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= 0.107 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-2.8) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.407 0.558 0.194 1.00 45.13 N ATOM 2 CA MET A 1 1.997 0.253 -1.105 1.00 22.32 C ATOM 3 C MET A 1 1.149 0.828 -2.235 1.00 60.01 C ATOM 4 O MET A 1 1.565 1.757 -2.927 1.00 15.42 O ATOM 5 CB MET A 1 2.143 -1.260 -1.280 1.00 71.13 C ATOM 6 CG MET A 1 3.582 -1.715 -1.464 1.00 13.53 C ATOM 7 SD MET A 1 3.946 -2.193 -3.165 1.00 44.03 S ATOM 8 CE MET A 1 4.325 -3.931 -2.953 1.00 62.12 C ATOM 0 H1 MET A 1 2.001 0.157 0.948 1.00 45.13 H new ATOM 0 H2 MET A 1 1.345 1.589 0.314 1.00 45.13 H new ATOM 0 H3 MET A 1 0.454 0.145 0.248 1.00 45.13 H new ATOM 0 HA MET A 1 2.984 0.713 -1.145 1.00 22.32 H new ATOM 0 HB2 MET A 1 1.721 -1.761 -0.409 1.00 71.13 H new ATOM 0 HB3 MET A 1 1.558 -1.576 -2.144 1.00 71.13 H new ATOM 0 HG2 MET A 1 4.254 -0.911 -1.165 1.00 13.53 H new ATOM 0 HG3 MET A 1 3.780 -2.559 -0.803 1.00 13.53 H new ATOM 0 HE1 MET A 1 4.571 -4.370 -3.920 1.00 62.12 H new ATOM 0 HE2 MET A 1 5.174 -4.039 -2.278 1.00 62.12 H new ATOM 0 HE3 MET A 1 3.460 -4.443 -2.532 1.00 62.12 H new ATOM 18 N LYS A 2 -0.043 0.268 -2.418 1.00 43.02 N ATOM 19 CA LYS A 2 -0.951 0.726 -3.464 1.00 24.01 C ATOM 20 C LYS A 2 -2.402 0.631 -3.004 1.00 21.24 C ATOM 21 O LYS A 2 -2.974 -0.457 -2.939 1.00 41.40 O ATOM 22 CB LYS A 2 -0.753 -0.101 -4.736 1.00 42.41 C ATOM 23 CG LYS A 2 0.447 0.330 -5.562 1.00 13.34 C ATOM 24 CD LYS A 2 0.399 -0.254 -6.964 1.00 42.34 C ATOM 25 CE LYS A 2 1.276 -1.491 -7.082 1.00 74.33 C ATOM 26 NZ LYS A 2 1.049 -2.211 -8.365 1.00 51.53 N1+ ATOM 0 H LYS A 2 -0.402 -0.503 -1.856 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.724 1.770 -3.677 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.638 -1.150 -4.463 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.651 -0.028 -5.350 1.00 42.41 H new ATOM 0 HG2 LYS A 2 0.477 1.418 -5.621 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.364 0.012 -5.066 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.630 -0.510 -7.218 1.00 42.34 H new ATOM 0 HD3 LYS A 2 0.727 0.496 -7.683 1.00 42.34 H new ATOM 0 HE2 LYS A 2 2.324 -1.201 -7.009 1.00 74.33 H new ATOM 0 HE3 LYS A 2 1.072 -2.162 -6.248 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 1.665 -3.048 -8.407 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 0.055 -2.510 -8.424 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 1.268 -1.579 -9.161 1.00 51.53 H new ATOM 40 N THR A 3 -2.993 1.779 -2.686 1.00 15.52 N ATOM 41 CA THR A 3 -4.378 1.825 -2.232 1.00 53.32 C ATOM 42 C THR A 3 -5.302 1.120 -3.217 1.00 71.41 C ATOM 43 O THR A 3 -6.352 0.601 -2.835 1.00 32.43 O ATOM 44 CB THR A 3 -4.858 3.277 -2.043 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.809 4.188 -2.386 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.297 3.518 -0.607 1.00 15.42 C ATOM 0 H THR A 3 -2.534 2.689 -2.734 1.00 15.52 H new ATOM 0 HA THR A 3 -4.415 1.310 -1.272 1.00 53.32 H new ATOM 0 HB THR A 3 -5.712 3.443 -2.700 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.123 5.109 -2.265 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.632 4.549 -0.497 1.00 15.42 H new ATOM 0 HG22 THR A 3 -6.116 2.842 -0.359 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.459 3.335 0.065 1.00 15.42 H new ATOM 54 N ILE A 4 -4.907 1.103 -4.486 1.00 72.43 N ATOM 55 CA ILE A 4 -5.701 0.460 -5.525 1.00 30.21 C ATOM 56 C ILE A 4 -5.859 -1.032 -5.251 1.00 53.51 C ATOM 57 O ILE A 4 -6.826 -1.656 -5.691 1.00 24.42 O ATOM 58 CB ILE A 4 -5.069 0.652 -6.917 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.688 -0.006 -6.968 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.969 2.131 -7.254 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.632 -1.224 -7.864 1.00 71.24 C ATOM 0 H ILE A 4 -4.041 1.528 -4.819 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.682 0.935 -5.513 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.708 0.173 -7.659 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.959 0.725 -7.316 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.394 -0.294 -5.959 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.521 2.250 -8.240 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.966 2.573 -7.253 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.349 2.632 -6.511 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.624 -1.639 -7.852 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.337 -1.973 -7.504 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.895 -0.939 -8.883 1.00 71.24 H new ATOM 73 N LEU A 5 -4.904 -1.598 -4.522 1.00 20.13 N ATOM 74 CA LEU A 5 -4.937 -3.017 -4.187 1.00 54.31 C ATOM 75 C LEU A 5 -6.226 -3.374 -3.454 1.00 41.10 C ATOM 76 O LEU A 5 -6.867 -4.380 -3.759 1.00 54.45 O ATOM 77 CB LEU A 5 -3.728 -3.387 -3.326 1.00 10.23 C ATOM 78 CG LEU A 5 -2.355 -3.131 -3.949 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.266 -3.200 -2.891 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.082 -4.130 -5.064 1.00 23.34 C ATOM 0 H LEU A 5 -4.097 -1.096 -4.151 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.900 -3.585 -5.117 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.790 -2.830 -2.391 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.798 -4.445 -3.073 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.353 -2.128 -4.377 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.297 -3.015 -3.354 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.453 -2.446 -2.127 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.266 -4.189 -2.432 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.101 -3.934 -5.496 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.104 -5.142 -4.659 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.845 -4.031 -5.836 1.00 23.34 H new ATOM 92 N ARG A 6 -6.601 -2.542 -2.489 1.00 71.11 N ATOM 93 CA ARG A 6 -7.814 -2.769 -1.713 1.00 53.00 C ATOM 94 C ARG A 6 -9.029 -2.898 -2.628 1.00 15.40 C ATOM 95 O ARG A 6 -9.983 -3.610 -2.313 1.00 4.20 O ATOM 96 CB ARG A 6 -8.031 -1.627 -0.718 1.00 71.24 C ATOM 97 CG ARG A 6 -7.190 -1.748 0.542 1.00 71.42 C ATOM 98 CD ARG A 6 -6.801 -0.383 1.086 1.00 1.32 C ATOM 99 NE ARG A 6 -5.397 -0.331 1.483 1.00 13.11 N ATOM 100 CZ ARG A 6 -4.931 -0.857 2.610 1.00 74.41 C ATOM 101 NH1 ARG A 6 -5.754 -1.471 3.448 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -3.640 -0.769 2.901 1.00 75.54 N ATOM 0 H ARG A 6 -6.082 -1.704 -2.225 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.693 -3.702 -1.163 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.801 -0.681 -1.208 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.084 -1.594 -0.440 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.747 -2.298 1.301 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.290 -2.325 0.326 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -6.992 0.377 0.328 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -7.429 -0.142 1.944 1.00 1.32 H new ATOM 0 HE ARG A 6 -4.737 0.135 0.860 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -6.748 -1.540 3.228 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -5.394 -1.874 4.313 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -3.004 -0.297 2.259 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -3.284 -1.173 3.767 1.00 75.54 H new ATOM 116 N PHE A 7 -8.985 -2.204 -3.760 1.00 62.32 N ATOM 117 CA PHE A 7 -10.083 -2.241 -4.721 1.00 71.51 C ATOM 118 C PHE A 7 -10.100 -3.565 -5.477 1.00 5.41 C ATOM 119 O PHE A 7 -11.075 -4.315 -5.417 1.00 43.40 O ATOM 120 CB PHE A 7 -9.962 -1.078 -5.709 1.00 55.54 C ATOM 121 CG PHE A 7 -10.084 0.273 -5.063 1.00 32.55 C ATOM 122 CD1 PHE A 7 -9.021 0.820 -4.364 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.263 0.995 -5.156 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.132 2.062 -3.769 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.380 2.238 -4.563 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.312 2.773 -3.869 1.00 22.42 C ATOM 0 H PHE A 7 -8.203 -1.610 -4.035 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.019 -2.146 -4.170 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -9.000 -1.143 -6.218 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.734 -1.178 -6.472 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.095 0.270 -4.283 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.100 0.582 -5.698 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.296 2.477 -3.226 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.305 2.790 -4.642 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.399 3.745 -3.406 1.00 22.42 H new ATOM 136 N VAL A 8 -9.014 -3.848 -6.190 1.00 53.12 N ATOM 137 CA VAL A 8 -8.903 -5.083 -6.958 1.00 31.45 C ATOM 138 C VAL A 8 -9.074 -6.304 -6.062 1.00 55.51 C ATOM 139 O VAL A 8 -9.550 -7.350 -6.505 1.00 51.14 O ATOM 140 CB VAL A 8 -7.547 -5.174 -7.680 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.419 -5.358 -6.677 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.559 -6.308 -8.694 1.00 55.23 C ATOM 0 H VAL A 8 -8.198 -3.239 -6.252 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.701 -5.067 -7.701 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.377 -4.240 -8.215 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.468 -5.420 -7.206 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.399 -4.510 -5.993 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.581 -6.276 -6.112 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.592 -6.358 -9.195 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.752 -7.251 -8.183 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.341 -6.128 -9.431 1.00 55.23 H new ATOM 152 N ALA A 9 -8.682 -6.165 -4.800 1.00 65.43 N ATOM 153 CA ALA A 9 -8.793 -7.256 -3.840 1.00 41.13 C ATOM 154 C ALA A 9 -10.232 -7.752 -3.737 1.00 25.11 C ATOM 155 O ALA A 9 -10.479 -8.896 -3.357 1.00 71.55 O ATOM 156 CB ALA A 9 -8.287 -6.813 -2.476 1.00 42.33 C ATOM 0 H ALA A 9 -8.284 -5.307 -4.418 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.176 -8.082 -4.193 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.376 -7.638 -1.769 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.242 -6.514 -2.555 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.880 -5.969 -2.125 1.00 42.33 H new ATOM 162 N GLY A 10 -11.179 -6.883 -4.079 1.00 61.41 N ATOM 163 CA GLY A 10 -12.581 -7.251 -4.017 1.00 25.11 C ATOM 164 C GLY A 10 -13.057 -7.936 -5.283 1.00 3.31 C ATOM 165 O GLY A 10 -13.944 -8.789 -5.240 1.00 52.42 O ATOM 0 H GLY A 10 -11.000 -5.931 -4.398 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.742 -7.913 -3.166 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.181 -6.358 -3.843 1.00 25.11 H new ATOM 169 N TYR A 11 -12.468 -7.561 -6.413 1.00 42.22 N ATOM 170 CA TYR A 11 -12.841 -8.143 -7.698 1.00 72.35 C ATOM 171 C TYR A 11 -12.692 -9.661 -7.672 1.00 14.31 C ATOM 172 O TYR A 11 -13.598 -10.391 -8.073 1.00 43.11 O ATOM 173 CB TYR A 11 -11.980 -7.553 -8.817 1.00 61.03 C ATOM 174 CG TYR A 11 -12.235 -8.178 -10.169 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.528 -8.442 -10.603 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.181 -8.503 -11.015 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.766 -9.013 -11.838 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.409 -9.074 -12.253 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.704 -9.327 -12.659 1.00 64.34 C ATOM 180 OH TYR A 11 -12.936 -9.895 -13.891 1.00 61.13 O ATOM 0 H TYR A 11 -11.731 -6.858 -6.466 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.887 -7.902 -7.888 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.166 -6.481 -8.881 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -10.928 -7.679 -8.560 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.362 -8.196 -9.963 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.167 -8.306 -10.700 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.778 -9.212 -12.158 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.579 -9.321 -12.899 1.00 4.31 H new ATOM 0 HH TYR A 11 -12.082 -10.053 -14.344 1.00 61.13 H new ATOM 190 N ASP A 12 -11.543 -10.127 -7.196 1.00 65.02 N ATOM 191 CA ASP A 12 -11.275 -11.559 -7.116 1.00 75.54 C ATOM 192 C ASP A 12 -12.355 -12.270 -6.308 1.00 41.32 C ATOM 193 O ASP A 12 -12.637 -13.448 -6.531 1.00 63.40 O ATOM 194 CB ASP A 12 -9.903 -11.807 -6.486 1.00 50.20 C ATOM 195 CG ASP A 12 -9.347 -13.175 -6.831 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.573 -13.639 -7.968 1.00 0.04 O ATOM 197 OD2 ASP A 12 -8.685 -13.782 -5.962 1.00 71.04 O1- ATOM 0 H ASP A 12 -10.783 -9.536 -6.860 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.280 -11.962 -8.129 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.207 -11.039 -6.824 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -9.981 -11.712 -5.403 1.00 50.20 H new ATOM 202 N ILE A 13 -12.956 -11.548 -5.369 1.00 22.04 N ATOM 203 CA ILE A 13 -14.006 -12.111 -4.528 1.00 12.43 C ATOM 204 C ILE A 13 -15.363 -12.035 -5.219 1.00 51.45 C ATOM 205 O ILE A 13 -16.199 -12.924 -5.065 1.00 22.14 O ATOM 206 CB ILE A 13 -14.091 -11.384 -3.172 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.706 -11.296 -2.529 1.00 34.34 C ATOM 208 CG2 ILE A 13 -15.066 -12.098 -2.249 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.078 -12.646 -2.260 1.00 32.12 C ATOM 0 H ILE A 13 -12.734 -10.572 -5.171 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.747 -13.156 -4.355 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.457 -10.371 -3.341 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.048 -10.721 -3.181 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.784 -10.747 -1.591 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.115 -11.573 -1.295 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -16.055 -12.113 -2.706 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.727 -13.121 -2.083 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.098 -12.507 -1.804 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.716 -13.216 -1.584 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.968 -13.189 -3.198 1.00 32.12 H new ATOM 221 N ALA A 14 -15.574 -10.967 -5.981 1.00 52.22 N ATOM 222 CA ALA A 14 -16.828 -10.777 -6.699 1.00 55.53 C ATOM 223 C ALA A 14 -16.960 -11.773 -7.847 1.00 42.14 C ATOM 224 O ALA A 14 -18.067 -12.101 -8.273 1.00 70.44 O ATOM 225 CB ALA A 14 -16.927 -9.352 -7.220 1.00 43.50 C ATOM 0 H ALA A 14 -14.893 -10.220 -6.117 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.647 -10.955 -6.002 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.869 -9.224 -7.754 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.887 -8.655 -6.383 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.096 -9.154 -7.897 1.00 43.50 H new ATOM 231 N SER A 15 -15.823 -12.248 -8.345 1.00 12.33 N ATOM 232 CA SER A 15 -15.811 -13.203 -9.447 1.00 20.03 C ATOM 233 C SER A 15 -16.716 -14.394 -9.144 1.00 21.21 C ATOM 234 O SER A 15 -17.495 -14.829 -9.993 1.00 23.43 O ATOM 235 CB SER A 15 -14.385 -13.687 -9.716 1.00 21.01 C ATOM 236 OG SER A 15 -14.372 -14.720 -10.685 1.00 30.13 O ATOM 0 H SER A 15 -14.898 -11.987 -8.003 1.00 12.33 H new ATOM 0 HA SER A 15 -16.189 -12.698 -10.336 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.773 -12.853 -10.061 1.00 21.01 H new ATOM 0 HB3 SER A 15 -13.939 -14.048 -8.789 1.00 21.01 H new ATOM 0 HG SER A 15 -13.449 -15.011 -10.840 1.00 30.13 H new ATOM 242 N HIS A 16 -16.607 -14.916 -7.927 1.00 53.24 N ATOM 243 CA HIS A 16 -17.415 -16.057 -7.509 1.00 35.24 C ATOM 244 C HIS A 16 -18.663 -15.595 -6.763 1.00 4.32 C ATOM 245 O HIS A 16 -19.742 -16.168 -6.921 1.00 21.51 O ATOM 246 CB HIS A 16 -16.593 -16.994 -6.623 1.00 4.42 C ATOM 247 CG HIS A 16 -16.095 -16.346 -5.369 1.00 62.13 C ATOM 248 ND1 HIS A 16 -16.766 -16.419 -4.166 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.982 -15.613 -5.133 1.00 31.25 C ATOM 250 CE1 HIS A 16 -16.089 -15.757 -3.246 1.00 21.44 C ATOM 251 NE2 HIS A 16 -15.002 -15.258 -3.807 1.00 3.45 N ATOM 0 H HIS A 16 -15.968 -14.568 -7.213 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.727 -16.597 -8.403 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -17.202 -17.858 -6.359 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -15.742 -17.366 -7.193 1.00 4.42 H new ATOM 0 HD1 HIS A 16 -17.648 -16.908 -4.011 1.00 61.22 H new ATOM 0 HD2 HIS A 16 -14.220 -15.355 -5.854 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -16.375 -15.643 -2.211 1.00 21.44 H new ATOM 259 N LYS A 17 -18.509 -14.557 -5.950 1.00 61.21 N ATOM 260 CA LYS A 17 -19.622 -14.016 -5.179 1.00 22.12 C ATOM 261 C LYS A 17 -20.691 -13.437 -6.099 1.00 0.25 C ATOM 262 O LYS A 17 -21.755 -14.031 -6.282 1.00 10.32 O ATOM 263 CB LYS A 17 -19.125 -12.936 -4.214 1.00 44.13 C ATOM 264 CG LYS A 17 -18.370 -13.489 -3.018 1.00 25.14 C ATOM 265 CD LYS A 17 -18.972 -13.011 -1.708 1.00 21.12 C ATOM 266 CE LYS A 17 -18.178 -13.515 -0.513 1.00 41.30 C ATOM 267 NZ LYS A 17 -18.441 -14.956 -0.241 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.623 -14.072 -5.807 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.064 -14.831 -4.606 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -18.476 -12.247 -4.756 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.978 -12.358 -3.859 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -18.384 -14.578 -3.050 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -17.325 -13.182 -3.073 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -18.999 -11.921 -1.695 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -20.003 -13.356 -1.633 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -17.114 -13.368 -0.696 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -18.434 -12.926 0.368 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -17.882 -15.262 0.581 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -19.452 -15.093 -0.041 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -18.173 -15.521 -1.072 1.00 5.43 H new ATOM 281 N LYS A 18 -20.403 -12.276 -6.677 1.00 52.14 N ATOM 282 CA LYS A 18 -21.338 -11.618 -7.582 1.00 54.44 C ATOM 283 C LYS A 18 -20.612 -11.048 -8.795 1.00 32.34 C ATOM 284 O LYS A 18 -20.028 -9.965 -8.730 1.00 34.21 O ATOM 285 CB LYS A 18 -22.087 -10.502 -6.851 1.00 42.22 C ATOM 286 CG LYS A 18 -23.408 -10.948 -6.248 1.00 44.35 C ATOM 287 CD LYS A 18 -23.353 -10.958 -4.729 1.00 64.32 C ATOM 288 CE LYS A 18 -23.471 -9.553 -4.158 1.00 31.44 C ATOM 289 NZ LYS A 18 -24.459 -9.487 -3.047 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.528 -11.771 -6.535 1.00 52.14 H new ATOM 0 HA LYS A 18 -22.055 -12.363 -7.928 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -21.451 -10.108 -6.059 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -22.273 -9.684 -7.547 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -24.204 -10.281 -6.580 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -23.656 -11.946 -6.611 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -24.159 -11.579 -4.339 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -22.416 -11.408 -4.401 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -22.496 -9.225 -3.797 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -23.767 -8.863 -4.949 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -24.510 -8.513 -2.685 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -25.395 -9.776 -3.397 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -24.164 -10.126 -2.281 1.00 32.22 H new ATOM 303 N LYS A 19 -20.651 -11.781 -9.903 1.00 12.44 N ATOM 304 CA LYS A 19 -19.999 -11.347 -11.133 1.00 30.35 C ATOM 305 C LYS A 19 -21.026 -11.087 -12.230 1.00 22.33 C ATOM 306 O LYS A 19 -20.716 -10.477 -13.254 1.00 13.24 O ATOM 307 CB LYS A 19 -18.993 -12.402 -11.599 1.00 52.34 C ATOM 308 CG LYS A 19 -18.201 -11.984 -12.826 1.00 43.25 C ATOM 309 CD LYS A 19 -18.644 -12.748 -14.063 1.00 35.41 C ATOM 310 CE LYS A 19 -18.130 -14.180 -14.048 1.00 22.10 C ATOM 311 NZ LYS A 19 -18.065 -14.760 -15.417 1.00 2.42 N1+ ATOM 0 H LYS A 19 -21.128 -12.680 -9.974 1.00 12.44 H new ATOM 0 HA LYS A 19 -19.471 -10.416 -10.927 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -18.300 -12.617 -10.785 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -19.525 -13.328 -11.818 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -18.326 -10.914 -12.994 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -17.139 -12.157 -12.651 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -19.733 -12.752 -14.119 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -18.280 -12.239 -14.956 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -17.139 -14.205 -13.595 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -18.781 -14.793 -13.424 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -17.710 -15.736 -15.364 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -19.015 -14.759 -15.840 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -17.424 -14.190 -16.005 1.00 2.42 H new ATOM 325 N THR A 20 -22.252 -11.553 -12.009 1.00 74.11 N ATOM 326 CA THR A 20 -23.324 -11.369 -12.979 1.00 2.32 C ATOM 327 C THR A 20 -24.162 -10.140 -12.649 1.00 43.42 C ATOM 328 O THR A 20 -25.387 -10.164 -12.752 1.00 50.52 O ATOM 329 CB THR A 20 -24.245 -12.603 -13.038 1.00 75.53 C ATOM 330 OG1 THR A 20 -24.911 -12.777 -11.782 1.00 14.51 O ATOM 331 CG2 THR A 20 -23.451 -13.856 -13.374 1.00 11.21 C ATOM 0 H THR A 20 -22.526 -12.060 -11.168 1.00 74.11 H new ATOM 0 HA THR A 20 -22.850 -11.230 -13.950 1.00 2.32 H new ATOM 0 HB THR A 20 -24.984 -12.440 -13.822 1.00 75.53 H new ATOM 0 HG1 THR A 20 -25.496 -13.562 -11.828 1.00 14.51 H new ATOM 0 HG21 THR A 20 -24.123 -14.714 -13.410 1.00 11.21 H new ATOM 0 HG22 THR A 20 -22.969 -13.732 -14.344 1.00 11.21 H new ATOM 0 HG23 THR A 20 -22.692 -14.022 -12.610 1.00 11.21 H new ATOM 339 N GLY A 21 -23.491 -9.063 -12.250 1.00 32.30 N ATOM 340 CA GLY A 21 -24.190 -7.837 -11.910 1.00 50.33 C ATOM 341 C GLY A 21 -24.577 -7.777 -10.446 1.00 2.24 C ATOM 342 O GLY A 21 -23.923 -7.103 -9.651 1.00 35.14 O ATOM 0 H GLY A 21 -22.476 -9.018 -12.156 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -23.557 -6.983 -12.151 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -25.087 -7.752 -12.523 1.00 50.33 H new ATOM 346 N GLY A 22 -25.645 -8.485 -10.087 1.00 31.51 N ATOM 347 CA GLY A 22 -26.100 -8.493 -8.709 1.00 45.51 C ATOM 348 C GLY A 22 -27.125 -7.411 -8.431 1.00 10.31 C ATOM 349 O GLY A 22 -26.813 -6.222 -8.483 1.00 73.31 O ATOM 0 H GLY A 22 -26.202 -9.052 -10.726 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -26.532 -9.467 -8.478 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -25.245 -8.358 -8.046 1.00 45.51 H new ATOM 353 N TYR A 23 -28.353 -7.825 -8.136 1.00 71.54 N ATOM 354 CA TYR A 23 -29.429 -6.881 -7.852 1.00 55.03 C ATOM 355 C TYR A 23 -29.728 -6.831 -6.356 1.00 51.04 C ATOM 356 O TYR A 23 -29.452 -7.770 -5.609 1.00 40.24 O ATOM 357 CB TYR A 23 -30.692 -7.269 -8.623 1.00 51.42 C ATOM 358 CG TYR A 23 -30.466 -7.439 -10.109 1.00 14.11 C ATOM 359 CD1 TYR A 23 -29.932 -8.616 -10.620 1.00 31.13 C ATOM 360 CD2 TYR A 23 -30.787 -6.422 -11.000 1.00 54.44 C ATOM 361 CE1 TYR A 23 -29.725 -8.774 -11.976 1.00 4.11 C ATOM 362 CE2 TYR A 23 -30.584 -6.573 -12.358 1.00 73.33 C ATOM 363 CZ TYR A 23 -30.051 -7.751 -12.841 1.00 61.03 C ATOM 364 OH TYR A 23 -29.846 -7.905 -14.193 1.00 22.01 O ATOM 0 H TYR A 23 -28.628 -8.806 -8.087 1.00 71.54 H new ATOM 0 HA TYR A 23 -29.105 -5.891 -8.173 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -31.085 -8.200 -8.215 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -31.453 -6.505 -8.465 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -29.675 -9.420 -9.946 1.00 31.13 H new ATOM 0 HD2 TYR A 23 -31.202 -5.498 -10.625 1.00 54.44 H new ATOM 0 HE1 TYR A 23 -29.309 -9.695 -12.357 1.00 4.11 H new ATOM 0 HE2 TYR A 23 -30.841 -5.774 -13.038 1.00 73.33 H new ATOM 0 HH TYR A 23 -30.129 -7.092 -14.661 1.00 22.01 H new ATOM 374 N PRO A 24 -30.306 -5.707 -5.908 1.00 64.11 N ATOM 375 CA PRO A 24 -30.658 -5.505 -4.500 1.00 61.32 C ATOM 376 C PRO A 24 -31.815 -6.394 -4.057 1.00 73.43 C ATOM 377 O PRO A 24 -31.927 -6.744 -2.882 1.00 43.22 O ATOM 378 CB PRO A 24 -31.064 -4.031 -4.443 1.00 74.10 C ATOM 379 CG PRO A 24 -31.511 -3.708 -5.827 1.00 61.12 C ATOM 380 CD PRO A 24 -30.664 -4.547 -6.742 1.00 71.12 C ATOM 0 HA PRO A 24 -29.834 -5.760 -3.834 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -31.864 -3.868 -3.720 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -30.228 -3.401 -4.140 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -32.569 -3.934 -5.958 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -31.383 -2.647 -6.041 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -31.213 -4.848 -7.634 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -29.780 -4.006 -7.079 1.00 71.12 H new ATOM 388 N TRP A 25 -32.672 -6.756 -5.004 1.00 72.25 N ATOM 389 CA TRP A 25 -33.821 -7.605 -4.712 1.00 30.04 C ATOM 390 C TRP A 25 -33.704 -8.946 -5.428 1.00 53.24 C ATOM 391 O TRP A 25 -34.196 -9.964 -4.943 1.00 23.21 O ATOM 392 CB TRP A 25 -35.118 -6.905 -5.123 1.00 34.53 C ATOM 393 CG TRP A 25 -35.551 -7.231 -6.519 1.00 21.43 C ATOM 394 CD1 TRP A 25 -36.554 -8.083 -6.888 1.00 33.43 C ATOM 395 CD2 TRP A 25 -34.996 -6.712 -7.733 1.00 71.34 C ATOM 396 NE1 TRP A 25 -36.654 -8.125 -8.259 1.00 42.31 N ATOM 397 CE2 TRP A 25 -35.710 -7.293 -8.800 1.00 15.21 C ATOM 398 CE3 TRP A 25 -33.966 -5.813 -8.022 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -35.425 -7.002 -10.131 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -33.684 -5.526 -9.344 1.00 43.32 C ATOM 401 CH2 TRP A 25 -34.412 -6.117 -10.385 1.00 1.43 C ATOM 0 H TRP A 25 -32.593 -6.475 -5.981 1.00 72.25 H new ATOM 0 HA TRP A 25 -33.841 -7.788 -3.638 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -35.910 -7.187 -4.429 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -34.985 -5.827 -5.034 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -37.176 -8.641 -6.204 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -37.323 -8.685 -8.787 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -33.400 -5.351 -7.226 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -35.983 -7.458 -10.935 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -32.889 -4.834 -9.579 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -34.169 -5.870 -11.408 1.00 1.43 H new ATOM 412 N GLU A 26 -33.051 -8.939 -6.586 1.00 72.34 N ATOM 413 CA GLU A 26 -32.870 -10.155 -7.369 1.00 31.52 C ATOM 414 C GLU A 26 -31.468 -10.725 -7.174 1.00 33.20 C ATOM 415 O GLU A 26 -30.555 -10.434 -7.946 1.00 21.44 O ATOM 416 CB GLU A 26 -33.116 -9.874 -8.853 1.00 44.33 C ATOM 417 CG GLU A 26 -34.382 -10.518 -9.392 1.00 60.34 C ATOM 418 CD GLU A 26 -34.123 -11.387 -10.607 1.00 44.43 C ATOM 419 OE1 GLU A 26 -33.920 -10.827 -11.705 1.00 4.41 O1- ATOM 420 OE2 GLU A 26 -34.122 -12.627 -10.460 1.00 23.22 O ATOM 0 H GLU A 26 -32.639 -8.104 -7.002 1.00 72.34 H new ATOM 0 HA GLU A 26 -33.594 -10.891 -7.021 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -33.173 -8.796 -9.006 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -32.263 -10.232 -9.428 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -34.840 -11.122 -8.609 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -35.098 -9.739 -9.653 1.00 60.34 H new ATOM 427 N ARG A 27 -31.306 -11.537 -6.134 1.00 44.35 N ATOM 428 CA ARG A 27 -30.016 -12.148 -5.835 1.00 14.45 C ATOM 429 C ARG A 27 -30.155 -13.657 -5.664 1.00 63.40 C ATOM 430 O ARG A 27 -30.525 -14.139 -4.594 1.00 51.24 O ATOM 431 CB ARG A 27 -29.418 -11.533 -4.568 1.00 64.51 C ATOM 432 CG ARG A 27 -27.903 -11.422 -4.601 1.00 64.01 C ATOM 433 CD ARG A 27 -27.247 -12.790 -4.713 1.00 33.30 C ATOM 434 NE ARG A 27 -27.676 -13.691 -3.646 1.00 54.14 N ATOM 435 CZ ARG A 27 -27.368 -14.983 -3.608 1.00 4.33 C ATOM 436 NH1 ARG A 27 -26.633 -15.521 -4.570 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -27.796 -15.738 -2.604 1.00 42.52 N ATOM 0 H ARG A 27 -32.052 -11.787 -5.485 1.00 44.35 H new ATOM 0 HA ARG A 27 -29.348 -11.955 -6.675 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -29.843 -10.540 -4.421 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -29.711 -12.136 -3.709 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -27.601 -10.802 -5.445 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -27.554 -10.923 -3.697 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -27.490 -13.231 -5.680 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -26.163 -12.677 -4.678 1.00 33.30 H new ATOM 0 HE ARG A 27 -28.243 -13.308 -2.889 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -26.302 -14.943 -5.343 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -26.398 -16.513 -4.538 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -28.361 -15.326 -1.861 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -27.560 -16.730 -2.575 1.00 42.52 H new ATOM 451 N GLY A 28 -29.855 -14.399 -6.726 1.00 65.44 N ATOM 452 CA GLY A 28 -29.953 -15.846 -6.672 1.00 65.51 C ATOM 453 C GLY A 28 -29.213 -16.520 -7.810 1.00 63.23 C ATOM 454 O GLY A 28 -29.753 -16.681 -8.904 1.00 64.12 O ATOM 0 H GLY A 28 -29.546 -14.024 -7.623 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -29.552 -16.199 -5.722 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -31.003 -16.137 -6.702 1.00 65.51 H new ATOM 458 N LYS A 29 -27.970 -16.914 -7.554 1.00 32.43 N ATOM 459 CA LYS A 29 -27.152 -17.574 -8.565 1.00 50.03 C ATOM 460 C LYS A 29 -27.677 -18.975 -8.860 1.00 32.31 C ATOM 461 O LYS A 29 -27.567 -19.466 -9.982 1.00 52.13 O ATOM 462 CB LYS A 29 -25.695 -17.651 -8.101 1.00 52.24 C ATOM 463 CG LYS A 29 -25.500 -18.480 -6.843 1.00 1.10 C ATOM 464 CD LYS A 29 -24.041 -18.520 -6.422 1.00 42.12 C ATOM 465 CE LYS A 29 -23.313 -19.701 -7.048 1.00 31.11 C ATOM 466 NZ LYS A 29 -23.230 -20.858 -6.115 1.00 23.05 N1+ ATOM 0 H LYS A 29 -27.507 -16.788 -6.654 1.00 32.43 H new ATOM 0 HA LYS A 29 -27.205 -16.985 -9.481 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -25.089 -18.074 -8.902 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -25.326 -16.641 -7.921 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -26.101 -18.064 -6.035 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -25.858 -19.495 -7.016 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -23.551 -17.592 -6.716 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -23.976 -18.585 -5.336 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -23.829 -20.005 -7.959 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -22.308 -19.396 -7.338 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -22.727 -21.642 -6.578 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -22.715 -20.576 -5.257 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -24.189 -21.166 -5.858 1.00 23.05 H new ATOM 480 N ALA A 30 -28.250 -19.613 -7.845 1.00 52.51 N ATOM 481 CA ALA A 30 -28.796 -20.957 -7.996 1.00 34.32 C ATOM 482 C ALA A 30 -29.839 -21.250 -6.923 1.00 4.04 C ATOM 483 O ALA A 30 -31.036 -21.051 -7.136 1.00 72.01 O ATOM 484 CB ALA A 30 -27.679 -21.989 -7.947 1.00 45.32 C ATOM 0 H ALA A 30 -28.348 -19.221 -6.909 1.00 52.51 H new ATOM 0 HA ALA A 30 -29.287 -21.016 -8.967 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -28.101 -22.988 -8.061 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -26.973 -21.799 -8.755 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -27.162 -21.921 -6.990 1.00 45.32 H new TER 490 ALA A 30