USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=8 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 160:sc=-0.00628 (180deg=-0.436) 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= 0.112 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 64:sc= 0.743 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= -0.0734 (180deg=-0.744) 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 -46:sc= 0.737 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.0233 (180deg=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.528 0.774 -0.507 1.00 45.13 N ATOM 2 CA MET A 1 2.102 0.542 -1.828 1.00 22.32 C ATOM 3 C MET A 1 1.177 1.063 -2.922 1.00 60.01 C ATOM 4 O MET A 1 1.541 1.962 -3.681 1.00 15.42 O ATOM 5 CB MET A 1 2.369 -0.950 -2.035 1.00 71.13 C ATOM 6 CG MET A 1 3.843 -1.318 -1.984 1.00 13.53 C ATOM 7 SD MET A 1 4.129 -2.939 -1.247 1.00 44.03 S ATOM 8 CE MET A 1 2.956 -3.937 -2.161 1.00 62.12 C ATOM 0 H1 MET A 1 2.175 0.411 0.221 1.00 45.13 H new ATOM 0 H2 MET A 1 1.384 1.794 -0.365 1.00 45.13 H new ATOM 0 H3 MET A 1 0.614 0.282 -0.434 1.00 45.13 H new ATOM 0 HA MET A 1 3.046 1.084 -1.888 1.00 22.32 H new ATOM 0 HB2 MET A 1 1.835 -1.515 -1.271 1.00 71.13 H new ATOM 0 HB3 MET A 1 1.961 -1.253 -2.999 1.00 71.13 H new ATOM 0 HG2 MET A 1 4.252 -1.305 -2.994 1.00 13.53 H new ATOM 0 HG3 MET A 1 4.382 -0.563 -1.412 1.00 13.53 H new ATOM 0 HE1 MET A 1 3.241 -4.987 -2.093 1.00 62.12 H new ATOM 0 HE2 MET A 1 1.959 -3.803 -1.741 1.00 62.12 H new ATOM 0 HE3 MET A 1 2.953 -3.629 -3.207 1.00 62.12 H new ATOM 18 N LYS A 2 -0.020 0.492 -3.000 1.00 43.02 N ATOM 19 CA LYS A 2 -0.999 0.899 -4.001 1.00 24.01 C ATOM 20 C LYS A 2 -2.418 0.788 -3.453 1.00 21.24 C ATOM 21 O LYS A 2 -2.960 -0.310 -3.322 1.00 41.40 O ATOM 22 CB LYS A 2 -0.859 0.040 -5.259 1.00 42.41 C ATOM 23 CG LYS A 2 0.282 0.471 -6.167 1.00 13.34 C ATOM 24 CD LYS A 2 0.444 -0.475 -7.344 1.00 42.34 C ATOM 25 CE LYS A 2 1.849 -0.405 -7.924 1.00 74.33 C ATOM 26 NZ LYS A 2 2.119 -1.533 -8.859 1.00 51.53 N1+ ATOM 0 H LYS A 2 -0.336 -0.255 -2.381 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.808 1.941 -4.256 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.706 -0.998 -4.965 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.793 0.078 -5.820 1.00 42.41 H new ATOM 0 HG2 LYS A 2 0.096 1.481 -6.533 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.210 0.505 -5.596 1.00 13.34 H new ATOM 0 HD2 LYS A 2 0.231 -1.495 -7.025 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.283 -0.225 -8.117 1.00 42.34 H new ATOM 0 HE2 LYS A 2 1.979 0.541 -8.449 1.00 74.33 H new ATOM 0 HE3 LYS A 2 2.578 -0.422 -7.114 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 3.086 -1.450 -9.233 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 2.020 -2.436 -8.352 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 1.440 -1.502 -9.646 1.00 51.53 H new ATOM 40 N THR A 3 -3.014 1.932 -3.132 1.00 15.52 N ATOM 41 CA THR A 3 -4.370 1.963 -2.597 1.00 53.32 C ATOM 42 C THR A 3 -5.336 1.209 -3.504 1.00 71.41 C ATOM 43 O THR A 3 -6.348 0.679 -3.045 1.00 32.43 O ATOM 44 CB THR A 3 -4.872 3.408 -2.422 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.866 4.332 -2.853 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.231 3.684 -0.969 1.00 15.42 C ATOM 0 H THR A 3 -2.579 2.849 -3.233 1.00 15.52 H new ATOM 0 HA THR A 3 -4.336 1.477 -1.622 1.00 53.32 H new ATOM 0 HB THR A 3 -5.767 3.534 -3.032 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.194 5.249 -2.740 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.583 4.711 -0.870 1.00 15.42 H new ATOM 0 HG22 THR A 3 -6.017 2.999 -0.652 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.350 3.540 -0.343 1.00 15.42 H new ATOM 54 N ILE A 4 -5.017 1.165 -4.793 1.00 72.43 N ATOM 55 CA ILE A 4 -5.857 0.473 -5.764 1.00 30.21 C ATOM 56 C ILE A 4 -5.964 -1.013 -5.437 1.00 53.51 C ATOM 57 O ILE A 4 -6.943 -1.670 -5.799 1.00 24.42 O ATOM 58 CB ILE A 4 -5.312 0.634 -7.195 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.923 0.004 -7.310 1.00 64.31 C ATOM 60 CG2 ILE A 4 -5.266 2.105 -7.582 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.893 -1.239 -8.171 1.00 71.24 C ATOM 0 H ILE A 4 -4.184 1.600 -5.189 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.846 0.928 -5.707 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.982 0.118 -7.883 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -3.233 0.739 -7.723 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.563 -0.246 -6.312 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.879 2.202 -8.596 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -6.271 2.525 -7.535 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.616 2.643 -6.892 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.877 -1.632 -8.208 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.558 -1.991 -7.747 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -4.223 -0.991 -9.180 1.00 71.24 H new ATOM 73 N LEU A 5 -4.955 -1.537 -4.751 1.00 20.13 N ATOM 74 CA LEU A 5 -4.936 -2.946 -4.373 1.00 54.31 C ATOM 75 C LEU A 5 -6.171 -3.306 -3.552 1.00 41.10 C ATOM 76 O LEU A 5 -6.807 -4.333 -3.787 1.00 54.45 O ATOM 77 CB LEU A 5 -3.670 -3.265 -3.578 1.00 10.23 C ATOM 78 CG LEU A 5 -2.344 -2.998 -4.291 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.191 -3.014 -3.300 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.117 -4.023 -5.393 1.00 23.34 C ATOM 0 H LEU A 5 -4.139 -1.008 -4.445 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.943 -3.541 -5.286 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.688 -2.683 -2.657 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.700 -4.316 -3.292 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.390 -2.008 -4.745 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.256 -2.822 -3.826 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.348 -2.242 -2.546 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.141 -3.989 -2.816 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.169 -3.819 -5.890 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.091 -5.023 -4.960 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.928 -3.963 -6.119 1.00 23.34 H new ATOM 92 N ARG A 6 -6.504 -2.453 -2.589 1.00 71.11 N ATOM 93 CA ARG A 6 -7.662 -2.680 -1.734 1.00 53.00 C ATOM 94 C ARG A 6 -8.926 -2.863 -2.568 1.00 15.40 C ATOM 95 O ARG A 6 -9.844 -3.584 -2.175 1.00 4.20 O ATOM 96 CB ARG A 6 -7.843 -1.512 -0.763 1.00 71.24 C ATOM 97 CG ARG A 6 -7.029 -1.649 0.513 1.00 71.42 C ATOM 98 CD ARG A 6 -7.202 -0.439 1.417 1.00 1.32 C ATOM 99 NE ARG A 6 -7.158 -0.801 2.831 1.00 13.11 N ATOM 100 CZ ARG A 6 -7.246 0.083 3.819 1.00 74.41 C ATOM 101 NH1 ARG A 6 -7.383 1.374 3.548 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -7.198 -0.324 5.081 1.00 75.54 N ATOM 0 H ARG A 6 -5.988 -1.598 -2.382 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.488 -3.593 -1.164 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.562 -0.586 -1.265 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -8.898 -1.427 -0.503 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.335 -2.549 1.046 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -5.975 -1.769 0.262 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -6.418 0.287 1.204 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -8.153 0.045 1.196 1.00 1.32 H new ATOM 0 HE ARG A 6 -7.054 -1.786 3.073 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -7.421 1.690 2.579 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -7.450 2.050 4.308 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -7.093 -1.316 5.293 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -7.266 0.355 5.839 1.00 75.54 H new ATOM 116 N PHE A 7 -8.968 -2.204 -3.722 1.00 62.32 N ATOM 117 CA PHE A 7 -10.120 -2.292 -4.612 1.00 71.51 C ATOM 118 C PHE A 7 -10.155 -3.641 -5.325 1.00 5.41 C ATOM 119 O PHE A 7 -11.108 -4.407 -5.183 1.00 43.40 O ATOM 120 CB PHE A 7 -10.085 -1.159 -5.639 1.00 55.54 C ATOM 121 CG PHE A 7 -10.200 0.208 -5.029 1.00 32.55 C ATOM 122 CD1 PHE A 7 -9.109 0.800 -4.413 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.399 0.902 -5.068 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.212 2.058 -3.850 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.508 2.159 -4.507 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.413 2.739 -3.898 1.00 22.42 C ATOM 0 H PHE A 7 -8.217 -1.603 -4.062 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.023 -2.197 -4.008 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -9.154 -1.219 -6.203 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.898 -1.300 -6.351 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.168 0.272 -4.372 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.259 0.454 -5.543 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.354 2.508 -3.373 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.449 2.688 -4.545 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.495 3.723 -3.460 1.00 22.42 H new ATOM 136 N VAL A 8 -9.107 -3.923 -6.094 1.00 53.12 N ATOM 137 CA VAL A 8 -9.017 -5.178 -6.831 1.00 31.45 C ATOM 138 C VAL A 8 -9.102 -6.375 -5.890 1.00 55.51 C ATOM 139 O VAL A 8 -9.572 -7.446 -6.272 1.00 51.14 O ATOM 140 CB VAL A 8 -7.705 -5.263 -7.635 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.514 -5.396 -6.698 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.755 -6.427 -8.613 1.00 55.23 C ATOM 0 H VAL A 8 -8.310 -3.300 -6.222 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.860 -5.202 -7.521 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.588 -4.342 -8.206 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.596 -5.455 -7.283 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.470 -4.528 -6.040 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.621 -6.300 -6.099 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.821 -6.472 -9.173 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.895 -7.358 -8.064 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.586 -6.286 -9.305 1.00 55.23 H new ATOM 152 N ALA A 9 -8.646 -6.184 -4.656 1.00 65.43 N ATOM 153 CA ALA A 9 -8.673 -7.247 -3.659 1.00 41.13 C ATOM 154 C ALA A 9 -10.083 -7.803 -3.488 1.00 25.11 C ATOM 155 O ALA A 9 -10.263 -8.950 -3.083 1.00 71.55 O ATOM 156 CB ALA A 9 -8.140 -6.737 -2.328 1.00 42.33 C ATOM 0 H ALA A 9 -8.254 -5.303 -4.323 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.031 -8.056 -4.009 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.166 -7.542 -1.593 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.113 -6.394 -2.455 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.759 -5.909 -1.982 1.00 42.33 H new ATOM 162 N GLY A 10 -11.080 -6.981 -3.799 1.00 61.41 N ATOM 163 CA GLY A 10 -12.462 -7.409 -3.672 1.00 25.11 C ATOM 164 C GLY A 10 -12.982 -8.069 -4.934 1.00 3.31 C ATOM 165 O GLY A 10 -13.899 -8.888 -4.881 1.00 52.42 O ATOM 0 H GLY A 10 -10.956 -6.026 -4.137 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.548 -8.106 -2.839 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.086 -6.548 -3.433 1.00 25.11 H new ATOM 169 N TYR A 11 -12.398 -7.709 -6.071 1.00 42.22 N ATOM 170 CA TYR A 11 -12.812 -8.268 -7.353 1.00 72.35 C ATOM 171 C TYR A 11 -12.660 -9.787 -7.359 1.00 14.31 C ATOM 172 O TYR A 11 -13.516 -10.505 -7.877 1.00 43.11 O ATOM 173 CB TYR A 11 -11.989 -7.658 -8.489 1.00 61.03 C ATOM 174 CG TYR A 11 -12.324 -8.223 -9.851 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.643 -8.349 -10.267 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.321 -8.630 -10.721 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.954 -8.866 -11.510 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.623 -9.147 -11.967 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.941 -9.263 -12.356 1.00 64.34 C ATOM 180 OH TYR A 11 -13.246 -9.777 -13.596 1.00 61.13 O ATOM 0 H TYR A 11 -11.637 -7.033 -6.132 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.864 -8.025 -7.504 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.148 -6.580 -8.503 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -10.930 -7.821 -8.288 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.439 -8.037 -9.607 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.288 -8.541 -10.419 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.985 -8.959 -11.817 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.831 -9.458 -12.632 1.00 4.31 H new ATOM 0 HH TYR A 11 -12.418 -10.007 -14.067 1.00 61.13 H new ATOM 190 N ASP A 12 -11.567 -10.268 -6.778 1.00 65.02 N ATOM 191 CA ASP A 12 -11.302 -11.700 -6.715 1.00 75.54 C ATOM 192 C ASP A 12 -12.466 -12.439 -6.060 1.00 41.32 C ATOM 193 O ASP A 12 -12.737 -13.597 -6.380 1.00 63.40 O ATOM 194 CB ASP A 12 -10.011 -11.968 -5.940 1.00 50.20 C ATOM 195 CG ASP A 12 -9.545 -13.404 -6.071 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.125 -13.792 -7.181 1.00 71.04 O1- ATOM 197 OD2 ASP A 12 -9.600 -14.142 -5.064 1.00 0.04 O ATOM 0 H ASP A 12 -10.850 -9.687 -6.344 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.188 -12.069 -7.734 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.229 -11.301 -6.301 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -10.168 -11.735 -4.887 1.00 50.20 H new ATOM 202 N ILE A 13 -13.149 -11.762 -5.143 1.00 22.04 N ATOM 203 CA ILE A 13 -14.282 -12.355 -4.444 1.00 12.43 C ATOM 204 C ILE A 13 -15.574 -12.162 -5.229 1.00 51.45 C ATOM 205 O ILE A 13 -16.458 -13.018 -5.210 1.00 22.14 O ATOM 206 CB ILE A 13 -14.455 -11.750 -3.038 1.00 42.50 C ATOM 207 CG1 ILE A 13 -13.149 -11.860 -2.247 1.00 34.34 C ATOM 208 CG2 ILE A 13 -15.589 -12.444 -2.298 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.452 -10.534 -2.043 1.00 32.12 C ATOM 0 H ILE A 13 -12.938 -10.803 -4.867 1.00 22.04 H new ATOM 0 HA ILE A 13 -14.072 -13.420 -4.350 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.707 -10.695 -3.141 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -13.359 -12.304 -1.274 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.474 -12.539 -2.768 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.699 -12.005 -1.306 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -16.518 -12.318 -2.855 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -15.364 -13.506 -2.202 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.535 -10.689 -1.475 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.210 -10.097 -3.012 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -13.109 -9.858 -1.495 1.00 32.12 H new ATOM 221 N ALA A 14 -15.676 -11.033 -5.923 1.00 52.22 N ATOM 222 CA ALA A 14 -16.858 -10.730 -6.719 1.00 55.53 C ATOM 223 C ALA A 14 -16.926 -11.613 -7.961 1.00 42.14 C ATOM 224 O ALA A 14 -18.005 -11.870 -8.494 1.00 70.44 O ATOM 225 CB ALA A 14 -16.866 -9.261 -7.114 1.00 43.50 C ATOM 0 H ALA A 14 -14.954 -10.313 -5.950 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.738 -10.937 -6.110 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.755 -9.049 -7.708 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.874 -8.643 -6.216 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -15.975 -9.037 -7.701 1.00 43.50 H new ATOM 231 N SER A 15 -15.765 -12.074 -8.417 1.00 12.33 N ATOM 232 CA SER A 15 -15.692 -12.925 -9.599 1.00 20.03 C ATOM 233 C SER A 15 -16.554 -14.172 -9.425 1.00 21.21 C ATOM 234 O SER A 15 -17.126 -14.685 -10.387 1.00 23.43 O ATOM 235 CB SER A 15 -14.242 -13.328 -9.874 1.00 21.01 C ATOM 236 OG SER A 15 -13.458 -12.201 -10.226 1.00 30.13 O ATOM 0 H SER A 15 -14.863 -11.872 -7.986 1.00 12.33 H new ATOM 0 HA SER A 15 -16.072 -12.358 -10.449 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.820 -13.807 -8.990 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.212 -14.062 -10.679 1.00 21.01 H new ATOM 0 HG SER A 15 -13.418 -11.581 -9.468 1.00 30.13 H new ATOM 242 N HIS A 16 -16.642 -14.654 -8.189 1.00 53.24 N ATOM 243 CA HIS A 16 -17.434 -15.841 -7.887 1.00 35.24 C ATOM 244 C HIS A 16 -18.833 -15.455 -7.414 1.00 4.32 C ATOM 245 O HIS A 16 -19.825 -16.065 -7.812 1.00 21.51 O ATOM 246 CB HIS A 16 -16.739 -16.688 -6.820 1.00 4.42 C ATOM 247 CG HIS A 16 -15.707 -17.620 -7.375 1.00 62.13 C ATOM 248 ND1 HIS A 16 -16.023 -18.718 -8.148 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.358 -17.614 -7.267 1.00 31.25 C ATOM 250 CE1 HIS A 16 -14.913 -19.347 -8.490 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.888 -18.698 -7.968 1.00 3.45 N ATOM 0 H HIS A 16 -16.175 -14.241 -7.381 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.526 -16.427 -8.801 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -16.267 -16.027 -6.094 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -17.489 -17.268 -6.282 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -13.762 -16.891 -6.730 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -14.854 -20.240 -9.094 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.907 -18.959 -8.069 1.00 3.45 H new ATOM 259 N LYS A 17 -18.904 -14.437 -6.562 1.00 61.21 N ATOM 260 CA LYS A 17 -20.180 -13.969 -6.035 1.00 22.12 C ATOM 261 C LYS A 17 -21.156 -13.662 -7.166 1.00 0.25 C ATOM 262 O LYS A 17 -22.366 -13.836 -7.021 1.00 10.32 O ATOM 263 CB LYS A 17 -19.972 -12.721 -5.174 1.00 44.13 C ATOM 264 CG LYS A 17 -21.268 -12.080 -4.709 1.00 25.14 C ATOM 265 CD LYS A 17 -21.065 -11.270 -3.439 1.00 21.12 C ATOM 266 CE LYS A 17 -20.954 -12.169 -2.217 1.00 41.30 C ATOM 267 NZ LYS A 17 -19.546 -12.300 -1.750 1.00 5.43 N1+ ATOM 0 H LYS A 17 -18.093 -13.921 -6.222 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.603 -14.762 -5.419 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -19.375 -12.987 -4.302 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.398 -11.989 -5.742 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -21.658 -11.434 -5.495 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -22.015 -12.854 -4.533 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -20.162 -10.667 -3.531 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -21.898 -10.579 -3.310 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -21.567 -11.765 -1.412 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -21.351 -13.156 -2.455 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -19.331 -13.302 -1.573 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -18.903 -11.931 -2.479 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -19.420 -11.759 -0.871 1.00 5.43 H new ATOM 281 N LYS A 18 -20.623 -13.203 -8.293 1.00 52.14 N ATOM 282 CA LYS A 18 -21.446 -12.874 -9.451 1.00 54.44 C ATOM 283 C LYS A 18 -21.614 -14.086 -10.363 1.00 32.34 C ATOM 284 O LYS A 18 -21.082 -14.121 -11.472 1.00 34.21 O ATOM 285 CB LYS A 18 -20.822 -11.717 -10.234 1.00 42.22 C ATOM 286 CG LYS A 18 -21.690 -11.217 -11.375 1.00 44.35 C ATOM 287 CD LYS A 18 -20.857 -10.857 -12.595 1.00 64.32 C ATOM 288 CE LYS A 18 -20.041 -9.595 -12.360 1.00 31.44 C ATOM 289 NZ LYS A 18 -18.577 -9.859 -12.431 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.624 -13.050 -8.429 1.00 52.14 H new ATOM 0 HA LYS A 18 -22.430 -12.573 -9.091 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -20.624 -10.891 -9.550 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -19.860 -12.037 -10.634 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -22.417 -11.984 -11.643 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -22.254 -10.344 -11.048 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -20.189 -11.684 -12.838 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -21.512 -10.713 -13.455 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -20.311 -8.845 -13.103 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -20.288 -9.180 -11.383 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -18.056 -8.974 -12.266 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -18.314 -10.556 -11.705 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -18.337 -10.231 -13.372 1.00 32.22 H new ATOM 303 N LYS A 19 -22.358 -15.080 -9.887 1.00 12.44 N ATOM 304 CA LYS A 19 -22.600 -16.292 -10.659 1.00 30.35 C ATOM 305 C LYS A 19 -23.849 -16.149 -11.522 1.00 22.33 C ATOM 306 O LYS A 19 -24.086 -16.949 -12.428 1.00 13.24 O ATOM 307 CB LYS A 19 -22.748 -17.495 -9.723 1.00 52.34 C ATOM 308 CG LYS A 19 -22.627 -18.834 -10.430 1.00 43.25 C ATOM 309 CD LYS A 19 -23.950 -19.580 -10.441 1.00 35.41 C ATOM 310 CE LYS A 19 -24.374 -19.983 -9.036 1.00 22.10 C ATOM 311 NZ LYS A 19 -25.433 -21.030 -9.054 1.00 2.42 N1+ ATOM 0 H LYS A 19 -22.804 -15.069 -8.970 1.00 12.44 H new ATOM 0 HA LYS A 19 -21.744 -16.452 -11.315 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -21.988 -17.435 -8.944 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -23.717 -17.442 -9.227 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -22.289 -18.676 -11.454 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -21.870 -19.441 -9.934 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -24.720 -18.951 -10.888 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -23.862 -20.469 -11.065 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -23.508 -20.352 -8.487 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -24.740 -19.106 -8.502 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -25.694 -21.277 -8.078 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -26.270 -20.669 -9.555 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -25.076 -21.877 -9.541 1.00 2.42 H new ATOM 325 N THR A 20 -24.646 -15.124 -11.236 1.00 74.11 N ATOM 326 CA THR A 20 -25.871 -14.876 -11.986 1.00 2.32 C ATOM 327 C THR A 20 -26.039 -13.392 -12.288 1.00 43.42 C ATOM 328 O THR A 20 -27.141 -12.928 -12.576 1.00 50.52 O ATOM 329 CB THR A 20 -27.110 -15.375 -11.219 1.00 75.53 C ATOM 330 OG1 THR A 20 -28.263 -15.327 -12.067 1.00 14.51 O ATOM 331 CG2 THR A 20 -27.353 -14.534 -9.975 1.00 11.21 C ATOM 0 H THR A 20 -24.465 -14.452 -10.490 1.00 74.11 H new ATOM 0 HA THR A 20 -25.786 -15.428 -12.922 1.00 2.32 H new ATOM 0 HB THR A 20 -26.928 -16.405 -10.911 1.00 75.53 H new ATOM 0 HG1 THR A 20 -28.290 -14.465 -12.533 1.00 14.51 H new ATOM 0 HG21 THR A 20 -28.233 -14.906 -9.451 1.00 11.21 H new ATOM 0 HG22 THR A 20 -26.486 -14.597 -9.318 1.00 11.21 H new ATOM 0 HG23 THR A 20 -27.515 -13.495 -10.264 1.00 11.21 H new ATOM 339 N GLY A 21 -24.937 -12.649 -12.222 1.00 32.30 N ATOM 340 CA GLY A 21 -24.984 -11.225 -12.491 1.00 50.33 C ATOM 341 C GLY A 21 -25.460 -10.424 -11.296 1.00 2.24 C ATOM 342 O GLY A 21 -24.660 -10.018 -10.454 1.00 35.14 O ATOM 0 H GLY A 21 -24.012 -13.010 -11.987 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -23.992 -10.881 -12.783 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -25.647 -11.040 -13.336 1.00 50.33 H new ATOM 346 N GLY A 22 -26.768 -10.193 -11.222 1.00 31.51 N ATOM 347 CA GLY A 22 -27.326 -9.435 -10.118 1.00 45.51 C ATOM 348 C GLY A 22 -27.515 -7.969 -10.459 1.00 10.31 C ATOM 349 O GLY A 22 -27.357 -7.100 -9.601 1.00 73.31 O ATOM 0 H GLY A 22 -27.450 -10.518 -11.907 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -28.286 -9.866 -9.834 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -26.669 -9.522 -9.253 1.00 45.51 H new ATOM 353 N TYR A 23 -27.852 -7.694 -11.714 1.00 71.54 N ATOM 354 CA TYR A 23 -28.059 -6.324 -12.166 1.00 55.03 C ATOM 355 C TYR A 23 -29.444 -6.157 -12.784 1.00 51.04 C ATOM 356 O TYR A 23 -30.062 -7.113 -13.253 1.00 40.24 O ATOM 357 CB TYR A 23 -26.985 -5.933 -13.183 1.00 51.42 C ATOM 358 CG TYR A 23 -25.573 -6.157 -12.690 1.00 14.11 C ATOM 359 CD1 TYR A 23 -24.993 -7.419 -12.735 1.00 54.44 C ATOM 360 CD2 TYR A 23 -24.821 -5.108 -12.177 1.00 31.13 C ATOM 361 CE1 TYR A 23 -23.704 -7.629 -12.285 1.00 73.33 C ATOM 362 CE2 TYR A 23 -23.531 -5.309 -11.725 1.00 4.11 C ATOM 363 CZ TYR A 23 -22.977 -6.571 -11.781 1.00 61.03 C ATOM 364 OH TYR A 23 -21.693 -6.775 -11.331 1.00 22.01 O ATOM 0 H TYR A 23 -27.988 -8.402 -12.436 1.00 71.54 H new ATOM 0 HA TYR A 23 -27.986 -5.668 -11.299 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -27.137 -6.506 -14.097 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -27.108 -4.881 -13.442 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -25.560 -8.250 -13.129 1.00 54.44 H new ATOM 0 HD2 TYR A 23 -25.252 -4.119 -12.131 1.00 31.13 H new ATOM 0 HE1 TYR A 23 -23.268 -8.616 -12.328 1.00 73.33 H new ATOM 0 HE2 TYR A 23 -22.959 -4.482 -11.330 1.00 4.11 H new ATOM 0 HH TYR A 23 -21.321 -5.928 -11.009 1.00 22.01 H new ATOM 374 N PRO A 24 -29.945 -4.913 -12.785 1.00 64.11 N ATOM 375 CA PRO A 24 -31.262 -4.589 -13.342 1.00 61.32 C ATOM 376 C PRO A 24 -31.293 -4.708 -14.862 1.00 73.43 C ATOM 377 O PRO A 24 -32.341 -4.971 -15.452 1.00 43.22 O ATOM 378 CB PRO A 24 -31.480 -3.136 -12.915 1.00 74.10 C ATOM 379 CG PRO A 24 -30.109 -2.583 -12.735 1.00 61.12 C ATOM 380 CD PRO A 24 -29.263 -3.725 -12.242 1.00 71.12 C ATOM 0 HA PRO A 24 -32.034 -5.272 -12.987 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -32.035 -2.580 -13.671 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -32.055 -3.077 -11.991 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -29.722 -2.187 -13.674 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -30.111 -1.761 -12.019 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -28.237 -3.650 -12.603 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -29.217 -3.750 -11.153 1.00 71.12 H new ATOM 388 N TRP A 25 -30.139 -4.513 -15.489 1.00 72.25 N ATOM 389 CA TRP A 25 -30.035 -4.600 -16.942 1.00 30.04 C ATOM 390 C TRP A 25 -29.142 -5.764 -17.355 1.00 53.24 C ATOM 391 O TRP A 25 -29.334 -6.358 -18.417 1.00 23.21 O ATOM 392 CB TRP A 25 -29.484 -3.291 -17.513 1.00 34.53 C ATOM 393 CG TRP A 25 -27.993 -3.288 -17.659 1.00 21.43 C ATOM 394 CD1 TRP A 25 -27.282 -3.438 -18.816 1.00 33.43 C ATOM 395 CD2 TRP A 25 -27.030 -3.127 -16.611 1.00 71.34 C ATOM 396 NE1 TRP A 25 -25.936 -3.382 -18.550 1.00 42.31 N ATOM 397 CE2 TRP A 25 -25.754 -3.190 -17.206 1.00 15.21 C ATOM 398 CE3 TRP A 25 -27.121 -2.934 -15.230 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -24.581 -3.068 -16.465 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -25.956 -2.813 -14.497 1.00 43.32 C ATOM 401 CH2 TRP A 25 -24.700 -2.880 -15.115 1.00 1.43 C ATOM 0 H TRP A 25 -29.263 -4.294 -15.015 1.00 72.25 H new ATOM 0 HA TRP A 25 -31.034 -4.772 -17.344 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -29.938 -3.108 -18.487 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -29.780 -2.467 -16.864 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -27.715 -3.580 -19.795 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -25.192 -3.469 -19.242 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -28.084 -2.880 -14.745 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -23.612 -3.120 -16.939 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -26.014 -2.664 -13.429 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -23.808 -2.781 -14.514 1.00 1.43 H new ATOM 412 N GLU A 26 -28.166 -6.086 -16.511 1.00 72.34 N ATOM 413 CA GLU A 26 -27.244 -7.180 -16.792 1.00 31.52 C ATOM 414 C GLU A 26 -27.631 -8.431 -16.009 1.00 33.20 C ATOM 415 O GLU A 26 -27.128 -8.669 -14.911 1.00 21.44 O ATOM 416 CB GLU A 26 -25.812 -6.771 -16.445 1.00 44.33 C ATOM 417 CG GLU A 26 -24.917 -6.597 -17.661 1.00 60.34 C ATOM 418 CD GLU A 26 -23.652 -7.431 -17.577 1.00 44.43 C ATOM 419 OE1 GLU A 26 -23.760 -8.674 -17.594 1.00 23.22 O ATOM 420 OE2 GLU A 26 -22.556 -6.839 -17.495 1.00 4.41 O1- ATOM 0 H GLU A 26 -27.994 -5.605 -15.628 1.00 72.34 H new ATOM 0 HA GLU A 26 -27.302 -7.406 -17.857 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -25.836 -5.836 -15.885 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -25.377 -7.525 -15.789 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -25.471 -6.873 -18.558 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -24.649 -5.545 -17.763 1.00 60.34 H new ATOM 427 N ARG A 27 -28.528 -9.228 -16.582 1.00 44.35 N ATOM 428 CA ARG A 27 -28.983 -10.454 -15.938 1.00 14.45 C ATOM 429 C ARG A 27 -28.266 -11.670 -16.515 1.00 63.40 C ATOM 430 O ARG A 27 -28.108 -12.688 -15.842 1.00 51.24 O ATOM 431 CB ARG A 27 -30.496 -10.612 -16.108 1.00 64.51 C ATOM 432 CG ARG A 27 -31.026 -11.952 -15.623 1.00 64.01 C ATOM 433 CD ARG A 27 -31.191 -12.934 -16.772 1.00 33.30 C ATOM 434 NE ARG A 27 -30.347 -14.115 -16.607 1.00 54.14 N ATOM 435 CZ ARG A 27 -30.666 -15.143 -15.828 1.00 4.33 C ATOM 436 NH1 ARG A 27 -31.804 -15.135 -15.146 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -29.846 -16.182 -15.730 1.00 42.52 N ATOM 0 H ARG A 27 -28.954 -9.046 -17.491 1.00 44.35 H new ATOM 0 HA ARG A 27 -28.748 -10.386 -14.876 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -31.000 -9.813 -15.564 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -30.750 -10.490 -17.161 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -30.343 -12.368 -14.882 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -31.985 -11.807 -15.126 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -32.235 -13.241 -16.840 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -30.943 -12.439 -17.711 1.00 33.30 H new ATOM 0 HE ARG A 27 -29.465 -14.152 -17.118 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -32.437 -14.338 -15.219 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -32.046 -15.926 -14.549 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -28.970 -16.192 -16.253 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -30.092 -16.971 -15.132 1.00 42.52 H new ATOM 451 N GLY A 28 -27.833 -11.556 -17.767 1.00 65.44 N ATOM 452 CA GLY A 28 -27.138 -12.654 -18.414 1.00 65.51 C ATOM 453 C GLY A 28 -26.974 -12.438 -19.905 1.00 63.23 C ATOM 454 O GLY A 28 -27.268 -11.359 -20.420 1.00 64.12 O ATOM 0 H GLY A 28 -27.951 -10.724 -18.344 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -26.156 -12.777 -17.958 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -27.688 -13.579 -18.242 1.00 65.51 H new ATOM 458 N LYS A 29 -26.500 -13.466 -20.602 1.00 32.43 N ATOM 459 CA LYS A 29 -26.296 -13.385 -22.043 1.00 50.03 C ATOM 460 C LYS A 29 -27.631 -13.368 -22.782 1.00 32.31 C ATOM 461 O LYS A 29 -28.049 -12.335 -23.303 1.00 52.13 O ATOM 462 CB LYS A 29 -25.448 -14.564 -22.526 1.00 52.24 C ATOM 463 CG LYS A 29 -23.976 -14.438 -22.178 1.00 1.10 C ATOM 464 CD LYS A 29 -23.228 -13.608 -23.208 1.00 42.12 C ATOM 465 CE LYS A 29 -22.270 -12.629 -22.547 1.00 31.11 C ATOM 466 NZ LYS A 29 -21.369 -13.306 -21.575 1.00 23.05 N1+ ATOM 0 H LYS A 29 -26.250 -14.365 -20.191 1.00 32.43 H new ATOM 0 HA LYS A 29 -25.770 -12.455 -22.258 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -25.838 -15.484 -22.090 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -25.550 -14.655 -23.607 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -23.872 -13.979 -21.195 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -23.530 -15.431 -22.116 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -22.673 -14.268 -23.875 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -23.942 -13.061 -23.823 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -21.672 -12.133 -23.312 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -22.839 -11.853 -22.035 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -20.496 -12.752 -21.467 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -21.847 -13.383 -20.654 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -21.134 -14.257 -21.924 1.00 23.05 H new ATOM 480 N ALA A 30 -28.295 -14.519 -22.820 1.00 52.51 N ATOM 481 CA ALA A 30 -29.583 -14.635 -23.492 1.00 34.32 C ATOM 482 C ALA A 30 -30.725 -14.242 -22.560 1.00 4.04 C ATOM 483 O ALA A 30 -31.711 -14.968 -22.430 1.00 72.01 O ATOM 484 CB ALA A 30 -29.785 -16.053 -24.006 1.00 45.32 C ATOM 0 H ALA A 30 -27.962 -15.384 -22.393 1.00 52.51 H new ATOM 0 HA ALA A 30 -29.586 -13.949 -24.339 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -30.751 -16.125 -24.506 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -28.992 -16.301 -24.712 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -29.757 -16.751 -23.169 1.00 45.32 H new TER 490 ALA A 30