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+ -173:sc= 0 (180deg=-0.0547) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.104 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 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 1.081 -0.048 0.119 1.00 45.13 N ATOM 2 CA MET A 1 1.916 0.326 -1.015 1.00 22.32 C ATOM 3 C MET A 1 1.070 0.893 -2.151 1.00 60.01 C ATOM 4 O MET A 1 1.424 1.902 -2.759 1.00 15.42 O ATOM 5 CB MET A 1 2.712 -0.883 -1.512 1.00 71.13 C ATOM 6 CG MET A 1 4.065 -0.521 -2.102 1.00 13.53 C ATOM 7 SD MET A 1 5.213 -1.912 -2.114 1.00 44.03 S ATOM 8 CE MET A 1 4.466 -2.954 -3.364 1.00 62.12 C ATOM 0 H1 MET A 1 1.685 -0.319 0.921 1.00 45.13 H new ATOM 0 H2 MET A 1 0.485 0.759 0.392 1.00 45.13 H new ATOM 0 H3 MET A 1 0.476 -0.852 -0.145 1.00 45.13 H new ATOM 0 HA MET A 1 2.610 1.098 -0.682 1.00 22.32 H new ATOM 0 HB2 MET A 1 2.860 -1.575 -0.683 1.00 71.13 H new ATOM 0 HB3 MET A 1 2.125 -1.409 -2.266 1.00 71.13 H new ATOM 0 HG2 MET A 1 3.928 -0.160 -3.121 1.00 13.53 H new ATOM 0 HG3 MET A 1 4.499 0.298 -1.529 1.00 13.53 H new ATOM 0 HE1 MET A 1 5.062 -3.858 -3.488 1.00 62.12 H new ATOM 0 HE2 MET A 1 3.456 -3.225 -3.056 1.00 62.12 H new ATOM 0 HE3 MET A 1 4.425 -2.414 -4.310 1.00 62.12 H new ATOM 18 N LYS A 2 -0.051 0.237 -2.431 1.00 43.02 N ATOM 19 CA LYS A 2 -0.949 0.676 -3.492 1.00 24.01 C ATOM 20 C LYS A 2 -2.405 0.592 -3.043 1.00 21.24 C ATOM 21 O LYS A 2 -2.980 -0.495 -2.964 1.00 41.40 O ATOM 22 CB LYS A 2 -0.743 -0.176 -4.748 1.00 42.41 C ATOM 23 CG LYS A 2 0.467 0.236 -5.569 1.00 13.34 C ATOM 24 CD LYS A 2 0.057 0.872 -6.886 1.00 42.34 C ATOM 25 CE LYS A 2 0.978 2.023 -7.259 1.00 74.33 C ATOM 26 NZ LYS A 2 0.216 3.267 -7.562 1.00 51.53 N1+ ATOM 0 H LYS A 2 -0.359 -0.601 -1.938 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.717 1.716 -3.722 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.635 -1.220 -4.455 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.635 -0.111 -5.372 1.00 42.41 H new ATOM 0 HG2 LYS A 2 1.073 0.939 -4.998 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.090 -0.637 -5.764 1.00 13.34 H new ATOM 0 HD2 LYS A 2 0.074 0.120 -7.675 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.968 1.234 -6.813 1.00 42.34 H new ATOM 0 HE2 LYS A 2 1.672 2.213 -6.440 1.00 74.33 H new ATOM 0 HE3 LYS A 2 1.576 1.743 -8.126 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 0.879 4.028 -7.812 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 -0.428 3.094 -8.360 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 -0.335 3.549 -6.726 1.00 51.53 H new ATOM 40 N THR A 3 -2.996 1.746 -2.750 1.00 15.52 N ATOM 41 CA THR A 3 -4.384 1.803 -2.308 1.00 53.32 C ATOM 42 C THR A 3 -5.303 1.082 -3.288 1.00 71.41 C ATOM 43 O THR A 3 -6.356 0.571 -2.904 1.00 32.43 O ATOM 44 CB THR A 3 -4.863 3.258 -2.147 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.844 4.160 -2.590 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.217 3.555 -0.698 1.00 15.42 C ATOM 0 H THR A 3 -2.535 2.654 -2.811 1.00 15.52 H new ATOM 0 HA THR A 3 -4.428 1.305 -1.339 1.00 53.32 H new ATOM 0 HB THR A 3 -5.757 3.393 -2.756 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.156 5.083 -2.486 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.552 4.588 -0.610 1.00 15.42 H new ATOM 0 HG22 THR A 3 -6.014 2.886 -0.374 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.339 3.404 -0.071 1.00 15.42 H new ATOM 54 N ILE A 4 -4.897 1.043 -4.552 1.00 72.43 N ATOM 55 CA ILE A 4 -5.685 0.382 -5.587 1.00 30.21 C ATOM 56 C ILE A 4 -5.850 -1.103 -5.286 1.00 53.51 C ATOM 57 O ILE A 4 -6.815 -1.733 -5.722 1.00 24.42 O ATOM 58 CB ILE A 4 -5.040 0.546 -6.975 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.660 -0.115 -7.002 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.933 2.019 -7.339 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.600 -1.349 -7.875 1.00 71.24 C ATOM 0 H ILE A 4 -4.028 1.461 -4.885 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.665 0.860 -5.593 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.673 0.054 -7.713 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.926 0.608 -7.358 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.375 -0.385 -5.985 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.475 2.118 -8.323 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.928 2.463 -7.356 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.319 2.533 -6.599 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.593 -1.766 -7.847 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.310 -2.090 -7.507 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.854 -1.082 -8.901 1.00 71.24 H new ATOM 73 N LEU A 5 -4.901 -1.659 -4.539 1.00 20.13 N ATOM 74 CA LEU A 5 -4.942 -3.071 -4.179 1.00 54.31 C ATOM 75 C LEU A 5 -6.237 -3.411 -3.449 1.00 41.10 C ATOM 76 O LEU A 5 -6.880 -4.419 -3.739 1.00 54.45 O ATOM 77 CB LEU A 5 -3.740 -3.429 -3.302 1.00 10.23 C ATOM 78 CG LEU A 5 -2.363 -3.189 -3.921 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.281 -3.243 -2.854 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.085 -4.206 -5.018 1.00 23.34 C ATOM 0 H LEU A 5 -4.095 -1.153 -4.172 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.901 -3.655 -5.098 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.806 -2.855 -2.378 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.815 -4.482 -3.029 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.356 -2.194 -4.367 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.308 -3.070 -3.314 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.470 -2.474 -2.105 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.288 -4.223 -2.378 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.100 -4.019 -5.447 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.113 -5.211 -4.598 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.842 -4.117 -5.797 1.00 23.34 H new ATOM 92 N ARG A 6 -6.616 -2.560 -2.500 1.00 71.11 N ATOM 93 CA ARG A 6 -7.835 -2.769 -1.728 1.00 53.00 C ATOM 94 C ARG A 6 -9.043 -2.912 -2.650 1.00 15.40 C ATOM 95 O ARG A 6 -10.002 -3.614 -2.329 1.00 4.20 O ATOM 96 CB ARG A 6 -8.055 -1.607 -0.758 1.00 71.24 C ATOM 97 CG ARG A 6 -6.886 -1.373 0.185 1.00 71.42 C ATOM 98 CD ARG A 6 -7.230 -0.347 1.255 1.00 1.32 C ATOM 99 NE ARG A 6 -7.373 -0.959 2.572 1.00 13.11 N ATOM 100 CZ ARG A 6 -6.344 -1.343 3.321 1.00 74.41 C ATOM 101 NH1 ARG A 6 -5.104 -1.178 2.883 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -6.556 -1.892 4.511 1.00 75.54 N ATOM 0 H ARG A 6 -6.096 -1.720 -2.248 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.722 -3.692 -1.159 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -8.238 -0.697 -1.330 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -8.952 -1.800 -0.170 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -6.605 -2.314 0.658 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.021 -1.031 -0.384 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -6.451 0.414 1.291 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -8.158 0.159 0.987 1.00 1.32 H new ATOM 0 HE ARG A 6 -8.315 -1.100 2.938 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -4.938 -0.756 1.970 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -4.316 -1.473 3.459 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -7.509 -2.020 4.851 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -5.766 -2.186 5.085 1.00 75.54 H new ATOM 116 N PHE A 7 -8.990 -2.239 -3.796 1.00 62.32 N ATOM 117 CA PHE A 7 -10.081 -2.290 -4.762 1.00 71.51 C ATOM 118 C PHE A 7 -10.098 -3.629 -5.493 1.00 5.41 C ATOM 119 O PHE A 7 -11.076 -4.374 -5.426 1.00 43.40 O ATOM 120 CB PHE A 7 -9.950 -1.147 -5.771 1.00 55.54 C ATOM 121 CG PHE A 7 -10.073 0.216 -5.152 1.00 32.55 C ATOM 122 CD1 PHE A 7 -9.013 0.775 -4.457 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.251 0.938 -5.266 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.126 2.028 -3.886 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.369 2.192 -4.698 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.305 2.739 -4.008 1.00 22.42 C ATOM 0 H PHE A 7 -8.204 -1.653 -4.077 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.020 -2.181 -4.219 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.985 -1.224 -6.272 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.717 -1.260 -6.537 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.088 0.225 -4.360 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.086 0.515 -5.805 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.293 2.452 -3.344 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.292 2.744 -4.794 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.394 3.720 -3.565 1.00 22.42 H new ATOM 136 N VAL A 8 -9.008 -3.929 -6.193 1.00 53.12 N ATOM 137 CA VAL A 8 -8.896 -5.178 -6.936 1.00 31.45 C ATOM 138 C VAL A 8 -9.077 -6.381 -6.019 1.00 55.51 C ATOM 139 O VAL A 8 -9.552 -7.433 -6.445 1.00 51.14 O ATOM 140 CB VAL A 8 -7.534 -5.287 -7.648 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.414 -5.456 -6.634 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.544 -6.441 -8.641 1.00 55.23 C ATOM 0 H VAL A 8 -8.190 -3.323 -6.261 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.689 -5.174 -7.684 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.356 -4.364 -8.199 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.460 -5.531 -7.155 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.395 -4.595 -5.966 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.583 -6.363 -6.053 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.575 -6.504 -9.135 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.744 -7.374 -8.113 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.321 -6.273 -9.387 1.00 55.23 H new ATOM 152 N ALA A 9 -8.693 -6.220 -4.757 1.00 65.43 N ATOM 153 CA ALA A 9 -8.814 -7.293 -3.777 1.00 41.13 C ATOM 154 C ALA A 9 -10.255 -7.783 -3.676 1.00 25.11 C ATOM 155 O ALA A 9 -10.508 -8.919 -3.276 1.00 71.55 O ATOM 156 CB ALA A 9 -8.317 -6.824 -2.418 1.00 42.33 C ATOM 0 H ALA A 9 -8.295 -5.356 -4.389 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.196 -8.128 -4.109 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.413 -7.635 -1.696 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.271 -6.529 -2.495 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.911 -5.972 -2.088 1.00 42.33 H new ATOM 162 N GLY A 10 -11.197 -6.918 -4.040 1.00 61.41 N ATOM 163 CA GLY A 10 -12.600 -7.281 -3.981 1.00 25.11 C ATOM 164 C GLY A 10 -13.079 -7.952 -5.254 1.00 3.31 C ATOM 165 O GLY A 10 -13.941 -8.830 -5.214 1.00 52.42 O ATOM 0 H GLY A 10 -11.013 -5.972 -4.375 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.764 -7.951 -3.137 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.196 -6.387 -3.799 1.00 25.11 H new ATOM 169 N TYR A 11 -12.520 -7.538 -6.385 1.00 42.22 N ATOM 170 CA TYR A 11 -12.898 -8.103 -7.676 1.00 72.35 C ATOM 171 C TYR A 11 -12.767 -9.622 -7.665 1.00 14.31 C ATOM 172 O TYR A 11 -13.667 -10.337 -8.105 1.00 43.11 O ATOM 173 CB TYR A 11 -12.030 -7.511 -8.788 1.00 61.03 C ATOM 174 CG TYR A 11 -12.244 -8.166 -10.134 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.523 -8.362 -10.639 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.165 -8.589 -10.902 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.722 -8.960 -11.868 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.354 -9.187 -12.133 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.634 -9.370 -12.611 1.00 64.34 C ATOM 180 OH TYR A 11 -12.829 -9.966 -13.837 1.00 61.13 O ATOM 0 H TYR A 11 -11.804 -6.814 -6.435 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.941 -7.849 -7.865 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.241 -6.445 -8.874 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -10.981 -7.607 -8.509 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.377 -8.041 -10.061 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.161 -8.448 -10.530 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.723 -9.106 -12.245 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.505 -9.509 -12.717 1.00 4.31 H new ATOM 0 HH TYR A 11 -11.961 -10.194 -14.231 1.00 61.13 H new ATOM 190 N ASP A 12 -11.639 -10.108 -7.158 1.00 65.02 N ATOM 191 CA ASP A 12 -11.388 -11.543 -7.088 1.00 75.54 C ATOM 192 C ASP A 12 -12.473 -12.245 -6.277 1.00 41.32 C ATOM 193 O ASP A 12 -12.761 -13.422 -6.495 1.00 63.40 O ATOM 194 CB ASP A 12 -10.016 -11.813 -6.469 1.00 50.20 C ATOM 195 CG ASP A 12 -9.476 -13.183 -6.832 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.217 -13.418 -8.031 1.00 71.04 O1- ATOM 197 OD2 ASP A 12 -9.313 -14.017 -5.919 1.00 0.04 O ATOM 0 H ASP A 12 -10.884 -9.529 -6.790 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.404 -11.940 -8.103 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.314 -11.049 -6.802 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -10.087 -11.729 -5.385 1.00 50.20 H new ATOM 202 N ILE A 13 -13.070 -11.515 -5.340 1.00 22.04 N ATOM 203 CA ILE A 13 -14.122 -12.068 -4.497 1.00 12.43 C ATOM 204 C ILE A 13 -15.482 -11.971 -5.180 1.00 51.45 C ATOM 205 O ILE A 13 -16.323 -12.857 -5.038 1.00 22.14 O ATOM 206 CB ILE A 13 -14.189 -11.348 -3.137 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.811 -11.334 -2.473 1.00 34.34 C ATOM 208 CG2 ILE A 13 -15.212 -12.020 -2.232 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.277 -12.714 -2.158 1.00 32.12 C ATOM 0 H ILE A 13 -12.843 -10.540 -5.146 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.876 -13.117 -4.332 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.501 -10.317 -3.304 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.106 -10.822 -3.128 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.867 -10.756 -1.551 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.248 -11.500 -1.275 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -16.194 -11.982 -2.703 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.927 -13.060 -2.070 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.297 -12.627 -1.689 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.961 -13.222 -1.478 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -12.188 -13.289 -3.080 1.00 32.12 H new ATOM 221 N ALA A 14 -15.688 -10.888 -5.922 1.00 52.22 N ATOM 222 CA ALA A 14 -16.945 -10.677 -6.630 1.00 55.53 C ATOM 223 C ALA A 14 -17.057 -11.601 -7.837 1.00 42.14 C ATOM 224 O ALA A 14 -18.159 -11.931 -8.277 1.00 70.44 O ATOM 225 CB ALA A 14 -17.068 -9.223 -7.063 1.00 43.50 C ATOM 0 H ALA A 14 -15.002 -10.144 -6.048 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.762 -10.913 -5.948 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -18.011 -9.079 -7.591 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -17.041 -8.578 -6.185 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.240 -8.969 -7.725 1.00 43.50 H new ATOM 231 N SER A 15 -15.912 -12.016 -8.367 1.00 12.33 N ATOM 232 CA SER A 15 -15.882 -12.900 -9.527 1.00 20.03 C ATOM 233 C SER A 15 -16.555 -14.232 -9.212 1.00 21.21 C ATOM 234 O SER A 15 -17.210 -14.828 -10.068 1.00 23.43 O ATOM 235 CB SER A 15 -14.439 -13.139 -9.976 1.00 21.01 C ATOM 236 OG SER A 15 -14.307 -12.975 -11.377 1.00 30.13 O ATOM 0 H SER A 15 -14.992 -11.755 -8.012 1.00 12.33 H new ATOM 0 HA SER A 15 -16.431 -12.417 -10.335 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.775 -12.445 -9.461 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.129 -14.145 -9.694 1.00 21.01 H new ATOM 0 HG SER A 15 -13.376 -13.131 -11.638 1.00 30.13 H new ATOM 242 N HIS A 16 -16.390 -14.694 -7.977 1.00 53.24 N ATOM 243 CA HIS A 16 -16.982 -15.955 -7.546 1.00 35.24 C ATOM 244 C HIS A 16 -18.330 -15.722 -6.872 1.00 4.32 C ATOM 245 O HIS A 16 -19.195 -16.597 -6.869 1.00 21.51 O ATOM 246 CB HIS A 16 -16.040 -16.685 -6.588 1.00 4.42 C ATOM 247 CG HIS A 16 -14.995 -17.504 -7.283 1.00 62.13 C ATOM 248 ND1 HIS A 16 -14.963 -18.881 -7.235 1.00 61.22 N ATOM 249 CD2 HIS A 16 -13.941 -17.130 -8.047 1.00 31.25 C ATOM 250 CE1 HIS A 16 -13.934 -19.320 -7.938 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.298 -18.278 -8.442 1.00 3.45 N ATOM 0 H HIS A 16 -15.851 -14.214 -7.257 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.140 -16.573 -8.430 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -15.549 -15.953 -5.946 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -16.627 -17.335 -5.939 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -13.659 -16.118 -8.299 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -13.660 -20.355 -8.077 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.465 -18.319 -9.029 1.00 3.45 H new ATOM 259 N LYS A 17 -18.502 -14.534 -6.300 1.00 61.21 N ATOM 260 CA LYS A 17 -19.745 -14.184 -5.623 1.00 22.12 C ATOM 261 C LYS A 17 -20.910 -14.153 -6.605 1.00 0.25 C ATOM 262 O LYS A 17 -21.951 -14.767 -6.369 1.00 10.32 O ATOM 263 CB LYS A 17 -19.607 -12.824 -4.934 1.00 44.13 C ATOM 264 CG LYS A 17 -20.770 -12.486 -4.017 1.00 25.14 C ATOM 265 CD LYS A 17 -20.528 -12.985 -2.602 1.00 21.12 C ATOM 266 CE LYS A 17 -21.351 -14.227 -2.300 1.00 41.30 C ATOM 267 NZ LYS A 17 -21.494 -14.456 -0.836 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.796 -13.798 -6.292 1.00 61.21 H new ATOM 0 HA LYS A 17 -19.948 -14.947 -4.872 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -18.683 -12.811 -4.355 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.517 -12.048 -5.694 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -20.921 -11.407 -4.002 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -21.685 -12.931 -4.409 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -19.469 -13.208 -2.470 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -20.779 -12.199 -1.890 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -22.339 -14.126 -2.750 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -20.879 -15.096 -2.759 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -22.062 -15.312 -0.672 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -20.553 -14.578 -0.410 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -21.968 -13.638 -0.401 1.00 5.43 H new ATOM 281 N LYS A 18 -20.728 -13.436 -7.710 1.00 52.14 N ATOM 282 CA LYS A 18 -21.763 -13.328 -8.731 1.00 54.44 C ATOM 283 C LYS A 18 -21.146 -13.154 -10.115 1.00 32.34 C ATOM 284 O LYS A 18 -20.494 -12.147 -10.393 1.00 34.21 O ATOM 285 CB LYS A 18 -22.691 -12.151 -8.422 1.00 42.22 C ATOM 286 CG LYS A 18 -23.957 -12.137 -9.262 1.00 44.35 C ATOM 287 CD LYS A 18 -24.662 -10.794 -9.186 1.00 64.32 C ATOM 288 CE LYS A 18 -24.182 -9.850 -10.278 1.00 31.44 C ATOM 289 NZ LYS A 18 -25.169 -8.768 -10.549 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.873 -12.921 -7.921 1.00 52.14 H new ATOM 0 HA LYS A 18 -22.343 -14.251 -8.725 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -22.965 -12.183 -7.368 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -22.148 -11.219 -8.583 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -23.709 -12.360 -10.300 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -24.631 -12.922 -8.919 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -25.738 -10.941 -9.278 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -24.484 -10.343 -8.210 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -23.230 -9.408 -9.983 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -24.002 -10.415 -11.193 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -24.805 -8.146 -11.299 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -26.070 -9.188 -10.855 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -25.322 -8.213 -9.683 1.00 32.22 H new ATOM 303 N LYS A 19 -21.357 -14.141 -10.980 1.00 12.44 N ATOM 304 CA LYS A 19 -20.823 -14.096 -12.336 1.00 30.35 C ATOM 305 C LYS A 19 -21.944 -13.921 -13.355 1.00 22.33 C ATOM 306 O LYS A 19 -21.696 -13.609 -14.521 1.00 13.24 O ATOM 307 CB LYS A 19 -20.038 -15.373 -12.640 1.00 52.34 C ATOM 308 CG LYS A 19 -19.356 -15.361 -13.996 1.00 43.25 C ATOM 309 CD LYS A 19 -20.065 -16.269 -14.986 1.00 35.41 C ATOM 310 CE LYS A 19 -20.226 -15.598 -16.342 1.00 22.10 C ATOM 311 NZ LYS A 19 -20.029 -16.559 -17.463 1.00 2.42 N1+ ATOM 0 H LYS A 19 -21.894 -14.981 -10.766 1.00 12.44 H new ATOM 0 HA LYS A 19 -20.152 -13.240 -12.408 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -19.285 -15.519 -11.866 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -20.715 -16.226 -12.591 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -19.336 -14.343 -14.385 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -18.320 -15.681 -13.886 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -19.500 -17.194 -15.102 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -21.045 -16.541 -14.595 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -21.220 -15.156 -16.413 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -19.508 -14.783 -16.432 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -20.147 -16.064 -18.370 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -19.072 -16.962 -17.411 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -20.731 -17.323 -17.392 1.00 2.42 H new ATOM 325 N THR A 20 -23.180 -14.124 -12.910 1.00 74.11 N ATOM 326 CA THR A 20 -24.340 -13.989 -13.783 1.00 2.32 C ATOM 327 C THR A 20 -25.638 -14.073 -12.990 1.00 43.42 C ATOM 328 O THR A 20 -25.727 -14.798 -11.999 1.00 50.52 O ATOM 329 CB THR A 20 -24.348 -15.074 -14.877 1.00 75.53 C ATOM 330 OG1 THR A 20 -25.510 -14.928 -15.701 1.00 14.51 O ATOM 331 CG2 THR A 20 -24.329 -16.465 -14.260 1.00 11.21 C ATOM 0 H THR A 20 -23.404 -14.383 -11.949 1.00 74.11 H new ATOM 0 HA THR A 20 -24.269 -13.009 -14.254 1.00 2.32 H new ATOM 0 HB THR A 20 -23.452 -14.952 -15.486 1.00 75.53 H new ATOM 0 HG1 THR A 20 -25.508 -15.620 -16.395 1.00 14.51 H new ATOM 0 HG21 THR A 20 -24.335 -17.214 -15.052 1.00 11.21 H new ATOM 0 HG22 THR A 20 -23.429 -16.583 -13.656 1.00 11.21 H new ATOM 0 HG23 THR A 20 -25.209 -16.596 -13.630 1.00 11.21 H new ATOM 339 N GLY A 21 -26.647 -13.328 -13.432 1.00 32.30 N ATOM 340 CA GLY A 21 -27.929 -13.333 -12.752 1.00 50.33 C ATOM 341 C GLY A 21 -28.751 -12.096 -13.053 1.00 2.24 C ATOM 342 O GLY A 21 -29.317 -11.968 -14.138 1.00 35.14 O ATOM 0 H GLY A 21 -26.599 -12.720 -14.250 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -28.490 -14.219 -13.048 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -27.766 -13.404 -11.677 1.00 50.33 H new ATOM 346 N GLY A 22 -28.818 -11.182 -12.090 1.00 31.51 N ATOM 347 CA GLY A 22 -29.581 -9.962 -12.277 1.00 45.51 C ATOM 348 C GLY A 22 -29.412 -8.990 -11.126 1.00 10.31 C ATOM 349 O GLY A 22 -28.454 -8.217 -11.091 1.00 73.31 O ATOM 0 H GLY A 22 -28.357 -11.265 -11.184 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -29.269 -9.481 -13.204 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -30.637 -10.211 -12.387 1.00 45.51 H new ATOM 353 N TYR A 23 -30.346 -9.027 -10.182 1.00 71.54 N ATOM 354 CA TYR A 23 -30.299 -8.140 -9.025 1.00 55.03 C ATOM 355 C TYR A 23 -29.895 -8.905 -7.769 1.00 51.04 C ATOM 356 O TYR A 23 -30.066 -10.120 -7.668 1.00 40.24 O ATOM 357 CB TYR A 23 -31.657 -7.471 -8.814 1.00 51.42 C ATOM 358 CG TYR A 23 -32.181 -6.762 -10.043 1.00 14.11 C ATOM 359 CD1 TYR A 23 -32.815 -7.468 -11.059 1.00 54.44 C ATOM 360 CD2 TYR A 23 -32.041 -5.388 -10.189 1.00 31.13 C ATOM 361 CE1 TYR A 23 -33.293 -6.826 -12.184 1.00 73.33 C ATOM 362 CE2 TYR A 23 -32.519 -4.736 -11.310 1.00 4.11 C ATOM 363 CZ TYR A 23 -33.144 -5.459 -12.304 1.00 61.03 C ATOM 364 OH TYR A 23 -33.620 -4.814 -13.423 1.00 22.01 O ATOM 0 H TYR A 23 -31.145 -9.661 -10.195 1.00 71.54 H new ATOM 0 HA TYR A 23 -29.550 -7.372 -9.217 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -32.380 -8.226 -8.504 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -31.576 -6.753 -7.998 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -32.936 -8.537 -10.967 1.00 54.44 H new ATOM 0 HD2 TYR A 23 -31.550 -4.819 -9.413 1.00 31.13 H new ATOM 0 HE1 TYR A 23 -33.781 -7.390 -12.965 1.00 73.33 H new ATOM 0 HE2 TYR A 23 -32.404 -3.667 -11.407 1.00 4.11 H new ATOM 0 HH TYR A 23 -33.436 -3.854 -13.350 1.00 22.01 H new ATOM 374 N PRO A 24 -29.347 -8.176 -6.784 1.00 64.11 N ATOM 375 CA PRO A 24 -28.908 -8.764 -5.515 1.00 61.32 C ATOM 376 C PRO A 24 -30.080 -9.225 -4.654 1.00 73.43 C ATOM 377 O PRO A 24 -29.945 -10.145 -3.847 1.00 43.22 O ATOM 378 CB PRO A 24 -28.162 -7.615 -4.832 1.00 74.10 C ATOM 379 CG PRO A 24 -28.752 -6.379 -5.417 1.00 61.12 C ATOM 380 CD PRO A 24 -29.114 -6.723 -6.835 1.00 71.12 C ATOM 0 HA PRO A 24 -28.299 -9.655 -5.667 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -28.296 -7.644 -3.751 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -27.090 -7.670 -5.022 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -29.631 -6.063 -4.856 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -28.040 -5.554 -5.385 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -30.003 -6.185 -7.165 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -28.312 -6.469 -7.528 1.00 71.12 H new ATOM 388 N TRP A 25 -31.227 -8.580 -4.831 1.00 72.25 N ATOM 389 CA TRP A 25 -32.422 -8.925 -4.069 1.00 30.04 C ATOM 390 C TRP A 25 -33.513 -9.470 -4.986 1.00 53.24 C ATOM 391 O TRP A 25 -34.324 -10.298 -4.574 1.00 23.21 O ATOM 392 CB TRP A 25 -32.940 -7.701 -3.312 1.00 34.53 C ATOM 393 CG TRP A 25 -33.956 -6.913 -4.081 1.00 21.43 C ATOM 394 CD1 TRP A 25 -35.309 -6.909 -3.887 1.00 33.43 C ATOM 395 CD2 TRP A 25 -33.702 -6.014 -5.167 1.00 71.34 C ATOM 396 NE1 TRP A 25 -35.910 -6.062 -4.787 1.00 42.31 N ATOM 397 CE2 TRP A 25 -34.947 -5.501 -5.582 1.00 15.21 C ATOM 398 CE3 TRP A 25 -32.545 -5.593 -5.826 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -35.063 -4.589 -6.629 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -32.662 -4.688 -6.864 1.00 43.32 C ATOM 401 CH2 TRP A 25 -33.913 -4.193 -7.257 1.00 1.43 C ATOM 0 H TRP A 25 -31.355 -7.816 -5.495 1.00 72.25 H new ATOM 0 HA TRP A 25 -32.154 -9.701 -3.352 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -33.380 -8.025 -2.369 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -32.099 -7.053 -3.065 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -35.829 -7.486 -3.137 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -36.912 -5.881 -4.852 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -31.576 -5.968 -5.530 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -36.026 -4.208 -6.934 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -31.774 -4.356 -7.381 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -33.971 -3.486 -8.071 1.00 1.43 H new ATOM 412 N GLU A 26 -33.525 -8.999 -6.229 1.00 72.34 N ATOM 413 CA GLU A 26 -34.518 -9.440 -7.202 1.00 31.52 C ATOM 414 C GLU A 26 -33.940 -10.516 -8.118 1.00 33.20 C ATOM 415 O GLU A 26 -34.431 -10.731 -9.227 1.00 21.44 O ATOM 416 CB GLU A 26 -35.009 -8.255 -8.037 1.00 44.33 C ATOM 417 CG GLU A 26 -36.470 -7.912 -7.804 1.00 60.34 C ATOM 418 CD GLU A 26 -37.276 -7.893 -9.089 1.00 44.43 C ATOM 419 OE1 GLU A 26 -37.196 -6.888 -9.825 1.00 4.41 O1- ATOM 420 OE2 GLU A 26 -37.987 -8.884 -9.357 1.00 23.22 O ATOM 0 H GLU A 26 -32.860 -8.313 -6.586 1.00 72.34 H new ATOM 0 HA GLU A 26 -35.361 -9.864 -6.656 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -34.398 -7.382 -7.808 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -34.861 -8.479 -9.093 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -36.905 -8.638 -7.117 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -36.538 -6.937 -7.322 1.00 60.34 H new ATOM 427 N ARG A 27 -32.896 -11.189 -7.646 1.00 44.35 N ATOM 428 CA ARG A 27 -32.251 -12.241 -8.422 1.00 14.45 C ATOM 429 C ARG A 27 -33.272 -13.272 -8.895 1.00 63.40 C ATOM 430 O ARG A 27 -33.097 -13.902 -9.937 1.00 51.24 O ATOM 431 CB ARG A 27 -31.167 -12.927 -7.589 1.00 64.51 C ATOM 432 CG ARG A 27 -30.063 -13.554 -8.424 1.00 64.01 C ATOM 433 CD ARG A 27 -30.121 -15.073 -8.375 1.00 33.30 C ATOM 434 NE ARG A 27 -30.042 -15.581 -7.008 1.00 54.14 N ATOM 435 CZ ARG A 27 -28.907 -15.682 -6.326 1.00 4.33 C ATOM 436 NH1 ARG A 27 -27.760 -15.312 -6.881 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -28.916 -16.154 -5.086 1.00 42.52 N ATOM 0 H ARG A 27 -32.479 -11.024 -6.730 1.00 44.35 H new ATOM 0 HA ARG A 27 -31.791 -11.782 -9.297 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -30.727 -12.197 -6.909 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -31.628 -13.699 -6.973 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -30.152 -13.219 -9.457 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -29.093 -13.214 -8.061 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -31.048 -15.415 -8.836 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -29.301 -15.486 -8.963 1.00 33.30 H new ATOM 0 HE ARG A 27 -30.906 -15.874 -6.552 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -27.748 -14.949 -7.834 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -26.890 -15.391 -6.355 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -29.795 -16.440 -4.655 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -28.044 -16.231 -4.563 1.00 42.52 H new ATOM 451 N GLY A 28 -34.340 -13.438 -8.121 1.00 65.44 N ATOM 452 CA GLY A 28 -35.373 -14.394 -8.476 1.00 65.51 C ATOM 453 C GLY A 28 -36.278 -14.732 -7.308 1.00 63.23 C ATOM 454 O GLY A 28 -36.455 -15.901 -6.967 1.00 64.12 O ATOM 0 H GLY A 28 -34.509 -12.927 -7.254 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -35.973 -13.990 -9.291 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -34.907 -15.307 -8.846 1.00 65.51 H new ATOM 458 N LYS A 29 -36.852 -13.704 -6.691 1.00 32.43 N ATOM 459 CA LYS A 29 -37.744 -13.897 -5.553 1.00 50.03 C ATOM 460 C LYS A 29 -39.053 -14.544 -5.991 1.00 32.31 C ATOM 461 O LYS A 29 -39.695 -15.255 -5.217 1.00 52.13 O ATOM 462 CB LYS A 29 -38.029 -12.557 -4.870 1.00 52.24 C ATOM 463 CG LYS A 29 -38.835 -11.596 -5.728 1.00 1.10 C ATOM 464 CD LYS A 29 -38.779 -10.180 -5.181 1.00 42.12 C ATOM 465 CE LYS A 29 -39.885 -9.313 -5.764 1.00 31.11 C ATOM 466 NZ LYS A 29 -39.560 -7.863 -5.671 1.00 23.05 N1+ ATOM 0 H LYS A 29 -36.716 -12.730 -6.960 1.00 32.43 H new ATOM 0 HA LYS A 29 -37.250 -14.562 -4.845 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -38.568 -12.740 -3.940 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -37.083 -12.086 -4.603 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -38.452 -11.608 -6.748 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -39.872 -11.929 -5.773 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -38.869 -10.205 -4.095 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -37.809 -9.738 -5.411 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -40.046 -9.583 -6.808 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -40.818 -9.511 -5.236 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -40.338 -7.306 -6.079 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -39.431 -7.599 -4.673 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -38.683 -7.669 -6.196 1.00 23.05 H new ATOM 480 N ALA A 30 -39.443 -14.296 -7.237 1.00 52.51 N ATOM 481 CA ALA A 30 -40.674 -14.858 -7.779 1.00 34.32 C ATOM 482 C ALA A 30 -40.393 -15.703 -9.017 1.00 4.04 C ATOM 483 O ALA A 30 -41.132 -15.643 -10.001 1.00 72.01 O ATOM 484 CB ALA A 30 -41.661 -13.748 -8.108 1.00 45.32 C ATOM 0 H ALA A 30 -38.924 -13.709 -7.890 1.00 52.51 H new ATOM 0 HA ALA A 30 -41.113 -15.506 -7.021 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -42.576 -14.182 -8.512 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -41.894 -13.188 -7.202 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -41.221 -13.077 -8.846 1.00 45.32 H new TER 490 ALA A 30