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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.92 (180deg=-0.922) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -80:sc= 0.124 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 69:sc= 0.0857 USER MOD Single : A 16 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-4.8!) 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+ 151:sc= -0.0668 (180deg=-0.499) USER MOD Single : A 20 THR OG1 : rot -144:sc= 0.00979 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 1.047 -1.081 -0.171 1.00 45.13 N ATOM 2 CA MET A 1 1.497 0.263 -0.514 1.00 22.32 C ATOM 3 C MET A 1 0.582 0.892 -1.560 1.00 60.01 C ATOM 4 O MET A 1 0.377 2.106 -1.572 1.00 15.42 O ATOM 5 CB MET A 1 2.935 0.226 -1.033 1.00 71.13 C ATOM 6 CG MET A 1 3.146 -0.761 -2.170 1.00 13.53 C ATOM 7 SD MET A 1 4.344 -2.045 -1.762 1.00 44.03 S ATOM 8 CE MET A 1 3.652 -3.444 -2.640 1.00 62.12 C ATOM 0 H1 MET A 1 1.694 -1.496 0.530 1.00 45.13 H new ATOM 0 H2 MET A 1 0.088 -1.035 0.228 1.00 45.13 H new ATOM 0 H3 MET A 1 1.038 -1.673 -1.026 1.00 45.13 H new ATOM 0 HA MET A 1 1.461 0.873 0.389 1.00 22.32 H new ATOM 0 HB2 MET A 1 3.216 1.223 -1.372 1.00 71.13 H new ATOM 0 HB3 MET A 1 3.603 -0.031 -0.211 1.00 71.13 H new ATOM 0 HG2 MET A 1 2.193 -1.226 -2.424 1.00 13.53 H new ATOM 0 HG3 MET A 1 3.484 -0.222 -3.055 1.00 13.53 H new ATOM 0 HE1 MET A 1 4.283 -4.319 -2.485 1.00 62.12 H new ATOM 0 HE2 MET A 1 2.649 -3.649 -2.265 1.00 62.12 H new ATOM 0 HE3 MET A 1 3.602 -3.217 -3.705 1.00 62.12 H new ATOM 18 N LYS A 2 0.034 0.058 -2.439 1.00 43.02 N ATOM 19 CA LYS A 2 -0.859 0.531 -3.488 1.00 24.01 C ATOM 20 C LYS A 2 -2.313 0.478 -3.031 1.00 21.24 C ATOM 21 O LYS A 2 -2.914 -0.595 -2.959 1.00 41.40 O ATOM 22 CB LYS A 2 -0.682 -0.309 -4.755 1.00 42.41 C ATOM 23 CG LYS A 2 0.532 0.084 -5.580 1.00 13.34 C ATOM 24 CD LYS A 2 0.129 0.814 -6.850 1.00 42.34 C ATOM 25 CE LYS A 2 1.225 1.757 -7.322 1.00 74.33 C ATOM 26 NZ LYS A 2 0.983 2.240 -8.710 1.00 51.53 N1+ ATOM 0 H LYS A 2 0.194 -0.949 -2.444 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.603 1.568 -3.707 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.597 -1.359 -4.476 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.576 -0.215 -5.371 1.00 42.41 H new ATOM 0 HG2 LYS A 2 1.187 0.721 -4.985 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.103 -0.808 -5.837 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.091 0.089 -7.634 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.786 1.378 -6.672 1.00 42.34 H new ATOM 0 HE2 LYS A 2 1.286 2.610 -6.646 1.00 74.33 H new ATOM 0 HE3 LYS A 2 2.187 1.246 -7.278 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 1.752 2.880 -8.994 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 0.950 1.428 -9.359 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 0.077 2.750 -8.747 1.00 51.53 H new ATOM 40 N THR A 3 -2.876 1.643 -2.722 1.00 15.52 N ATOM 41 CA THR A 3 -4.258 1.728 -2.270 1.00 53.32 C ATOM 42 C THR A 3 -5.200 1.040 -3.252 1.00 71.41 C ATOM 43 O THR A 3 -6.263 0.550 -2.868 1.00 32.43 O ATOM 44 CB THR A 3 -4.702 3.193 -2.093 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.673 4.076 -2.553 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.017 3.489 -0.634 1.00 15.42 C ATOM 0 H THR A 3 -2.395 2.541 -2.777 1.00 15.52 H new ATOM 0 HA THR A 3 -4.307 1.222 -1.306 1.00 53.32 H new ATOM 0 HB THR A 3 -5.605 3.350 -2.683 1.00 3.35 H new ATOM 0 HG1 THR A 3 -2.983 4.163 -1.862 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.328 4.529 -0.533 1.00 15.42 H new ATOM 0 HG22 THR A 3 -5.821 2.835 -0.295 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.128 3.316 -0.027 1.00 15.42 H new ATOM 54 N ILE A 4 -4.803 1.005 -4.520 1.00 72.43 N ATOM 55 CA ILE A 4 -5.612 0.375 -5.556 1.00 30.21 C ATOM 56 C ILE A 4 -5.810 -1.111 -5.272 1.00 53.51 C ATOM 57 O ILE A 4 -6.792 -1.712 -5.707 1.00 24.42 O ATOM 58 CB ILE A 4 -4.973 0.539 -6.948 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.610 -0.156 -6.991 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.834 2.013 -7.296 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.584 -1.381 -7.878 1.00 71.24 C ATOM 0 H ILE A 4 -3.926 1.405 -4.854 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.580 0.876 -5.548 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.622 0.071 -7.688 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.861 0.553 -7.343 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.326 -0.444 -5.979 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.381 2.113 -8.282 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.819 2.480 -7.300 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.203 2.504 -6.555 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.587 -1.822 -7.860 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.309 -2.109 -7.514 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.837 -1.096 -8.899 1.00 71.24 H new ATOM 73 N LEU A 5 -4.872 -1.696 -4.537 1.00 20.13 N ATOM 74 CA LEU A 5 -4.942 -3.111 -4.190 1.00 54.31 C ATOM 75 C LEU A 5 -6.241 -3.429 -3.456 1.00 41.10 C ATOM 76 O LEU A 5 -6.909 -4.419 -3.754 1.00 54.45 O ATOM 77 CB LEU A 5 -3.745 -3.507 -3.326 1.00 10.23 C ATOM 78 CG LEU A 5 -2.366 -3.290 -3.950 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.280 -3.381 -2.889 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.117 -4.303 -5.058 1.00 23.34 C ATOM 0 H LEU A 5 -4.053 -1.212 -4.169 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.919 -3.686 -5.116 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.793 -2.944 -2.394 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.843 -4.561 -3.067 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.338 -2.291 -4.385 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.306 -3.224 -3.351 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.448 -2.618 -2.130 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.307 -4.367 -2.425 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.131 -4.134 -5.491 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.164 -5.311 -4.647 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.877 -4.191 -5.831 1.00 23.34 H new ATOM 92 N ARG A 6 -6.594 -2.580 -2.495 1.00 71.11 N ATOM 93 CA ARG A 6 -7.813 -2.768 -1.720 1.00 53.00 C ATOM 94 C ARG A 6 -9.030 -2.872 -2.634 1.00 15.40 C ATOM 95 O ARG A 6 -10.003 -3.556 -2.315 1.00 4.20 O ATOM 96 CB ARG A 6 -8.000 -1.613 -0.734 1.00 71.24 C ATOM 97 CG ARG A 6 -7.093 -1.698 0.483 1.00 71.42 C ATOM 98 CD ARG A 6 -6.540 -0.334 0.861 1.00 1.32 C ATOM 99 NE ARG A 6 -7.359 0.330 1.872 1.00 13.11 N ATOM 100 CZ ARG A 6 -7.328 0.019 3.163 1.00 74.41 C ATOM 101 NH1 ARG A 6 -6.521 -0.938 3.599 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -8.105 0.669 4.021 1.00 75.54 N ATOM 0 H ARG A 6 -6.052 -1.756 -2.236 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.718 -3.700 -1.164 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.813 -0.672 -1.251 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.038 -1.594 -0.402 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.649 -2.112 1.324 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.269 -2.382 0.277 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -5.523 -0.447 1.236 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -6.484 0.293 -0.029 1.00 1.32 H new ATOM 0 HE ARG A 6 -7.989 1.073 1.570 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -5.921 -1.438 2.942 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -6.500 -1.174 4.591 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -8.726 1.407 3.689 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -8.081 0.430 5.012 1.00 75.54 H new ATOM 116 N PHE A 7 -8.968 -2.190 -3.772 1.00 62.32 N ATOM 117 CA PHE A 7 -10.065 -2.204 -4.734 1.00 71.51 C ATOM 118 C PHE A 7 -10.117 -3.534 -5.479 1.00 5.41 C ATOM 119 O PHE A 7 -11.112 -4.257 -5.414 1.00 43.40 O ATOM 120 CB PHE A 7 -9.912 -1.053 -5.731 1.00 55.54 C ATOM 121 CG PHE A 7 -10.002 0.305 -5.096 1.00 32.55 C ATOM 122 CD1 PHE A 7 -8.925 0.832 -4.401 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.162 1.056 -5.195 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.005 2.082 -3.817 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.248 2.306 -4.612 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.167 2.820 -3.923 1.00 22.42 C ATOM 0 H PHE A 7 -8.170 -1.620 -4.052 1.00 62.32 H new ATOM 0 HA PHE A 7 -10.998 -2.078 -4.185 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.951 -1.146 -6.237 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.684 -1.140 -6.496 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.013 0.260 -4.315 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.010 0.660 -5.734 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.159 2.481 -3.278 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.159 2.880 -4.695 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.231 3.797 -3.468 1.00 22.42 H new ATOM 136 N VAL A 8 -9.039 -3.852 -6.188 1.00 53.12 N ATOM 137 CA VAL A 8 -8.961 -5.094 -6.946 1.00 31.45 C ATOM 138 C VAL A 8 -9.164 -6.304 -6.042 1.00 55.51 C ATOM 139 O VAL A 8 -9.666 -7.339 -6.475 1.00 51.14 O ATOM 140 CB VAL A 8 -7.606 -5.228 -7.668 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.485 -5.434 -6.661 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.649 -6.368 -8.674 1.00 55.23 C ATOM 0 H VAL A 8 -8.207 -3.266 -6.253 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.758 -5.061 -7.689 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.409 -4.304 -8.211 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.535 -5.527 -7.188 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.443 -4.581 -5.984 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.673 -6.342 -6.089 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.684 -6.448 -9.175 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.868 -7.302 -8.156 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.426 -6.172 -9.413 1.00 55.23 H new ATOM 152 N ALA A 9 -8.770 -6.165 -4.780 1.00 65.43 N ATOM 153 CA ALA A 9 -8.911 -7.244 -3.812 1.00 41.13 C ATOM 154 C ALA A 9 -10.362 -7.701 -3.706 1.00 25.11 C ATOM 155 O ALA A 9 -10.639 -8.835 -3.317 1.00 71.55 O ATOM 156 CB ALA A 9 -8.394 -6.804 -2.450 1.00 42.33 C ATOM 0 H ALA A 9 -8.350 -5.314 -4.405 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.315 -8.089 -4.159 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.506 -7.621 -1.737 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.341 -6.534 -2.530 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.964 -5.941 -2.106 1.00 42.33 H new ATOM 162 N GLY A 10 -11.285 -6.811 -4.055 1.00 61.41 N ATOM 163 CA GLY A 10 -12.697 -7.141 -3.992 1.00 25.11 C ATOM 164 C GLY A 10 -13.198 -7.791 -5.266 1.00 3.31 C ATOM 165 O GLY A 10 -14.182 -8.530 -5.250 1.00 52.42 O ATOM 0 H GLY A 10 -11.080 -5.866 -4.381 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.873 -7.813 -3.152 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.271 -6.234 -3.801 1.00 25.11 H new ATOM 169 N TYR A 11 -12.521 -7.515 -6.375 1.00 42.22 N ATOM 170 CA TYR A 11 -12.905 -8.073 -7.665 1.00 72.35 C ATOM 171 C TYR A 11 -12.770 -9.593 -7.663 1.00 14.31 C ATOM 172 O TYR A 11 -13.685 -10.310 -8.068 1.00 43.11 O ATOM 173 CB TYR A 11 -12.047 -7.476 -8.781 1.00 61.03 C ATOM 174 CG TYR A 11 -12.279 -8.112 -10.133 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.567 -8.305 -10.618 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.212 -8.520 -10.923 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.784 -8.888 -11.852 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.420 -9.102 -12.159 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.708 -9.284 -12.619 1.00 64.34 C ATOM 180 OH TYR A 11 -12.921 -9.862 -13.849 1.00 61.13 O ATOM 0 H TYR A 11 -11.702 -6.907 -6.406 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.950 -7.818 -7.844 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.251 -6.408 -8.852 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -10.995 -7.582 -8.515 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.412 -7.994 -10.021 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.203 -8.380 -10.565 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.791 -9.033 -12.214 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.579 -9.413 -12.761 1.00 4.31 H new ATOM 0 HH TYR A 11 -12.059 -10.082 -14.261 1.00 61.13 H new ATOM 190 N ASP A 12 -11.621 -10.077 -7.204 1.00 65.02 N ATOM 191 CA ASP A 12 -11.364 -11.511 -7.146 1.00 75.54 C ATOM 192 C ASP A 12 -12.428 -12.220 -6.313 1.00 41.32 C ATOM 193 O ASP A 12 -12.722 -13.395 -6.536 1.00 63.40 O ATOM 194 CB ASP A 12 -9.977 -11.779 -6.559 1.00 50.20 C ATOM 195 CG ASP A 12 -9.414 -13.117 -6.994 1.00 64.33 C ATOM 196 OD1 ASP A 12 -8.978 -13.228 -8.160 1.00 0.04 O ATOM 197 OD2 ASP A 12 -9.407 -14.055 -6.169 1.00 71.04 O1- ATOM 0 H ASP A 12 -10.853 -9.497 -6.867 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.402 -11.904 -8.162 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.296 -10.985 -6.865 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -10.034 -11.748 -5.471 1.00 50.20 H new ATOM 202 N ILE A 13 -12.998 -11.500 -5.354 1.00 22.04 N ATOM 203 CA ILE A 13 -14.029 -12.061 -4.488 1.00 12.43 C ATOM 204 C ILE A 13 -15.400 -11.992 -5.151 1.00 51.45 C ATOM 205 O ILE A 13 -16.246 -12.862 -4.941 1.00 22.14 O ATOM 206 CB ILE A 13 -14.087 -11.328 -3.134 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.687 -11.222 -2.526 1.00 34.34 C ATOM 208 CG2 ILE A 13 -15.031 -12.048 -2.182 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.040 -12.564 -2.261 1.00 32.12 C ATOM 0 H ILE A 13 -12.764 -10.527 -5.156 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.764 -13.104 -4.315 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.468 -10.320 -3.299 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.050 -10.647 -3.198 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.747 -10.666 -1.591 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.061 -11.518 -1.230 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -16.031 -12.076 -2.614 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.677 -13.066 -2.020 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.050 -12.412 -1.830 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.655 -13.133 -1.564 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.948 -13.115 -3.197 1.00 32.12 H new ATOM 221 N ALA A 14 -15.612 -10.954 -5.952 1.00 52.22 N ATOM 222 CA ALA A 14 -16.880 -10.774 -6.649 1.00 55.53 C ATOM 223 C ALA A 14 -17.004 -11.739 -7.823 1.00 42.14 C ATOM 224 O ALA A 14 -18.108 -12.090 -8.238 1.00 70.44 O ATOM 225 CB ALA A 14 -17.019 -9.337 -7.129 1.00 43.50 C ATOM 0 H ALA A 14 -14.923 -10.225 -6.135 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.685 -10.991 -5.947 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.970 -9.217 -7.648 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.985 -8.663 -6.273 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.202 -9.100 -7.810 1.00 43.50 H new ATOM 231 N SER A 15 -15.862 -12.165 -8.356 1.00 12.33 N ATOM 232 CA SER A 15 -15.843 -13.087 -9.486 1.00 20.03 C ATOM 233 C SER A 15 -16.613 -14.363 -9.159 1.00 21.21 C ATOM 234 O SER A 15 -17.472 -14.797 -9.928 1.00 23.43 O ATOM 235 CB SER A 15 -14.401 -13.431 -9.865 1.00 21.01 C ATOM 236 OG SER A 15 -13.774 -12.344 -10.524 1.00 30.13 O ATOM 0 H SER A 15 -14.939 -11.886 -8.023 1.00 12.33 H new ATOM 0 HA SER A 15 -16.327 -12.598 -10.331 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.838 -13.691 -8.968 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.391 -14.308 -10.513 1.00 21.01 H new ATOM 0 HG SER A 15 -13.635 -11.612 -9.888 1.00 30.13 H new ATOM 242 N HIS A 16 -16.298 -14.960 -8.014 1.00 53.24 N ATOM 243 CA HIS A 16 -16.961 -16.186 -7.584 1.00 35.24 C ATOM 244 C HIS A 16 -18.298 -15.877 -6.917 1.00 4.32 C ATOM 245 O HIS A 16 -19.254 -16.642 -7.033 1.00 21.51 O ATOM 246 CB HIS A 16 -16.065 -16.964 -6.620 1.00 4.42 C ATOM 247 CG HIS A 16 -15.852 -16.271 -5.309 1.00 62.13 C ATOM 248 ND1 HIS A 16 -16.744 -16.351 -4.262 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.837 -15.483 -4.880 1.00 31.25 C ATOM 250 CE1 HIS A 16 -16.290 -15.642 -3.245 1.00 21.44 C ATOM 251 NE2 HIS A 16 -15.134 -15.105 -3.594 1.00 3.45 N ATOM 0 H HIS A 16 -15.588 -14.615 -7.368 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.149 -16.796 -8.467 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -16.507 -17.943 -6.436 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -15.098 -17.134 -7.093 1.00 4.42 H new ATOM 0 HD1 HIS A 16 -17.618 -16.876 -4.271 1.00 61.22 H new ATOM 0 HD2 HIS A 16 -13.959 -15.204 -5.444 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -16.780 -15.521 -2.290 1.00 21.44 H new ATOM 259 N LYS A 17 -18.357 -14.748 -6.218 1.00 61.21 N ATOM 260 CA LYS A 17 -19.575 -14.336 -5.532 1.00 22.12 C ATOM 261 C LYS A 17 -20.752 -14.275 -6.501 1.00 0.25 C ATOM 262 O LYS A 17 -21.868 -14.669 -6.165 1.00 10.32 O ATOM 263 CB LYS A 17 -19.375 -12.971 -4.869 1.00 44.13 C ATOM 264 CG LYS A 17 -20.527 -12.557 -3.969 1.00 25.14 C ATOM 265 CD LYS A 17 -20.030 -12.051 -2.626 1.00 21.12 C ATOM 266 CE LYS A 17 -19.736 -10.558 -2.666 1.00 41.30 C ATOM 267 NZ LYS A 17 -18.745 -10.161 -1.628 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.575 -14.102 -6.112 1.00 61.21 H new ATOM 0 HA LYS A 17 -19.798 -15.077 -4.764 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -18.456 -12.992 -4.283 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.241 -12.216 -5.644 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -21.111 -11.778 -4.459 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -21.193 -13.406 -3.815 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -20.778 -12.255 -1.860 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -19.128 -12.593 -2.343 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -19.357 -10.289 -3.652 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -20.661 -10.001 -2.517 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -18.571 -9.137 -1.687 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -19.117 -10.395 -0.685 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -17.854 -10.673 -1.785 1.00 5.43 H new ATOM 281 N LYS A 18 -20.494 -13.780 -7.707 1.00 52.14 N ATOM 282 CA LYS A 18 -21.530 -13.670 -8.727 1.00 54.44 C ATOM 283 C LYS A 18 -20.915 -13.422 -10.101 1.00 32.34 C ATOM 284 O LYS A 18 -19.935 -12.690 -10.232 1.00 34.21 O ATOM 285 CB LYS A 18 -22.499 -12.538 -8.379 1.00 42.22 C ATOM 286 CG LYS A 18 -23.952 -12.976 -8.330 1.00 44.35 C ATOM 287 CD LYS A 18 -24.436 -13.149 -6.900 1.00 64.32 C ATOM 288 CE LYS A 18 -25.176 -14.464 -6.716 1.00 31.44 C ATOM 289 NZ LYS A 18 -26.154 -14.399 -5.595 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.576 -13.448 -8.002 1.00 52.14 H new ATOM 0 HA LYS A 18 -22.077 -14.612 -8.757 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -22.222 -12.118 -7.412 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -22.393 -11.741 -9.115 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -24.573 -12.238 -8.838 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -24.068 -13.916 -8.870 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -23.585 -13.111 -6.220 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -25.093 -12.321 -6.635 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -25.698 -14.719 -7.638 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -24.458 -15.261 -6.525 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -26.637 -15.315 -5.503 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -25.654 -14.181 -4.710 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -26.855 -13.656 -5.789 1.00 32.22 H new ATOM 303 N LYS A 19 -21.499 -14.037 -11.125 1.00 12.44 N ATOM 304 CA LYS A 19 -21.012 -13.882 -12.490 1.00 30.35 C ATOM 305 C LYS A 19 -21.870 -14.679 -13.467 1.00 22.33 C ATOM 306 O LYS A 19 -22.278 -15.804 -13.179 1.00 13.24 O ATOM 307 CB LYS A 19 -19.554 -14.336 -12.588 1.00 52.34 C ATOM 308 CG LYS A 19 -18.632 -13.293 -13.194 1.00 43.25 C ATOM 309 CD LYS A 19 -18.768 -13.240 -14.707 1.00 35.41 C ATOM 310 CE LYS A 19 -19.066 -11.829 -15.190 1.00 22.10 C ATOM 311 NZ LYS A 19 -18.042 -10.855 -14.723 1.00 2.42 N1+ ATOM 0 H LYS A 19 -22.311 -14.648 -11.034 1.00 12.44 H new ATOM 0 HA LYS A 19 -21.076 -12.826 -12.754 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -19.194 -14.592 -11.591 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -19.505 -15.245 -13.188 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -18.862 -12.314 -12.773 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -17.600 -13.520 -12.928 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -17.848 -13.597 -15.169 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -19.566 -13.911 -15.026 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -19.106 -11.819 -16.279 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -20.049 -11.523 -14.832 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -17.966 -10.076 -15.408 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -18.322 -10.475 -13.796 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -17.122 -11.333 -14.638 1.00 2.42 H new ATOM 325 N THR A 20 -22.141 -14.088 -14.628 1.00 74.11 N ATOM 326 CA THR A 20 -22.950 -14.743 -15.648 1.00 2.32 C ATOM 327 C THR A 20 -22.492 -14.351 -17.048 1.00 43.42 C ATOM 328 O THR A 20 -21.455 -13.710 -17.216 1.00 50.52 O ATOM 329 CB THR A 20 -24.442 -14.394 -15.492 1.00 75.53 C ATOM 330 OG1 THR A 20 -24.661 -13.020 -15.835 1.00 14.51 O ATOM 331 CG2 THR A 20 -24.911 -14.646 -14.067 1.00 11.21 C ATOM 0 H THR A 20 -21.812 -13.157 -14.884 1.00 74.11 H new ATOM 0 HA THR A 20 -22.820 -15.817 -15.513 1.00 2.32 H new ATOM 0 HB THR A 20 -25.014 -15.033 -16.164 1.00 75.53 H new ATOM 0 HG1 THR A 20 -25.349 -12.642 -15.248 1.00 14.51 H new ATOM 0 HG21 THR A 20 -25.968 -14.392 -13.981 1.00 11.21 H new ATOM 0 HG22 THR A 20 -24.769 -15.698 -13.818 1.00 11.21 H new ATOM 0 HG23 THR A 20 -24.333 -14.029 -13.379 1.00 11.21 H new ATOM 339 N GLY A 21 -23.271 -14.741 -18.052 1.00 32.30 N ATOM 340 CA GLY A 21 -22.929 -14.420 -19.426 1.00 50.33 C ATOM 341 C GLY A 21 -24.140 -14.029 -20.249 1.00 2.24 C ATOM 342 O GLY A 21 -24.648 -14.826 -21.035 1.00 35.14 O ATOM 0 H GLY A 21 -24.133 -15.274 -17.939 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -22.208 -13.603 -19.436 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -22.443 -15.280 -19.887 1.00 50.33 H new ATOM 346 N GLY A 22 -24.604 -12.797 -20.067 1.00 31.51 N ATOM 347 CA GLY A 22 -25.760 -12.323 -20.805 1.00 45.51 C ATOM 348 C GLY A 22 -27.044 -12.442 -20.009 1.00 10.31 C ATOM 349 O GLY A 22 -27.484 -13.546 -19.686 1.00 73.31 O ATOM 0 H GLY A 22 -24.200 -12.118 -19.422 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -25.606 -11.281 -21.086 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -25.855 -12.892 -21.730 1.00 45.51 H new ATOM 353 N TYR A 23 -27.648 -11.303 -19.689 1.00 71.54 N ATOM 354 CA TYR A 23 -28.888 -11.283 -18.921 1.00 55.03 C ATOM 355 C TYR A 23 -30.100 -11.263 -19.846 1.00 51.04 C ATOM 356 O TYR A 23 -30.027 -10.842 -21.001 1.00 40.24 O ATOM 357 CB TYR A 23 -28.919 -10.067 -17.993 1.00 51.42 C ATOM 358 CG TYR A 23 -27.703 -9.953 -17.104 1.00 14.11 C ATOM 359 CD1 TYR A 23 -26.516 -9.410 -17.583 1.00 54.44 C ATOM 360 CD2 TYR A 23 -27.739 -10.386 -15.785 1.00 31.13 C ATOM 361 CE1 TYR A 23 -25.401 -9.305 -16.774 1.00 73.33 C ATOM 362 CE2 TYR A 23 -26.630 -10.282 -14.967 1.00 4.11 C ATOM 363 CZ TYR A 23 -25.463 -9.741 -15.467 1.00 61.03 C ATOM 364 OH TYR A 23 -24.356 -9.638 -14.656 1.00 22.01 O ATOM 0 H TYR A 23 -27.299 -10.381 -19.950 1.00 71.54 H new ATOM 0 HA TYR A 23 -28.928 -12.191 -18.319 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -29.004 -9.163 -18.596 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -29.811 -10.119 -17.369 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -26.465 -9.064 -18.605 1.00 54.44 H new ATOM 0 HD2 TYR A 23 -28.650 -10.812 -15.391 1.00 31.13 H new ATOM 0 HE1 TYR A 23 -24.486 -8.884 -17.163 1.00 73.33 H new ATOM 0 HE2 TYR A 23 -26.676 -10.622 -13.943 1.00 4.11 H new ATOM 0 HH TYR A 23 -24.569 -9.989 -13.766 1.00 22.01 H new ATOM 374 N PRO A 24 -31.246 -11.729 -19.327 1.00 64.11 N ATOM 375 CA PRO A 24 -32.498 -11.775 -20.088 1.00 61.32 C ATOM 376 C PRO A 24 -33.069 -10.385 -20.350 1.00 73.43 C ATOM 377 O PRO A 24 -33.775 -10.170 -21.335 1.00 43.22 O ATOM 378 CB PRO A 24 -33.436 -12.575 -19.180 1.00 74.10 C ATOM 379 CG PRO A 24 -32.898 -12.370 -17.806 1.00 61.12 C ATOM 380 CD PRO A 24 -31.407 -12.247 -17.958 1.00 71.12 C ATOM 0 HA PRO A 24 -32.359 -12.216 -21.075 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -34.463 -12.219 -19.260 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -33.442 -13.631 -19.449 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -33.319 -11.473 -17.352 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -33.156 -13.207 -17.157 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -30.982 -11.568 -17.219 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -30.909 -13.208 -17.831 1.00 71.12 H new ATOM 388 N TRP A 25 -32.757 -9.447 -19.464 1.00 72.25 N ATOM 389 CA TRP A 25 -33.239 -8.076 -19.600 1.00 30.04 C ATOM 390 C TRP A 25 -32.080 -7.112 -19.829 1.00 53.24 C ATOM 391 O TRP A 25 -32.237 -6.086 -20.490 1.00 23.21 O ATOM 392 CB TRP A 25 -34.024 -7.664 -18.355 1.00 34.53 C ATOM 393 CG TRP A 25 -33.179 -6.994 -17.314 1.00 21.43 C ATOM 394 CD1 TRP A 25 -33.124 -5.658 -17.038 1.00 33.43 C ATOM 395 CD2 TRP A 25 -32.265 -7.631 -16.414 1.00 71.34 C ATOM 396 NE1 TRP A 25 -32.231 -5.425 -16.019 1.00 42.31 N ATOM 397 CE2 TRP A 25 -31.693 -6.618 -15.618 1.00 15.21 C ATOM 398 CE3 TRP A 25 -31.877 -8.956 -16.200 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -30.753 -6.893 -14.628 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -30.945 -9.226 -15.217 1.00 43.32 C ATOM 401 CH2 TRP A 25 -30.391 -8.200 -14.441 1.00 1.43 C ATOM 0 H TRP A 25 -32.173 -9.609 -18.644 1.00 72.25 H new ATOM 0 HA TRP A 25 -33.899 -8.033 -20.467 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -34.829 -6.990 -18.648 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -34.491 -8.548 -17.920 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -33.698 -4.896 -17.545 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -32.006 -4.511 -15.626 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -32.298 -9.755 -16.792 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -30.325 -6.103 -14.029 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -30.638 -10.247 -15.044 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -29.664 -8.445 -13.680 1.00 1.43 H new ATOM 412 N GLU A 26 -30.919 -7.449 -19.279 1.00 72.34 N ATOM 413 CA GLU A 26 -29.733 -6.612 -19.423 1.00 31.52 C ATOM 414 C GLU A 26 -28.799 -7.171 -20.492 1.00 33.20 C ATOM 415 O GLU A 26 -27.875 -7.927 -20.191 1.00 21.44 O ATOM 416 CB GLU A 26 -28.993 -6.503 -18.089 1.00 44.33 C ATOM 417 CG GLU A 26 -29.069 -5.120 -17.462 1.00 60.34 C ATOM 418 CD GLU A 26 -27.702 -4.550 -17.137 1.00 44.43 C ATOM 419 OE1 GLU A 26 -27.085 -3.943 -18.037 1.00 23.22 O ATOM 420 OE2 GLU A 26 -27.250 -4.712 -15.984 1.00 4.41 O1- ATOM 0 H GLU A 26 -30.773 -8.296 -18.729 1.00 72.34 H new ATOM 0 HA GLU A 26 -30.057 -5.618 -19.732 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -29.408 -7.232 -17.393 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -27.946 -6.767 -18.241 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -29.587 -4.445 -18.143 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -29.663 -5.171 -16.550 1.00 60.34 H new ATOM 427 N ARG A 27 -29.046 -6.792 -21.742 1.00 44.35 N ATOM 428 CA ARG A 27 -28.227 -7.257 -22.857 1.00 14.45 C ATOM 429 C ARG A 27 -27.186 -6.210 -23.240 1.00 63.40 C ATOM 430 O ARG A 27 -26.127 -6.538 -23.773 1.00 51.24 O ATOM 431 CB ARG A 27 -29.110 -7.581 -24.063 1.00 64.51 C ATOM 432 CG ARG A 27 -28.436 -8.483 -25.085 1.00 64.01 C ATOM 433 CD ARG A 27 -28.052 -7.714 -26.340 1.00 33.30 C ATOM 434 NE ARG A 27 -29.218 -7.150 -27.014 1.00 54.14 N ATOM 435 CZ ARG A 27 -30.049 -7.863 -27.767 1.00 4.33 C ATOM 436 NH1 ARG A 27 -29.843 -9.161 -27.939 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -31.087 -7.277 -28.348 1.00 42.52 N ATOM 0 H ARG A 27 -29.805 -6.165 -22.008 1.00 44.35 H new ATOM 0 HA ARG A 27 -27.707 -8.162 -22.543 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -30.025 -8.060 -23.715 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -29.403 -6.650 -24.549 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -27.545 -8.931 -24.645 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -29.107 -9.300 -25.349 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -27.362 -6.912 -26.077 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -27.523 -8.378 -27.024 1.00 33.30 H new ATOM 0 HE ARG A 27 -29.405 -6.154 -26.901 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -29.046 -9.614 -27.493 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -30.482 -9.707 -28.517 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -31.248 -6.278 -28.217 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -31.724 -7.825 -28.926 1.00 42.52 H new ATOM 451 N GLY A 28 -27.496 -4.946 -22.964 1.00 65.44 N ATOM 452 CA GLY A 28 -26.576 -3.871 -23.287 1.00 65.51 C ATOM 453 C GLY A 28 -26.778 -2.652 -22.408 1.00 63.23 C ATOM 454 O GLY A 28 -27.887 -2.127 -22.308 1.00 64.12 O ATOM 0 H GLY A 28 -28.366 -4.648 -22.523 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -25.552 -4.228 -23.178 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -26.705 -3.588 -24.332 1.00 65.51 H new ATOM 458 N LYS A 29 -25.704 -2.201 -21.770 1.00 32.43 N ATOM 459 CA LYS A 29 -25.768 -1.036 -20.894 1.00 50.03 C ATOM 460 C LYS A 29 -25.443 0.240 -21.663 1.00 32.31 C ATOM 461 O LYS A 29 -25.901 1.325 -21.305 1.00 52.13 O ATOM 462 CB LYS A 29 -24.797 -1.200 -19.723 1.00 52.24 C ATOM 463 CG LYS A 29 -23.335 -1.108 -20.127 1.00 1.10 C ATOM 464 CD LYS A 29 -22.413 -1.330 -18.939 1.00 42.12 C ATOM 465 CE LYS A 29 -21.007 -0.826 -19.223 1.00 31.11 C ATOM 466 NZ LYS A 29 -20.645 0.326 -18.352 1.00 23.05 N1+ ATOM 0 H LYS A 29 -24.779 -2.624 -21.843 1.00 32.43 H new ATOM 0 HA LYS A 29 -26.784 -0.958 -20.507 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -25.008 -0.434 -18.977 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -24.974 -2.165 -19.248 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -23.122 -1.849 -20.897 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -23.138 -0.129 -20.564 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -22.815 -0.818 -18.065 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -22.378 -2.392 -18.698 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -20.293 -1.635 -19.070 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -20.932 -0.528 -20.269 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -19.679 0.641 -18.576 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -21.311 1.108 -18.516 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -20.692 0.035 -17.355 1.00 23.05 H new ATOM 480 N ALA A 30 -24.650 0.103 -22.721 1.00 52.51 N ATOM 481 CA ALA A 30 -24.267 1.245 -23.541 1.00 34.32 C ATOM 482 C ALA A 30 -25.407 1.665 -24.464 1.00 4.04 C ATOM 483 O ALA A 30 -25.688 0.999 -25.460 1.00 72.01 O ATOM 484 CB ALA A 30 -23.022 0.919 -24.352 1.00 45.32 C ATOM 0 H ALA A 30 -24.261 -0.788 -23.030 1.00 52.51 H new ATOM 0 HA ALA A 30 -24.046 2.080 -22.876 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -22.748 1.781 -24.960 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -22.202 0.675 -23.677 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -23.223 0.067 -25.001 1.00 45.32 H new TER 490 ALA A 30