USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=7 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+ 154:sc= 0.0257 (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= 0.0499 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= -0.0603 X(o=-0.06,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.16 (180deg=-0.642) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 49:sc= 0.895 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 2.531 0.950 0.073 1.00 45.13 N ATOM 2 CA MET A 1 1.715 -0.009 -0.662 1.00 22.32 C ATOM 3 C MET A 1 0.689 0.706 -1.536 1.00 60.01 C ATOM 4 O MET A 1 0.282 1.830 -1.240 1.00 15.42 O ATOM 5 CB MET A 1 1.005 -0.955 0.309 1.00 71.13 C ATOM 6 CG MET A 1 1.438 -2.406 0.171 1.00 13.53 C ATOM 7 SD MET A 1 1.061 -3.385 1.636 1.00 44.03 S ATOM 8 CE MET A 1 -0.174 -4.508 0.985 1.00 62.12 C ATOM 0 H1 MET A 1 2.889 0.506 0.943 1.00 45.13 H new ATOM 0 H2 MET A 1 3.332 1.249 -0.518 1.00 45.13 H new ATOM 0 H3 MET A 1 1.954 1.780 0.320 1.00 45.13 H new ATOM 0 HA MET A 1 2.374 -0.589 -1.308 1.00 22.32 H new ATOM 0 HB2 MET A 1 1.194 -0.624 1.330 1.00 71.13 H new ATOM 0 HB3 MET A 1 -0.071 -0.889 0.147 1.00 71.13 H new ATOM 0 HG2 MET A 1 0.943 -2.848 -0.694 1.00 13.53 H new ATOM 0 HG3 MET A 1 2.510 -2.444 -0.021 1.00 13.53 H new ATOM 0 HE1 MET A 1 -0.507 -5.180 1.776 1.00 62.12 H new ATOM 0 HE2 MET A 1 -1.024 -3.937 0.612 1.00 62.12 H new ATOM 0 HE3 MET A 1 0.257 -5.091 0.171 1.00 62.12 H new ATOM 18 N LYS A 2 0.274 0.047 -2.613 1.00 43.02 N ATOM 19 CA LYS A 2 -0.705 0.619 -3.530 1.00 24.01 C ATOM 20 C LYS A 2 -2.079 0.704 -2.874 1.00 21.24 C ATOM 21 O LYS A 2 -2.470 -0.178 -2.110 1.00 41.40 O ATOM 22 CB LYS A 2 -0.788 -0.220 -4.808 1.00 42.41 C ATOM 23 CG LYS A 2 0.224 0.182 -5.867 1.00 13.34 C ATOM 24 CD LYS A 2 0.396 -0.904 -6.914 1.00 42.34 C ATOM 25 CE LYS A 2 1.009 -0.354 -8.192 1.00 74.33 C ATOM 26 NZ LYS A 2 -0.017 0.253 -9.085 1.00 51.53 N1+ ATOM 0 H LYS A 2 0.601 -0.884 -2.872 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.381 1.628 -3.786 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.638 -1.269 -4.554 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.791 -0.133 -5.225 1.00 42.41 H new ATOM 0 HG2 LYS A 2 -0.099 1.105 -6.349 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.184 0.388 -5.394 1.00 13.34 H new ATOM 0 HD2 LYS A 2 1.030 -1.697 -6.517 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.572 -1.352 -7.137 1.00 42.34 H new ATOM 0 HE2 LYS A 2 1.760 0.395 -7.941 1.00 74.33 H new ATOM 0 HE3 LYS A 2 1.523 -1.156 -8.722 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 0.442 0.616 -9.945 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 -0.720 -0.467 -9.346 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 -0.490 1.035 -8.589 1.00 51.53 H new ATOM 40 N THR A 3 -2.811 1.772 -3.180 1.00 15.52 N ATOM 41 CA THR A 3 -4.141 1.972 -2.621 1.00 53.32 C ATOM 42 C THR A 3 -5.199 1.251 -3.447 1.00 71.41 C ATOM 43 O THR A 3 -6.311 1.011 -2.977 1.00 32.43 O ATOM 44 CB THR A 3 -4.498 3.468 -2.542 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.391 4.260 -2.985 1.00 34.20 O ATOM 46 CG2 THR A 3 -4.874 3.862 -1.122 1.00 15.42 C ATOM 0 H THR A 3 -2.504 2.511 -3.812 1.00 15.52 H new ATOM 0 HA THR A 3 -4.126 1.556 -1.613 1.00 53.32 H new ATOM 0 HB THR A 3 -5.356 3.648 -3.190 1.00 3.35 H new ATOM 0 HG1 THR A 3 -3.627 5.210 -2.933 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.122 4.923 -1.092 1.00 15.42 H new ATOM 0 HG22 THR A 3 -5.736 3.279 -0.799 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.034 3.667 -0.456 1.00 15.42 H new ATOM 54 N ILE A 4 -4.846 0.908 -4.682 1.00 72.43 N ATOM 55 CA ILE A 4 -5.766 0.213 -5.574 1.00 30.21 C ATOM 56 C ILE A 4 -5.909 -1.254 -5.180 1.00 53.51 C ATOM 57 O ILE A 4 -6.901 -1.903 -5.515 1.00 24.42 O ATOM 58 CB ILE A 4 -5.300 0.297 -7.040 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.909 -0.322 -7.191 1.00 64.31 C ATOM 60 CG2 ILE A 4 -5.297 1.742 -7.512 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.937 -1.783 -7.585 1.00 71.24 C ATOM 0 H ILE A 4 -3.930 1.100 -5.087 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.733 0.708 -5.480 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.997 -0.266 -7.661 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -3.351 0.238 -7.941 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.370 -0.218 -6.249 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.966 1.785 -8.549 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -6.304 2.152 -7.435 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.619 2.327 -6.890 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.916 -2.156 -7.674 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.467 -2.355 -6.824 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -4.448 -1.892 -8.542 1.00 71.24 H new ATOM 73 N LEU A 5 -4.914 -1.769 -4.467 1.00 20.13 N ATOM 74 CA LEU A 5 -4.930 -3.159 -4.026 1.00 54.31 C ATOM 75 C LEU A 5 -6.224 -3.481 -3.285 1.00 41.10 C ATOM 76 O LEU A 5 -6.881 -4.482 -3.571 1.00 54.45 O ATOM 77 CB LEU A 5 -3.728 -3.441 -3.122 1.00 10.23 C ATOM 78 CG LEU A 5 -2.380 -2.914 -3.614 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.271 -3.299 -2.646 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.079 -3.442 -5.009 1.00 23.34 C ATOM 0 H LEU A 5 -4.086 -1.245 -4.182 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.871 -3.795 -4.909 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.928 -3.010 -2.141 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.646 -4.519 -2.986 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.432 -1.826 -3.662 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.319 -2.915 -3.012 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.480 -2.873 -1.665 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.218 -4.385 -2.566 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.116 -3.057 -5.344 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.046 -4.531 -4.987 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.859 -3.116 -5.697 1.00 23.34 H new ATOM 92 N ARG A 6 -6.584 -2.626 -2.335 1.00 71.11 N ATOM 93 CA ARG A 6 -7.801 -2.818 -1.555 1.00 53.00 C ATOM 94 C ARG A 6 -9.019 -2.930 -2.466 1.00 15.40 C ATOM 95 O ARG A 6 -9.970 -3.651 -2.163 1.00 4.20 O ATOM 96 CB ARG A 6 -7.990 -1.661 -0.572 1.00 71.24 C ATOM 97 CG ARG A 6 -6.826 -1.480 0.388 1.00 71.42 C ATOM 98 CD ARG A 6 -7.281 -0.883 1.711 1.00 1.32 C ATOM 99 NE ARG A 6 -6.580 -1.474 2.847 1.00 13.11 N ATOM 100 CZ ARG A 6 -5.342 -1.143 3.199 1.00 74.41 C ATOM 101 NH1 ARG A 6 -4.674 -0.231 2.507 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -4.771 -1.724 4.246 1.00 75.54 N ATOM 0 H ARG A 6 -6.051 -1.793 -2.086 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.701 -3.748 -0.996 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -8.133 -0.738 -1.134 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -8.901 -1.829 0.003 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -6.348 -2.443 0.568 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.076 -0.832 -0.066 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -7.111 0.194 1.700 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -8.354 -1.035 1.828 1.00 1.32 H new ATOM 0 HE ARG A 6 -7.067 -2.179 3.400 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -5.110 0.219 1.702 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -3.724 0.021 2.779 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -5.282 -2.426 4.782 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -3.821 -1.469 4.515 1.00 75.54 H new ATOM 116 N PHE A 7 -8.984 -2.213 -3.584 1.00 62.32 N ATOM 117 CA PHE A 7 -10.086 -2.230 -4.539 1.00 71.51 C ATOM 118 C PHE A 7 -10.105 -3.539 -5.323 1.00 5.41 C ATOM 119 O PHE A 7 -11.076 -4.293 -5.270 1.00 43.40 O ATOM 120 CB PHE A 7 -9.972 -1.046 -5.503 1.00 55.54 C ATOM 121 CG PHE A 7 -10.215 0.284 -4.849 1.00 32.55 C ATOM 122 CD1 PHE A 7 -9.187 0.948 -4.197 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.470 0.871 -4.886 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.408 2.172 -3.595 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.695 2.095 -4.285 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.663 2.747 -3.640 1.00 22.42 C ATOM 0 H PHE A 7 -8.204 -1.613 -3.851 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.019 -2.147 -3.982 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.978 -1.046 -5.950 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.687 -1.179 -6.315 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.203 0.504 -4.159 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.281 0.366 -5.390 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.599 2.679 -3.089 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.678 2.541 -4.320 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.837 3.705 -3.172 1.00 22.42 H new ATOM 136 N VAL A 8 -9.024 -3.802 -6.051 1.00 53.12 N ATOM 137 CA VAL A 8 -8.915 -5.019 -6.846 1.00 31.45 C ATOM 138 C VAL A 8 -9.101 -6.260 -5.980 1.00 55.51 C ATOM 139 O VAL A 8 -9.547 -7.302 -6.459 1.00 51.14 O ATOM 140 CB VAL A 8 -7.552 -5.103 -7.559 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.436 -5.326 -6.551 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.567 -6.208 -8.605 1.00 55.23 C ATOM 0 H VAL A 8 -8.211 -3.188 -6.106 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.707 -4.980 -7.594 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.366 -4.156 -8.066 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.481 -5.383 -7.073 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.414 -4.497 -5.843 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.612 -6.258 -6.014 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.597 -6.254 -9.100 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.774 -7.163 -8.122 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.341 -5.999 -9.344 1.00 55.23 H new ATOM 152 N ALA A 9 -8.757 -6.139 -4.702 1.00 65.43 N ATOM 153 CA ALA A 9 -8.889 -7.251 -3.768 1.00 41.13 C ATOM 154 C ALA A 9 -10.339 -7.710 -3.662 1.00 25.11 C ATOM 155 O ALA A 9 -10.614 -8.847 -3.279 1.00 71.55 O ATOM 156 CB ALA A 9 -8.358 -6.854 -2.398 1.00 42.33 C ATOM 0 H ALA A 9 -8.385 -5.283 -4.290 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.298 -8.085 -4.148 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.462 -7.693 -1.710 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.306 -6.581 -2.481 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.925 -6.003 -2.021 1.00 42.33 H new ATOM 162 N GLY A 10 -11.264 -6.818 -4.004 1.00 61.41 N ATOM 163 CA GLY A 10 -12.676 -7.152 -3.941 1.00 25.11 C ATOM 164 C GLY A 10 -13.182 -7.777 -5.225 1.00 3.31 C ATOM 165 O GLY A 10 -14.155 -8.533 -5.214 1.00 52.42 O ATOM 0 H GLY A 10 -11.061 -5.871 -4.323 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.847 -7.841 -3.114 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.250 -6.250 -3.729 1.00 25.11 H new ATOM 169 N TYR A 11 -12.524 -7.461 -6.335 1.00 42.22 N ATOM 170 CA TYR A 11 -12.916 -7.994 -7.633 1.00 72.35 C ATOM 171 C TYR A 11 -12.740 -9.510 -7.676 1.00 14.31 C ATOM 172 O TYR A 11 -13.643 -10.240 -8.084 1.00 43.11 O ATOM 173 CB TYR A 11 -12.094 -7.342 -8.746 1.00 61.03 C ATOM 174 CG TYR A 11 -12.310 -7.968 -10.105 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.585 -8.299 -10.545 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.238 -8.227 -10.951 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.788 -8.871 -11.786 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.430 -8.797 -12.194 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.706 -9.118 -12.607 1.00 64.34 C ATOM 180 OH TYR A 11 -12.903 -9.686 -13.844 1.00 61.13 O ATOM 0 H TYR A 11 -11.717 -6.838 -6.361 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.970 -7.764 -7.788 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.346 -6.283 -8.799 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -11.036 -7.406 -8.490 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.433 -8.106 -9.905 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.237 -7.978 -10.630 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.786 -9.123 -12.112 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.586 -8.990 -12.839 1.00 4.31 H new ATOM 0 HH TYR A 11 -12.040 -9.792 -14.296 1.00 61.13 H new ATOM 190 N ASP A 12 -11.570 -9.975 -7.254 1.00 65.02 N ATOM 191 CA ASP A 12 -11.273 -11.402 -7.242 1.00 75.54 C ATOM 192 C ASP A 12 -12.329 -12.170 -6.454 1.00 41.32 C ATOM 193 O ASP A 12 -12.579 -13.347 -6.716 1.00 63.40 O ATOM 194 CB ASP A 12 -9.889 -11.652 -6.640 1.00 50.20 C ATOM 195 CG ASP A 12 -9.249 -12.921 -7.168 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.125 -13.053 -8.404 1.00 71.04 O1- ATOM 197 OD2 ASP A 12 -8.872 -13.782 -6.346 1.00 0.04 O ATOM 0 H ASP A 12 -10.811 -9.384 -6.915 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.283 -11.758 -8.272 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.242 -10.803 -6.860 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -9.974 -11.715 -5.555 1.00 50.20 H new ATOM 202 N ILE A 13 -12.946 -11.497 -5.488 1.00 22.04 N ATOM 203 CA ILE A 13 -13.975 -12.116 -4.663 1.00 12.43 C ATOM 204 C ILE A 13 -15.344 -12.022 -5.328 1.00 51.45 C ATOM 205 O ILE A 13 -16.202 -12.881 -5.129 1.00 22.14 O ATOM 206 CB ILE A 13 -14.048 -11.463 -3.270 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.654 -11.384 -2.645 1.00 34.34 C ATOM 208 CG2 ILE A 13 -14.995 -12.241 -2.369 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.035 -12.738 -2.376 1.00 32.12 C ATOM 0 H ILE A 13 -12.751 -10.523 -5.258 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.700 -13.165 -4.550 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.433 -10.449 -3.381 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -11.999 -10.819 -3.308 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.715 -10.829 -1.709 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.036 -11.767 -1.388 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -15.992 -12.249 -2.810 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.637 -13.265 -2.263 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.048 -12.605 -1.933 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.669 -13.298 -1.688 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.941 -13.288 -3.313 1.00 32.12 H new ATOM 221 N ALA A 14 -15.539 -10.975 -6.122 1.00 52.22 N ATOM 222 CA ALA A 14 -16.802 -10.771 -6.821 1.00 55.53 C ATOM 223 C ALA A 14 -16.980 -11.789 -7.942 1.00 42.14 C ATOM 224 O ALA A 14 -18.103 -12.100 -8.339 1.00 70.44 O ATOM 225 CB ALA A 14 -16.877 -9.355 -7.375 1.00 43.50 C ATOM 0 H ALA A 14 -14.839 -10.255 -6.298 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.611 -10.913 -6.105 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.825 -9.217 -7.894 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.804 -8.640 -6.556 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.055 -9.193 -8.072 1.00 43.50 H new ATOM 231 N SER A 15 -15.864 -12.304 -8.449 1.00 12.33 N ATOM 232 CA SER A 15 -15.897 -13.285 -9.528 1.00 20.03 C ATOM 233 C SER A 15 -16.704 -14.514 -9.121 1.00 21.21 C ATOM 234 O SER A 15 -17.504 -15.032 -9.901 1.00 23.43 O ATOM 235 CB SER A 15 -14.475 -13.700 -9.913 1.00 21.01 C ATOM 236 OG SER A 15 -13.944 -12.838 -10.903 1.00 30.13 O ATOM 0 H SER A 15 -14.927 -12.059 -8.130 1.00 12.33 H new ATOM 0 HA SER A 15 -16.379 -12.824 -10.390 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.836 -13.683 -9.030 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.479 -14.725 -10.283 1.00 21.01 H new ATOM 0 HG SER A 15 -13.034 -13.123 -11.131 1.00 30.13 H new ATOM 242 N HIS A 16 -16.489 -14.976 -7.893 1.00 53.24 N ATOM 243 CA HIS A 16 -17.197 -16.145 -7.380 1.00 35.24 C ATOM 244 C HIS A 16 -18.602 -15.769 -6.920 1.00 4.32 C ATOM 245 O HIS A 16 -19.551 -16.532 -7.103 1.00 21.51 O ATOM 246 CB HIS A 16 -16.418 -16.770 -6.223 1.00 4.42 C ATOM 247 CG HIS A 16 -15.133 -17.414 -6.645 1.00 62.13 C ATOM 248 ND1 HIS A 16 -14.356 -18.172 -5.794 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.491 -17.411 -7.836 1.00 31.25 C ATOM 250 CE1 HIS A 16 -13.290 -18.606 -6.443 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.348 -18.158 -7.685 1.00 3.45 N ATOM 0 H HIS A 16 -15.831 -14.559 -7.235 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.281 -16.873 -8.187 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -16.203 -16.000 -5.483 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -17.045 -17.516 -5.734 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -14.817 -16.914 -8.738 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -12.505 -19.222 -6.029 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.657 -18.338 -8.413 1.00 3.45 H new ATOM 259 N LYS A 17 -18.728 -14.590 -6.320 1.00 61.21 N ATOM 260 CA LYS A 17 -20.017 -14.113 -5.834 1.00 22.12 C ATOM 261 C LYS A 17 -21.049 -14.091 -6.957 1.00 0.25 C ATOM 262 O LYS A 17 -22.231 -14.354 -6.734 1.00 10.32 O ATOM 263 CB LYS A 17 -19.871 -12.712 -5.233 1.00 44.13 C ATOM 264 CG LYS A 17 -21.164 -12.161 -4.658 1.00 25.14 C ATOM 265 CD LYS A 17 -21.040 -10.684 -4.323 1.00 21.12 C ATOM 266 CE LYS A 17 -21.177 -9.818 -5.566 1.00 41.30 C ATOM 267 NZ LYS A 17 -21.764 -8.486 -5.252 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.953 -13.947 -6.159 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.363 -14.800 -5.061 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -19.116 -12.739 -4.447 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.506 -12.032 -6.002 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -21.973 -12.306 -5.374 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -21.430 -12.718 -3.760 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -21.807 -10.408 -3.600 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -20.075 -10.496 -3.852 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -20.197 -9.684 -6.025 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -21.804 -10.328 -6.297 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -21.841 -7.926 -6.125 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -22.709 -8.612 -4.837 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -21.152 -7.988 -4.574 1.00 5.43 H new ATOM 281 N LYS A 18 -20.594 -13.777 -8.165 1.00 52.14 N ATOM 282 CA LYS A 18 -21.477 -13.723 -9.325 1.00 54.44 C ATOM 283 C LYS A 18 -22.558 -12.662 -9.137 1.00 32.34 C ATOM 284 O LYS A 18 -23.628 -12.941 -8.598 1.00 34.21 O ATOM 285 CB LYS A 18 -22.124 -15.089 -9.563 1.00 42.22 C ATOM 286 CG LYS A 18 -22.408 -15.381 -11.026 1.00 44.35 C ATOM 287 CD LYS A 18 -22.026 -16.804 -11.396 1.00 64.32 C ATOM 288 CE LYS A 18 -22.806 -17.294 -12.606 1.00 31.44 C ATOM 289 NZ LYS A 18 -24.269 -17.367 -12.333 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.619 -13.556 -8.367 1.00 52.14 H new ATOM 0 HA LYS A 18 -20.877 -13.455 -10.195 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -21.470 -15.865 -9.167 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -23.057 -15.142 -9.003 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -23.467 -15.223 -11.230 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -21.855 -14.681 -11.652 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -20.958 -16.852 -11.607 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -22.214 -17.464 -10.549 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -22.627 -16.625 -13.448 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -22.442 -18.279 -12.898 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -24.703 -18.078 -12.955 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -24.424 -17.635 -11.340 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -24.702 -16.439 -12.513 1.00 32.22 H new ATOM 303 N LYS A 19 -22.270 -11.445 -9.588 1.00 12.44 N ATOM 304 CA LYS A 19 -23.218 -10.344 -9.473 1.00 30.35 C ATOM 305 C LYS A 19 -24.413 -10.555 -10.397 1.00 22.33 C ATOM 306 O LYS A 19 -25.437 -9.882 -10.271 1.00 13.24 O ATOM 307 CB LYS A 19 -22.531 -9.016 -9.806 1.00 52.34 C ATOM 308 CG LYS A 19 -22.190 -8.861 -11.278 1.00 43.25 C ATOM 309 CD LYS A 19 -23.253 -8.068 -12.016 1.00 35.41 C ATOM 310 CE LYS A 19 -23.077 -6.571 -11.811 1.00 22.10 C ATOM 311 NZ LYS A 19 -23.480 -5.794 -13.015 1.00 2.42 N1+ ATOM 0 H LYS A 19 -21.388 -11.197 -10.036 1.00 12.44 H new ATOM 0 HA LYS A 19 -23.578 -10.313 -8.444 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -23.180 -8.195 -9.503 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -21.616 -8.932 -9.219 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -21.227 -8.361 -11.378 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -22.087 -9.846 -11.734 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -23.206 -8.298 -13.080 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -24.241 -8.370 -11.668 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -23.672 -6.249 -10.956 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -22.035 -6.357 -11.573 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -23.345 -4.779 -12.834 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -22.896 -6.082 -13.826 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -24.481 -5.978 -13.227 1.00 2.42 H new ATOM 325 N THR A 20 -24.278 -11.497 -11.327 1.00 74.11 N ATOM 326 CA THR A 20 -25.346 -11.797 -12.271 1.00 2.32 C ATOM 327 C THR A 20 -26.357 -12.765 -11.668 1.00 43.42 C ATOM 328 O THR A 20 -26.335 -13.962 -11.955 1.00 50.52 O ATOM 329 CB THR A 20 -24.791 -12.400 -13.575 1.00 75.53 C ATOM 330 OG1 THR A 20 -24.100 -13.622 -13.294 1.00 14.51 O ATOM 331 CG2 THR A 20 -23.846 -11.425 -14.262 1.00 11.21 C ATOM 0 H THR A 20 -23.439 -12.065 -11.445 1.00 74.11 H new ATOM 0 HA THR A 20 -25.841 -10.853 -12.498 1.00 2.32 H new ATOM 0 HB THR A 20 -25.629 -12.602 -14.242 1.00 75.53 H new ATOM 0 HG1 THR A 20 -24.659 -14.190 -12.724 1.00 14.51 H new ATOM 0 HG21 THR A 20 -23.466 -11.872 -15.181 1.00 11.21 H new ATOM 0 HG22 THR A 20 -24.381 -10.506 -14.500 1.00 11.21 H new ATOM 0 HG23 THR A 20 -23.012 -11.197 -13.598 1.00 11.21 H new ATOM 339 N GLY A 21 -27.245 -12.241 -10.828 1.00 32.30 N ATOM 340 CA GLY A 21 -28.252 -13.073 -10.198 1.00 50.33 C ATOM 341 C GLY A 21 -28.892 -12.402 -8.999 1.00 2.24 C ATOM 342 O GLY A 21 -29.011 -13.002 -7.933 1.00 35.14 O ATOM 0 H GLY A 21 -27.284 -11.254 -10.573 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -29.024 -13.319 -10.927 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -27.798 -14.013 -9.885 1.00 50.33 H new ATOM 346 N GLY A 22 -29.305 -11.150 -9.174 1.00 31.51 N ATOM 347 CA GLY A 22 -29.930 -10.416 -8.089 1.00 45.51 C ATOM 348 C GLY A 22 -30.954 -9.411 -8.582 1.00 10.31 C ATOM 349 O GLY A 22 -31.054 -8.306 -8.049 1.00 73.31 O ATOM 0 H GLY A 22 -29.218 -10.631 -10.048 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -30.413 -11.119 -7.410 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -29.162 -9.896 -7.516 1.00 45.51 H new ATOM 353 N TYR A 23 -31.712 -9.795 -9.603 1.00 71.54 N ATOM 354 CA TYR A 23 -32.729 -8.917 -10.170 1.00 55.03 C ATOM 355 C TYR A 23 -34.123 -9.511 -9.988 1.00 51.04 C ATOM 356 O TYR A 23 -34.297 -10.720 -9.838 1.00 40.24 O ATOM 357 CB TYR A 23 -32.454 -8.677 -11.655 1.00 51.42 C ATOM 358 CG TYR A 23 -31.056 -8.178 -11.940 1.00 14.11 C ATOM 359 CD1 TYR A 23 -29.982 -9.059 -12.003 1.00 31.13 C ATOM 360 CD2 TYR A 23 -30.808 -6.827 -12.146 1.00 54.44 C ATOM 361 CE1 TYR A 23 -28.703 -8.607 -12.262 1.00 4.11 C ATOM 362 CE2 TYR A 23 -29.531 -6.367 -12.408 1.00 73.33 C ATOM 363 CZ TYR A 23 -28.482 -7.261 -12.463 1.00 61.03 C ATOM 364 OH TYR A 23 -27.209 -6.807 -12.723 1.00 22.01 O ATOM 0 H TYR A 23 -31.642 -10.707 -10.054 1.00 71.54 H new ATOM 0 HA TYR A 23 -32.688 -7.965 -9.641 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -32.617 -9.606 -12.201 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -33.174 -7.953 -12.037 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -30.151 -10.114 -11.847 1.00 31.13 H new ATOM 0 HD2 TYR A 23 -31.627 -6.124 -12.101 1.00 54.44 H new ATOM 0 HE1 TYR A 23 -27.880 -9.305 -12.307 1.00 4.11 H new ATOM 0 HE2 TYR A 23 -29.356 -5.314 -12.569 1.00 73.33 H new ATOM 0 HH TYR A 23 -27.226 -5.834 -12.841 1.00 22.01 H new ATOM 374 N PRO A 24 -35.142 -8.638 -10.002 1.00 64.11 N ATOM 375 CA PRO A 24 -36.539 -9.052 -9.842 1.00 61.32 C ATOM 376 C PRO A 24 -37.057 -9.827 -11.049 1.00 73.43 C ATOM 377 O PRO A 24 -37.961 -10.654 -10.925 1.00 43.22 O ATOM 378 CB PRO A 24 -37.287 -7.725 -9.697 1.00 74.10 C ATOM 379 CG PRO A 24 -36.426 -6.726 -10.390 1.00 61.12 C ATOM 380 CD PRO A 24 -35.009 -7.183 -10.176 1.00 71.12 C ATOM 0 HA PRO A 24 -36.670 -9.726 -8.995 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -38.277 -7.777 -10.151 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -37.430 -7.464 -8.648 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -36.664 -6.676 -11.453 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -36.580 -5.727 -9.981 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -34.375 -6.937 -11.027 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -34.563 -6.713 -9.300 1.00 71.12 H new ATOM 388 N TRP A 25 -36.480 -9.554 -12.212 1.00 72.25 N ATOM 389 CA TRP A 25 -36.883 -10.226 -13.443 1.00 30.04 C ATOM 390 C TRP A 25 -35.747 -11.082 -13.993 1.00 53.24 C ATOM 391 O TRP A 25 -35.985 -12.106 -14.633 1.00 23.21 O ATOM 392 CB TRP A 25 -37.319 -9.200 -14.490 1.00 34.53 C ATOM 393 CG TRP A 25 -36.205 -8.763 -15.393 1.00 21.43 C ATOM 394 CD1 TRP A 25 -35.993 -9.158 -16.682 1.00 33.43 C ATOM 395 CD2 TRP A 25 -35.151 -7.849 -15.072 1.00 71.34 C ATOM 396 NE1 TRP A 25 -34.871 -8.544 -17.183 1.00 42.31 N ATOM 397 CE2 TRP A 25 -34.336 -7.736 -16.216 1.00 15.21 C ATOM 398 CE3 TRP A 25 -34.817 -7.114 -13.931 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -33.210 -6.918 -16.248 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -33.698 -6.303 -13.965 1.00 43.32 C ATOM 401 CH2 TRP A 25 -32.906 -6.210 -15.117 1.00 1.43 C ATOM 0 H TRP A 25 -35.731 -8.872 -12.330 1.00 72.25 H new ATOM 0 HA TRP A 25 -37.725 -10.878 -13.212 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -38.121 -9.626 -15.094 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -37.730 -8.327 -13.984 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -36.616 -9.851 -17.228 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -34.497 -8.670 -18.124 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -35.422 -7.179 -13.039 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -32.598 -6.845 -17.135 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -33.430 -5.731 -13.089 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -32.038 -5.567 -15.112 1.00 1.43 H new ATOM 412 N GLU A 26 -34.514 -10.656 -13.739 1.00 72.34 N ATOM 413 CA GLU A 26 -33.343 -11.385 -14.211 1.00 31.52 C ATOM 414 C GLU A 26 -32.730 -12.215 -13.087 1.00 33.20 C ATOM 415 O GLU A 26 -31.816 -11.765 -12.395 1.00 21.44 O ATOM 416 CB GLU A 26 -32.300 -10.412 -14.767 1.00 44.33 C ATOM 417 CG GLU A 26 -32.129 -10.501 -16.275 1.00 60.34 C ATOM 418 CD GLU A 26 -30.688 -10.737 -16.686 1.00 44.43 C ATOM 419 OE1 GLU A 26 -30.033 -11.609 -16.077 1.00 4.41 O1- ATOM 420 OE2 GLU A 26 -30.217 -10.050 -17.615 1.00 23.22 O ATOM 0 H GLU A 26 -34.300 -9.811 -13.210 1.00 72.34 H new ATOM 0 HA GLU A 26 -33.662 -12.059 -15.006 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -32.586 -9.394 -14.501 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -31.340 -10.608 -14.289 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -32.750 -11.310 -16.660 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -32.487 -9.579 -16.733 1.00 60.34 H new ATOM 427 N ARG A 27 -33.240 -13.430 -12.912 1.00 44.35 N ATOM 428 CA ARG A 27 -32.744 -14.323 -11.872 1.00 14.45 C ATOM 429 C ARG A 27 -31.615 -15.202 -12.402 1.00 63.40 C ATOM 430 O ARG A 27 -30.760 -15.656 -11.644 1.00 51.24 O ATOM 431 CB ARG A 27 -33.879 -15.200 -11.340 1.00 64.51 C ATOM 432 CG ARG A 27 -34.295 -16.306 -12.297 1.00 64.01 C ATOM 433 CD ARG A 27 -33.640 -17.630 -11.938 1.00 33.30 C ATOM 434 NE ARG A 27 -32.724 -18.088 -12.979 1.00 54.14 N ATOM 435 CZ ARG A 27 -33.125 -18.637 -14.120 1.00 4.33 C ATOM 436 NH1 ARG A 27 -34.417 -18.797 -14.366 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -32.231 -19.029 -15.018 1.00 42.52 N ATOM 0 H ARG A 27 -33.996 -13.818 -13.477 1.00 44.35 H new ATOM 0 HA ARG A 27 -32.354 -13.711 -11.059 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -33.569 -15.646 -10.395 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -34.743 -14.571 -11.127 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -35.379 -16.418 -12.276 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -34.023 -16.029 -13.315 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -33.097 -17.523 -10.999 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -34.411 -18.384 -11.776 1.00 33.30 H new ATOM 0 HE ARG A 27 -31.722 -17.980 -12.821 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -35.108 -18.498 -13.678 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -34.721 -19.219 -15.244 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -31.235 -18.909 -14.832 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -32.539 -19.451 -15.894 1.00 42.52 H new ATOM 451 N GLY A 28 -31.621 -15.438 -13.711 1.00 65.44 N ATOM 452 CA GLY A 28 -30.592 -16.262 -14.320 1.00 65.51 C ATOM 453 C GLY A 28 -29.410 -15.447 -14.808 1.00 63.23 C ATOM 454 O GLY A 28 -29.196 -14.321 -14.360 1.00 64.12 O ATOM 0 H GLY A 28 -32.319 -15.074 -14.360 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -30.246 -17.000 -13.596 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -31.020 -16.813 -15.157 1.00 65.51 H new ATOM 458 N LYS A 29 -28.639 -16.018 -15.727 1.00 32.43 N ATOM 459 CA LYS A 29 -27.472 -15.339 -16.277 1.00 50.03 C ATOM 460 C LYS A 29 -27.754 -14.827 -17.685 1.00 32.31 C ATOM 461 O LYS A 29 -27.213 -13.804 -18.104 1.00 52.13 O ATOM 462 CB LYS A 29 -26.269 -16.284 -16.297 1.00 52.24 C ATOM 463 CG LYS A 29 -26.473 -17.510 -17.171 1.00 1.10 C ATOM 464 CD LYS A 29 -25.204 -18.339 -17.273 1.00 42.12 C ATOM 465 CE LYS A 29 -25.392 -19.724 -16.675 1.00 31.11 C ATOM 466 NZ LYS A 29 -24.149 -20.219 -16.020 1.00 23.05 N1+ ATOM 0 H LYS A 29 -28.802 -16.951 -16.107 1.00 32.43 H new ATOM 0 HA LYS A 29 -27.245 -14.485 -15.638 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -25.394 -15.738 -16.650 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -26.054 -16.606 -15.278 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -27.276 -18.122 -16.760 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -26.787 -17.199 -18.168 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -24.911 -18.430 -18.319 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -24.391 -17.827 -16.758 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -26.201 -19.698 -15.945 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -25.692 -20.420 -17.458 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -24.318 -21.166 -15.625 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -23.383 -20.268 -16.722 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -23.877 -19.569 -15.256 1.00 23.05 H new ATOM 480 N ALA A 30 -28.604 -15.546 -18.413 1.00 52.51 N ATOM 481 CA ALA A 30 -28.959 -15.162 -19.773 1.00 34.32 C ATOM 482 C ALA A 30 -30.157 -15.961 -20.274 1.00 4.04 C ATOM 483 O ALA A 30 -29.999 -16.996 -20.921 1.00 72.01 O ATOM 484 CB ALA A 30 -27.770 -15.353 -20.703 1.00 45.32 C ATOM 0 H ALA A 30 -29.059 -16.397 -18.083 1.00 52.51 H new ATOM 0 HA ALA A 30 -29.235 -14.108 -19.766 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -28.050 -15.062 -21.716 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -26.940 -14.734 -20.364 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -27.468 -16.400 -20.697 1.00 45.32 H new TER 490 ALA A 30