USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=9 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 152:sc= -0.198 (180deg=-0.758) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0996) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 65:sc= 0.835 USER MOD Single : A 16 HIS : no HD1:sc= -0.111 X(o=-0.11,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+ 170:sc= 0.269 (180deg=0.233) USER MOD Single : A 20 THR OG1 : rot -43:sc= 0.752 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -0.0805 (180deg=-0.553) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.141 -0.132 0.055 1.00 45.13 N ATOM 2 CA MET A 1 1.977 0.228 -1.086 1.00 22.32 C ATOM 3 C MET A 1 1.132 0.802 -2.218 1.00 60.01 C ATOM 4 O MET A 1 1.525 1.768 -2.872 1.00 15.42 O ATOM 5 CB MET A 1 2.753 -0.992 -1.581 1.00 71.13 C ATOM 6 CG MET A 1 4.261 -0.801 -1.563 1.00 13.53 C ATOM 7 SD MET A 1 5.094 -1.722 -2.870 1.00 44.03 S ATOM 8 CE MET A 1 4.481 -0.874 -4.325 1.00 62.12 C ATOM 0 H1 MET A 1 1.745 -0.359 0.870 1.00 45.13 H new ATOM 0 H2 MET A 1 0.520 0.667 0.296 1.00 45.13 H new ATOM 0 H3 MET A 1 0.561 -0.960 -0.187 1.00 45.13 H new ATOM 0 HA MET A 1 2.684 0.991 -0.761 1.00 22.32 H new ATOM 0 HB2 MET A 1 2.496 -1.851 -0.962 1.00 71.13 H new ATOM 0 HB3 MET A 1 2.437 -1.226 -2.598 1.00 71.13 H new ATOM 0 HG2 MET A 1 4.490 0.259 -1.668 1.00 13.53 H new ATOM 0 HG3 MET A 1 4.652 -1.117 -0.596 1.00 13.53 H new ATOM 0 HE1 MET A 1 5.215 -0.950 -5.127 1.00 62.12 H new ATOM 0 HE2 MET A 1 3.545 -1.331 -4.645 1.00 62.12 H new ATOM 0 HE3 MET A 1 4.309 0.176 -4.089 1.00 62.12 H new ATOM 18 N LYS A 2 -0.032 0.202 -2.445 1.00 43.02 N ATOM 19 CA LYS A 2 -0.934 0.653 -3.499 1.00 24.01 C ATOM 20 C LYS A 2 -2.386 0.572 -3.042 1.00 21.24 C ATOM 21 O LYS A 2 -2.967 -0.512 -2.969 1.00 41.40 O ATOM 22 CB LYS A 2 -0.737 -0.190 -4.762 1.00 42.41 C ATOM 23 CG LYS A 2 0.470 0.222 -5.586 1.00 13.34 C ATOM 24 CD LYS A 2 0.097 0.469 -7.038 1.00 42.34 C ATOM 25 CE LYS A 2 1.219 0.060 -7.980 1.00 74.33 C ATOM 26 NZ LYS A 2 2.219 1.149 -8.156 1.00 51.53 N1+ ATOM 0 H LYS A 2 -0.373 -0.598 -1.913 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.700 1.693 -3.724 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.632 -1.237 -4.477 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.631 -0.116 -5.381 1.00 42.41 H new ATOM 0 HG2 LYS A 2 0.909 1.126 -5.163 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.231 -0.557 -5.532 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.806 -0.090 -7.283 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.133 1.525 -7.181 1.00 42.34 H new ATOM 0 HE2 LYS A 2 1.715 -0.829 -7.590 1.00 74.33 H new ATOM 0 HE3 LYS A 2 0.800 -0.208 -8.950 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 2.967 0.832 -8.805 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 1.751 1.989 -8.552 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 2.638 1.388 -7.235 1.00 51.53 H new ATOM 40 N THR A 3 -2.970 1.727 -2.737 1.00 15.52 N ATOM 41 CA THR A 3 -4.356 1.787 -2.289 1.00 53.32 C ATOM 42 C THR A 3 -5.283 1.078 -3.269 1.00 71.41 C ATOM 43 O THR A 3 -6.337 0.570 -2.884 1.00 32.43 O ATOM 44 CB THR A 3 -4.828 3.243 -2.115 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.755 4.145 -2.413 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.323 3.487 -0.698 1.00 15.42 C ATOM 0 H THR A 3 -2.505 2.633 -2.792 1.00 15.52 H new ATOM 0 HA THR A 3 -4.398 1.281 -1.324 1.00 53.32 H new ATOM 0 HB THR A 3 -5.653 3.419 -2.806 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.064 5.068 -2.302 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.651 4.522 -0.600 1.00 15.42 H new ATOM 0 HG22 THR A 3 -6.158 2.820 -0.485 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.515 3.294 0.008 1.00 15.42 H new ATOM 54 N ILE A 4 -4.884 1.048 -4.536 1.00 72.43 N ATOM 55 CA ILE A 4 -5.680 0.399 -5.571 1.00 30.21 C ATOM 56 C ILE A 4 -5.850 -1.088 -5.282 1.00 53.51 C ATOM 57 O ILE A 4 -6.821 -1.710 -5.715 1.00 24.42 O ATOM 58 CB ILE A 4 -5.042 0.570 -6.962 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.666 -0.098 -7.001 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.931 2.045 -7.316 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.615 -1.327 -7.882 1.00 71.24 C ATOM 0 H ILE A 4 -4.015 1.465 -4.871 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.657 0.882 -5.567 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.681 0.086 -7.701 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.931 0.624 -7.356 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.377 -0.375 -5.987 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.478 2.149 -8.302 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.925 2.493 -7.324 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.311 2.551 -6.576 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.610 -1.748 -7.862 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.326 -2.067 -7.515 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.873 -1.052 -8.905 1.00 71.24 H new ATOM 73 N LEU A 5 -4.901 -1.654 -4.545 1.00 20.13 N ATOM 74 CA LEU A 5 -4.947 -3.070 -4.195 1.00 54.31 C ATOM 75 C LEU A 5 -6.239 -3.409 -3.461 1.00 41.10 C ATOM 76 O LEU A 5 -6.888 -4.413 -3.757 1.00 54.45 O ATOM 77 CB LEU A 5 -3.743 -3.440 -3.326 1.00 10.23 C ATOM 78 CG LEU A 5 -2.367 -3.200 -3.948 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.280 -3.266 -2.886 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.097 -4.212 -5.053 1.00 23.34 C ATOM 0 H LEU A 5 -4.091 -1.155 -4.178 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.913 -3.647 -5.119 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.803 -2.873 -2.397 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.821 -4.495 -3.062 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.358 -2.202 -4.386 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.308 -3.093 -3.349 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.463 -2.503 -2.130 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.288 -4.250 -2.417 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.113 -4.026 -5.484 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.127 -5.220 -4.639 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.857 -4.116 -5.828 1.00 23.34 H new ATOM 92 N ARG A 6 -6.610 -2.564 -2.504 1.00 71.11 N ATOM 93 CA ARG A 6 -7.828 -2.773 -1.729 1.00 53.00 C ATOM 94 C ARG A 6 -9.040 -2.902 -2.646 1.00 15.40 C ATOM 95 O ARG A 6 -10.001 -3.604 -2.327 1.00 4.20 O ATOM 96 CB ARG A 6 -8.038 -1.618 -0.748 1.00 71.24 C ATOM 97 CG ARG A 6 -7.225 -1.750 0.530 1.00 71.42 C ATOM 98 CD ARG A 6 -7.370 -0.519 1.411 1.00 1.32 C ATOM 99 NE ARG A 6 -8.129 -0.803 2.627 1.00 13.11 N ATOM 100 CZ ARG A 6 -8.312 0.081 3.601 1.00 74.41 C ATOM 101 NH1 ARG A 6 -7.795 1.299 3.504 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -9.014 -0.252 4.677 1.00 75.54 N ATOM 0 H ARG A 6 -6.085 -1.728 -2.247 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.717 -3.701 -1.169 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.776 -0.682 -1.241 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.096 -1.558 -0.491 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.550 -2.633 1.080 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.174 -1.899 0.281 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -6.381 -0.147 1.679 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -7.867 0.272 0.850 1.00 1.32 H new ATOM 0 HE ARG A 6 -8.540 -1.730 2.733 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -7.255 1.559 2.679 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -7.938 1.975 4.254 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -9.413 -1.187 4.756 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -9.154 0.427 5.425 1.00 75.54 H new ATOM 116 N PHE A 7 -8.989 -2.221 -3.786 1.00 62.32 N ATOM 117 CA PHE A 7 -10.084 -2.259 -4.749 1.00 71.51 C ATOM 118 C PHE A 7 -10.111 -3.592 -5.490 1.00 5.41 C ATOM 119 O PHE A 7 -11.092 -4.333 -5.425 1.00 43.40 O ATOM 120 CB PHE A 7 -9.952 -1.108 -5.748 1.00 55.54 C ATOM 121 CG PHE A 7 -10.067 0.250 -5.117 1.00 32.55 C ATOM 122 CD1 PHE A 7 -9.001 0.798 -4.423 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.240 0.979 -5.221 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.103 2.047 -3.840 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.349 2.229 -4.641 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.278 2.764 -3.951 1.00 22.42 C ATOM 0 H PHE A 7 -8.201 -1.636 -4.066 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.020 -2.150 -4.202 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.989 -1.185 -6.253 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.722 -1.211 -6.512 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.079 0.243 -4.336 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.079 0.566 -5.761 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.265 2.461 -3.299 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.270 2.787 -4.727 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.360 3.742 -3.499 1.00 22.42 H new ATOM 136 N VAL A 8 -9.025 -3.891 -6.198 1.00 53.12 N ATOM 137 CA VAL A 8 -8.922 -5.134 -6.952 1.00 31.45 C ATOM 138 C VAL A 8 -9.104 -6.344 -6.044 1.00 55.51 C ATOM 139 O VAL A 8 -9.585 -7.391 -6.476 1.00 51.14 O ATOM 140 CB VAL A 8 -7.564 -5.243 -7.670 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.440 -5.428 -6.662 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.583 -6.387 -8.673 1.00 55.23 C ATOM 0 H VAL A 8 -8.205 -3.289 -6.264 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.718 -5.120 -7.697 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.384 -4.315 -8.213 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.488 -5.503 -7.188 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.414 -4.574 -5.985 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.611 -6.340 -6.090 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.616 -6.450 -9.171 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.785 -7.323 -8.153 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.362 -6.208 -9.414 1.00 55.23 H new ATOM 152 N ALA A 9 -8.716 -6.194 -4.782 1.00 65.43 N ATOM 153 CA ALA A 9 -8.837 -7.275 -3.811 1.00 41.13 C ATOM 154 C ALA A 9 -10.280 -7.759 -3.708 1.00 25.11 C ATOM 155 O ALA A 9 -10.536 -8.897 -3.316 1.00 71.55 O ATOM 156 CB ALA A 9 -8.333 -6.821 -2.450 1.00 42.33 C ATOM 0 H ALA A 9 -8.315 -5.334 -4.408 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.224 -8.109 -4.153 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.429 -7.638 -1.735 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.286 -6.529 -2.529 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.922 -5.970 -2.109 1.00 42.33 H new ATOM 162 N GLY A 10 -11.220 -6.888 -4.062 1.00 61.41 N ATOM 163 CA GLY A 10 -12.625 -7.245 -4.001 1.00 25.11 C ATOM 164 C GLY A 10 -13.100 -7.943 -5.261 1.00 3.31 C ATOM 165 O GLY A 10 -13.939 -8.842 -5.202 1.00 52.42 O ATOM 0 H GLY A 10 -11.033 -5.941 -4.390 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.795 -7.895 -3.143 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.219 -6.345 -3.842 1.00 25.11 H new ATOM 169 N TYR A 11 -12.565 -7.526 -6.403 1.00 42.22 N ATOM 170 CA TYR A 11 -12.943 -8.114 -7.683 1.00 72.35 C ATOM 171 C TYR A 11 -12.770 -9.630 -7.659 1.00 14.31 C ATOM 172 O TYR A 11 -13.661 -10.374 -8.069 1.00 43.11 O ATOM 173 CB TYR A 11 -12.106 -7.512 -8.812 1.00 61.03 C ATOM 174 CG TYR A 11 -12.320 -8.183 -10.149 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.597 -8.510 -10.589 1.00 43.03 C ATOM 176 CD2 TYR A 11 -11.245 -8.492 -10.973 1.00 33.13 C ATOM 177 CE1 TYR A 11 -13.796 -9.124 -11.810 1.00 4.31 C ATOM 178 CE2 TYR A 11 -11.435 -9.106 -12.196 1.00 14.35 C ATOM 179 CZ TYR A 11 -12.712 -9.420 -12.610 1.00 64.34 C ATOM 180 OH TYR A 11 -12.906 -10.033 -13.827 1.00 61.13 O ATOM 0 H TYR A 11 -11.869 -6.784 -6.469 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.995 -7.889 -7.860 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.345 -6.452 -8.905 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -11.051 -7.579 -8.546 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.448 -8.280 -9.965 1.00 43.03 H new ATOM 0 HD2 TYR A 11 -10.243 -8.248 -10.652 1.00 33.13 H new ATOM 0 HE1 TYR A 11 -14.795 -9.371 -12.137 1.00 4.31 H new ATOM 0 HE2 TYR A 11 -10.588 -9.339 -12.824 1.00 14.35 H new ATOM 0 HH TYR A 11 -12.041 -10.170 -14.266 1.00 61.13 H new ATOM 190 N ASP A 12 -11.617 -10.079 -7.175 1.00 65.02 N ATOM 191 CA ASP A 12 -11.325 -11.505 -7.095 1.00 75.54 C ATOM 192 C ASP A 12 -12.384 -12.231 -6.270 1.00 41.32 C ATOM 193 O ASP A 12 -12.643 -13.416 -6.481 1.00 63.40 O ATOM 194 CB ASP A 12 -9.941 -11.731 -6.485 1.00 50.20 C ATOM 195 CG ASP A 12 -9.293 -13.009 -6.978 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.688 -14.095 -6.506 1.00 71.04 O1- ATOM 197 OD2 ASP A 12 -8.388 -12.923 -7.836 1.00 0.04 O ATOM 0 H ASP A 12 -10.869 -9.476 -6.832 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.337 -11.911 -8.107 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.298 -10.885 -6.726 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -10.027 -11.766 -5.399 1.00 50.20 H new ATOM 202 N ILE A 13 -12.989 -11.512 -5.330 1.00 22.04 N ATOM 203 CA ILE A 13 -14.018 -12.088 -4.473 1.00 12.43 C ATOM 204 C ILE A 13 -15.385 -12.037 -5.145 1.00 51.45 C ATOM 205 O ILE A 13 -16.193 -12.955 -5.005 1.00 22.14 O ATOM 206 CB ILE A 13 -14.096 -11.358 -3.119 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.703 -11.231 -2.502 1.00 34.34 C ATOM 208 CG2 ILE A 13 -15.036 -12.093 -2.175 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.029 -12.562 -2.252 1.00 32.12 C ATOM 0 H ILE A 13 -12.784 -10.530 -5.143 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.740 -13.128 -4.301 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.491 -10.356 -3.285 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.075 -10.633 -3.163 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.780 -10.689 -1.559 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.081 -11.565 -1.222 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -16.033 -12.135 -2.614 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.669 -13.106 -2.012 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.045 -12.395 -1.814 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.636 -13.154 -1.567 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.920 -13.097 -3.195 1.00 32.12 H new ATOM 221 N ALA A 14 -15.637 -10.957 -5.880 1.00 52.22 N ATOM 222 CA ALA A 14 -16.905 -10.788 -6.578 1.00 55.53 C ATOM 223 C ALA A 14 -16.995 -11.716 -7.785 1.00 42.14 C ATOM 224 O ALA A 14 -18.088 -12.079 -8.220 1.00 70.44 O ATOM 225 CB ALA A 14 -17.081 -9.339 -7.008 1.00 43.50 C ATOM 0 H ALA A 14 -14.980 -10.187 -6.007 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.709 -11.051 -5.890 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -18.032 -9.227 -7.528 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -17.070 -8.695 -6.129 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.267 -9.056 -7.675 1.00 43.50 H new ATOM 231 N SER A 15 -15.840 -12.094 -8.322 1.00 12.33 N ATOM 232 CA SER A 15 -15.788 -12.976 -9.483 1.00 20.03 C ATOM 233 C SER A 15 -16.532 -14.279 -9.208 1.00 21.21 C ATOM 234 O SER A 15 -17.068 -14.907 -10.122 1.00 23.43 O ATOM 235 CB SER A 15 -14.336 -13.273 -9.860 1.00 21.01 C ATOM 236 OG SER A 15 -13.687 -12.111 -10.346 1.00 30.13 O ATOM 0 H SER A 15 -14.927 -11.804 -7.972 1.00 12.33 H new ATOM 0 HA SER A 15 -16.275 -12.469 -10.316 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.802 -13.654 -8.990 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.307 -14.054 -10.620 1.00 21.01 H new ATOM 0 HG SER A 15 -13.629 -11.445 -9.630 1.00 30.13 H new ATOM 242 N HIS A 16 -16.560 -14.681 -7.941 1.00 53.24 N ATOM 243 CA HIS A 16 -17.238 -15.910 -7.544 1.00 35.24 C ATOM 244 C HIS A 16 -18.595 -15.603 -6.915 1.00 4.32 C ATOM 245 O HIS A 16 -19.544 -16.375 -7.053 1.00 21.51 O ATOM 246 CB HIS A 16 -16.374 -16.699 -6.561 1.00 4.42 C ATOM 247 CG HIS A 16 -15.084 -17.180 -7.149 1.00 62.13 C ATOM 248 ND1 HIS A 16 -14.157 -17.911 -6.436 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.570 -17.033 -8.393 1.00 31.25 C ATOM 250 CE1 HIS A 16 -13.127 -18.191 -7.215 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.353 -17.670 -8.408 1.00 3.45 N ATOM 0 H HIS A 16 -16.121 -14.174 -7.172 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.400 -16.512 -8.438 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -16.158 -16.072 -5.696 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -16.941 -17.557 -6.199 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -15.031 -16.512 -9.219 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -12.250 -18.751 -6.926 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.726 -17.731 -9.210 1.00 3.45 H new ATOM 259 N LYS A 17 -18.678 -14.472 -6.224 1.00 61.21 N ATOM 260 CA LYS A 17 -19.917 -14.062 -5.572 1.00 22.12 C ATOM 261 C LYS A 17 -20.898 -13.482 -6.586 1.00 0.25 C ATOM 262 O LYS A 17 -21.899 -14.111 -6.929 1.00 10.32 O ATOM 263 CB LYS A 17 -19.627 -13.030 -4.480 1.00 44.13 C ATOM 264 CG LYS A 17 -18.851 -13.594 -3.302 1.00 25.14 C ATOM 265 CD LYS A 17 -19.751 -13.828 -2.101 1.00 21.12 C ATOM 266 CE LYS A 17 -19.651 -12.687 -1.099 1.00 41.30 C ATOM 267 NZ LYS A 17 -20.895 -12.548 -0.291 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.902 -13.822 -6.100 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.368 -14.944 -5.118 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -19.064 -12.203 -4.913 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -20.570 -12.619 -4.120 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -18.379 -14.533 -3.592 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -18.051 -12.906 -3.029 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -20.784 -13.932 -2.434 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -19.476 -14.765 -1.616 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -18.804 -12.860 -0.435 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -19.456 -11.755 -1.629 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -20.787 -11.760 0.380 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -21.699 -12.358 -0.922 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -21.068 -13.429 0.234 1.00 5.43 H new ATOM 281 N LYS A 18 -20.603 -12.278 -7.066 1.00 52.14 N ATOM 282 CA LYS A 18 -21.457 -11.613 -8.044 1.00 54.44 C ATOM 283 C LYS A 18 -20.776 -10.367 -8.602 1.00 32.34 C ATOM 284 O LYS A 18 -20.227 -9.558 -7.853 1.00 34.21 O ATOM 285 CB LYS A 18 -22.796 -11.234 -7.407 1.00 42.22 C ATOM 286 CG LYS A 18 -23.977 -11.365 -8.353 1.00 44.35 C ATOM 287 CD LYS A 18 -24.739 -12.657 -8.118 1.00 64.32 C ATOM 288 CE LYS A 18 -24.936 -13.432 -9.413 1.00 31.44 C ATOM 289 NZ LYS A 18 -26.250 -13.126 -10.046 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.779 -11.743 -6.793 1.00 52.14 H new ATOM 0 HA LYS A 18 -21.636 -12.307 -8.866 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -22.967 -11.867 -6.536 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -22.740 -10.206 -7.048 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -24.648 -10.516 -8.219 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -23.624 -11.332 -9.384 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -24.197 -13.275 -7.402 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -25.710 -12.433 -7.676 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -24.132 -13.189 -10.108 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -24.870 -14.501 -9.211 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -26.347 -13.673 -10.925 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -27.018 -13.381 -9.393 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -26.303 -12.110 -10.262 1.00 32.22 H new ATOM 303 N LYS A 19 -20.817 -10.217 -9.921 1.00 12.44 N ATOM 304 CA LYS A 19 -20.207 -9.069 -10.580 1.00 30.35 C ATOM 305 C LYS A 19 -21.042 -8.621 -11.776 1.00 22.33 C ATOM 306 O LYS A 19 -21.210 -9.365 -12.743 1.00 13.24 O ATOM 307 CB LYS A 19 -18.787 -9.411 -11.036 1.00 52.34 C ATOM 308 CG LYS A 19 -18.087 -8.271 -11.756 1.00 43.25 C ATOM 309 CD LYS A 19 -17.895 -7.070 -10.845 1.00 35.41 C ATOM 310 CE LYS A 19 -17.125 -5.959 -11.541 1.00 22.10 C ATOM 311 NZ LYS A 19 -15.756 -5.797 -10.979 1.00 2.42 N1+ ATOM 0 H LYS A 19 -21.267 -10.877 -10.555 1.00 12.44 H new ATOM 0 HA LYS A 19 -20.164 -8.250 -9.862 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -18.195 -9.699 -10.167 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -18.825 -10.277 -11.696 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -17.118 -8.611 -12.121 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -18.671 -7.977 -12.628 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -18.867 -6.695 -10.526 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -17.361 -7.376 -9.946 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -17.057 -6.177 -12.607 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -17.672 -5.021 -11.442 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -15.206 -5.154 -11.584 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -15.819 -5.401 -10.019 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -15.285 -6.723 -10.941 1.00 2.42 H new ATOM 325 N THR A 20 -21.563 -7.400 -11.704 1.00 74.11 N ATOM 326 CA THR A 20 -22.379 -6.853 -12.780 1.00 2.32 C ATOM 327 C THR A 20 -21.695 -5.661 -13.438 1.00 43.42 C ATOM 328 O THR A 20 -22.342 -4.847 -14.096 1.00 50.52 O ATOM 329 CB THR A 20 -23.765 -6.416 -12.267 1.00 75.53 C ATOM 330 OG1 THR A 20 -24.618 -6.098 -13.372 1.00 14.51 O ATOM 331 CG2 THR A 20 -23.647 -5.210 -11.348 1.00 11.21 C ATOM 0 H THR A 20 -21.434 -6.771 -10.911 1.00 74.11 H new ATOM 0 HA THR A 20 -22.505 -7.647 -13.516 1.00 2.32 H new ATOM 0 HB THR A 20 -24.196 -7.242 -11.702 1.00 75.53 H new ATOM 0 HG1 THR A 20 -24.117 -5.574 -14.032 1.00 14.51 H new ATOM 0 HG21 THR A 20 -24.638 -4.920 -10.999 1.00 11.21 H new ATOM 0 HG22 THR A 20 -23.021 -5.464 -10.493 1.00 11.21 H new ATOM 0 HG23 THR A 20 -23.197 -4.380 -11.893 1.00 11.21 H new ATOM 339 N GLY A 21 -20.381 -5.564 -13.257 1.00 32.30 N ATOM 340 CA GLY A 21 -19.630 -4.468 -13.841 1.00 50.33 C ATOM 341 C GLY A 21 -19.794 -3.175 -13.066 1.00 2.24 C ATOM 342 O GLY A 21 -18.947 -2.822 -12.248 1.00 35.14 O ATOM 0 H GLY A 21 -19.823 -6.225 -12.716 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -18.574 -4.734 -13.878 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -19.956 -4.315 -14.870 1.00 50.33 H new ATOM 346 N GLY A 22 -20.889 -2.466 -13.325 1.00 31.51 N ATOM 347 CA GLY A 22 -21.140 -1.213 -12.639 1.00 45.51 C ATOM 348 C GLY A 22 -20.717 -0.008 -13.457 1.00 10.31 C ATOM 349 O GLY A 22 -20.388 1.041 -12.904 1.00 73.31 O ATOM 0 H GLY A 22 -21.606 -2.738 -13.998 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -22.202 -1.136 -12.407 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -20.605 -1.209 -11.689 1.00 45.51 H new ATOM 353 N TYR A 23 -20.722 -0.161 -14.776 1.00 71.54 N ATOM 354 CA TYR A 23 -20.332 0.922 -15.671 1.00 55.03 C ATOM 355 C TYR A 23 -21.538 1.772 -16.057 1.00 51.04 C ATOM 356 O TYR A 23 -22.684 1.326 -16.015 1.00 40.24 O ATOM 357 CB TYR A 23 -19.669 0.357 -16.929 1.00 51.42 C ATOM 358 CG TYR A 23 -18.512 -0.572 -16.639 1.00 14.11 C ATOM 359 CD1 TYR A 23 -18.732 -1.900 -16.294 1.00 31.13 C ATOM 360 CD2 TYR A 23 -17.199 -0.122 -16.711 1.00 54.44 C ATOM 361 CE1 TYR A 23 -17.677 -2.752 -16.027 1.00 4.11 C ATOM 362 CE2 TYR A 23 -16.138 -0.967 -16.447 1.00 73.33 C ATOM 363 CZ TYR A 23 -16.383 -2.281 -16.105 1.00 61.03 C ATOM 364 OH TYR A 23 -15.330 -3.127 -15.842 1.00 22.01 O ATOM 0 H TYR A 23 -20.991 -1.024 -15.249 1.00 71.54 H new ATOM 0 HA TYR A 23 -19.618 1.555 -15.144 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -20.416 -0.179 -17.514 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -19.315 1.183 -17.545 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -19.744 -2.272 -16.234 1.00 31.13 H new ATOM 0 HD2 TYR A 23 -17.005 0.906 -16.978 1.00 54.44 H new ATOM 0 HE1 TYR A 23 -17.865 -3.781 -15.759 1.00 4.11 H new ATOM 0 HE2 TYR A 23 -15.124 -0.601 -16.508 1.00 73.33 H new ATOM 0 HH TYR A 23 -14.486 -2.639 -15.942 1.00 22.01 H new ATOM 374 N PRO A 24 -21.275 3.030 -16.443 1.00 64.11 N ATOM 375 CA PRO A 24 -22.324 3.971 -16.845 1.00 61.32 C ATOM 376 C PRO A 24 -22.964 3.591 -18.177 1.00 73.43 C ATOM 377 O PRO A 24 -24.124 3.913 -18.433 1.00 43.22 O ATOM 378 CB PRO A 24 -21.579 5.302 -16.970 1.00 74.10 C ATOM 379 CG PRO A 24 -20.167 4.920 -17.253 1.00 61.12 C ATOM 380 CD PRO A 24 -19.931 3.630 -16.518 1.00 71.12 C ATOM 0 HA PRO A 24 -23.147 3.994 -16.130 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -21.992 5.913 -17.772 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -21.655 5.886 -16.053 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -20.004 4.795 -18.323 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -19.478 5.694 -16.914 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -19.232 2.985 -17.051 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -19.512 3.803 -15.527 1.00 71.12 H new ATOM 388 N TRP A 25 -22.200 2.906 -19.020 1.00 72.25 N ATOM 389 CA TRP A 25 -22.694 2.482 -20.326 1.00 30.04 C ATOM 390 C TRP A 25 -22.765 0.963 -20.414 1.00 53.24 C ATOM 391 O TRP A 25 -23.614 0.412 -21.115 1.00 23.21 O ATOM 392 CB TRP A 25 -21.794 3.029 -21.435 1.00 34.53 C ATOM 393 CG TRP A 25 -20.687 2.093 -21.817 1.00 21.43 C ATOM 394 CD1 TRP A 25 -20.631 1.300 -22.927 1.00 33.43 C ATOM 395 CD2 TRP A 25 -19.478 1.852 -21.088 1.00 71.34 C ATOM 396 NE1 TRP A 25 -19.460 0.580 -22.932 1.00 42.31 N ATOM 397 CE2 TRP A 25 -18.736 0.902 -21.815 1.00 15.21 C ATOM 398 CE3 TRP A 25 -18.951 2.349 -19.893 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -17.495 0.439 -21.384 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -17.720 1.889 -19.466 1.00 43.32 C ATOM 401 CH2 TRP A 25 -17.003 0.941 -20.211 1.00 1.43 C ATOM 0 H TRP A 25 -21.237 2.632 -18.824 1.00 72.25 H new ATOM 0 HA TRP A 25 -23.700 2.881 -20.454 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -22.401 3.240 -22.315 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -21.363 3.976 -21.110 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -21.394 1.246 -23.689 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -19.176 -0.086 -23.651 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -19.496 3.079 -19.314 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -16.941 -0.291 -21.956 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -17.303 2.265 -18.544 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -16.043 0.601 -19.851 1.00 1.43 H new ATOM 412 N GLU A 26 -21.868 0.289 -19.699 1.00 72.34 N ATOM 413 CA GLU A 26 -21.832 -1.168 -19.698 1.00 31.52 C ATOM 414 C GLU A 26 -22.557 -1.730 -18.479 1.00 33.20 C ATOM 415 O GLU A 26 -22.290 -2.853 -18.048 1.00 21.44 O ATOM 416 CB GLU A 26 -20.384 -1.663 -19.717 1.00 44.33 C ATOM 417 CG GLU A 26 -20.005 -2.391 -20.996 1.00 60.34 C ATOM 418 CD GLU A 26 -19.436 -3.772 -20.734 1.00 44.43 C ATOM 419 OE1 GLU A 26 -18.464 -3.875 -19.958 1.00 23.22 O ATOM 420 OE2 GLU A 26 -19.962 -4.750 -21.307 1.00 4.41 O1- ATOM 0 H GLU A 26 -21.158 0.729 -19.114 1.00 72.34 H new ATOM 0 HA GLU A 26 -22.341 -1.519 -20.595 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -19.716 -0.812 -19.582 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -20.226 -2.330 -18.869 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -20.885 -2.479 -21.634 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -19.272 -1.798 -21.544 1.00 60.34 H new ATOM 427 N ARG A 27 -23.474 -0.942 -17.929 1.00 44.35 N ATOM 428 CA ARG A 27 -24.237 -1.360 -16.759 1.00 14.45 C ATOM 429 C ARG A 27 -24.870 -2.730 -16.984 1.00 63.40 C ATOM 430 O ARG A 27 -24.408 -3.735 -16.445 1.00 51.24 O ATOM 431 CB ARG A 27 -25.323 -0.331 -16.437 1.00 64.51 C ATOM 432 CG ARG A 27 -26.318 -0.803 -15.389 1.00 64.01 C ATOM 433 CD ARG A 27 -25.617 -1.218 -14.105 1.00 33.30 C ATOM 434 NE ARG A 27 -26.568 -1.536 -13.042 1.00 54.14 N ATOM 435 CZ ARG A 27 -26.252 -1.541 -11.751 1.00 4.33 C ATOM 436 NH1 ARG A 27 -25.018 -1.247 -11.367 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -27.172 -1.840 -10.843 1.00 42.52 N ATOM 0 H ARG A 27 -23.707 -0.011 -18.274 1.00 44.35 H new ATOM 0 HA ARG A 27 -23.551 -1.430 -15.915 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -24.850 0.587 -16.089 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -25.861 -0.085 -17.352 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -27.029 -0.005 -15.175 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -26.890 -1.644 -15.781 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -24.987 -2.086 -14.300 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -24.959 -0.414 -13.775 1.00 33.30 H new ATOM 0 HE ARG A 27 -27.526 -1.767 -13.305 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -24.309 -1.016 -12.063 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -24.778 -1.251 -10.376 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -28.123 -2.066 -11.135 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -26.929 -1.844 -9.852 1.00 42.52 H new ATOM 451 N GLY A 28 -25.933 -2.762 -17.783 1.00 65.44 N ATOM 452 CA GLY A 28 -26.612 -4.013 -18.064 1.00 65.51 C ATOM 453 C GLY A 28 -27.548 -3.911 -19.252 1.00 63.23 C ATOM 454 O GLY A 28 -28.576 -3.238 -19.188 1.00 64.12 O ATOM 0 H GLY A 28 -26.335 -1.944 -18.240 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -25.871 -4.790 -18.255 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -27.178 -4.321 -17.185 1.00 65.51 H new ATOM 458 N LYS A 29 -27.190 -4.579 -20.343 1.00 32.43 N ATOM 459 CA LYS A 29 -28.003 -4.562 -21.553 1.00 50.03 C ATOM 460 C LYS A 29 -28.958 -5.750 -21.585 1.00 32.31 C ATOM 461 O LYS A 29 -30.025 -5.685 -22.194 1.00 52.13 O ATOM 462 CB LYS A 29 -27.107 -4.581 -22.795 1.00 52.24 C ATOM 463 CG LYS A 29 -26.330 -5.874 -22.964 1.00 1.10 C ATOM 464 CD LYS A 29 -25.357 -5.792 -24.129 1.00 42.12 C ATOM 465 CE LYS A 29 -24.198 -6.762 -23.957 1.00 31.11 C ATOM 466 NZ LYS A 29 -23.349 -6.409 -22.785 1.00 23.05 N1+ ATOM 0 H LYS A 29 -26.341 -5.140 -20.414 1.00 32.43 H new ATOM 0 HA LYS A 29 -28.592 -3.645 -21.551 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -27.723 -4.419 -23.680 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -26.405 -3.749 -22.739 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -25.783 -6.093 -22.047 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -27.024 -6.698 -23.126 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -25.882 -6.012 -25.059 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -24.973 -4.775 -24.212 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -24.586 -7.773 -23.833 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -23.588 -6.763 -24.860 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -22.384 -6.768 -22.934 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -23.321 -5.375 -22.676 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -23.748 -6.837 -21.925 1.00 23.05 H new ATOM 480 N ALA A 30 -28.568 -6.835 -20.924 1.00 52.51 N ATOM 481 CA ALA A 30 -29.392 -8.036 -20.873 1.00 34.32 C ATOM 482 C ALA A 30 -30.606 -7.832 -19.973 1.00 4.04 C ATOM 483 O ALA A 30 -30.610 -6.952 -19.112 1.00 72.01 O ATOM 484 CB ALA A 30 -28.567 -9.221 -20.391 1.00 45.32 C ATOM 0 H ALA A 30 -27.686 -6.907 -20.416 1.00 52.51 H new ATOM 0 HA ALA A 30 -29.752 -8.243 -21.881 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -29.195 -10.112 -20.357 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -27.736 -9.388 -21.076 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -28.179 -9.013 -19.394 1.00 45.32 H new TER 490 ALA A 30