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 Set 1.1: A 20 THR OG1 : rot 108:sc= 0.176 USER MOD Set 1.2: A 23 TYR OH : rot 165:sc= 0.117 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0467) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 69:sc= 0.0316 USER MOD Single : A 16 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0444) 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.966 -0.270 0.273 1.00 45.13 N ATOM 2 CA MET A 1 1.793 0.280 -0.794 1.00 22.32 C ATOM 3 C MET A 1 0.928 0.895 -1.891 1.00 60.01 C ATOM 4 O MET A 1 1.112 2.053 -2.264 1.00 15.42 O ATOM 5 CB MET A 1 2.688 -0.810 -1.387 1.00 71.13 C ATOM 6 CG MET A 1 3.983 -1.017 -0.617 1.00 13.53 C ATOM 7 SD MET A 1 4.203 -2.722 -0.074 1.00 44.03 S ATOM 8 CE MET A 1 4.544 -3.534 -1.635 1.00 62.12 C ATOM 0 H1 MET A 1 1.576 -0.683 1.007 1.00 45.13 H new ATOM 0 H2 MET A 1 0.387 0.487 0.689 1.00 45.13 H new ATOM 0 H3 MET A 1 0.344 -1.008 -0.115 1.00 45.13 H new ATOM 0 HA MET A 1 2.419 1.063 -0.367 1.00 22.32 H new ATOM 0 HB2 MET A 1 2.135 -1.749 -1.412 1.00 71.13 H new ATOM 0 HB3 MET A 1 2.925 -0.552 -2.419 1.00 71.13 H new ATOM 0 HG2 MET A 1 4.825 -0.729 -1.246 1.00 13.53 H new ATOM 0 HG3 MET A 1 3.994 -0.359 0.252 1.00 13.53 H new ATOM 0 HE1 MET A 1 4.703 -4.599 -1.464 1.00 62.12 H new ATOM 0 HE2 MET A 1 3.698 -3.397 -2.309 1.00 62.12 H new ATOM 0 HE3 MET A 1 5.438 -3.101 -2.083 1.00 62.12 H new ATOM 18 N LYS A 2 -0.015 0.112 -2.403 1.00 43.02 N ATOM 19 CA LYS A 2 -0.909 0.579 -3.455 1.00 24.01 C ATOM 20 C LYS A 2 -2.365 0.512 -3.003 1.00 21.24 C ATOM 21 O LYS A 2 -2.956 -0.566 -2.936 1.00 41.40 O ATOM 22 CB LYS A 2 -0.720 -0.257 -4.722 1.00 42.41 C ATOM 23 CG LYS A 2 0.492 0.149 -5.544 1.00 13.34 C ATOM 24 CD LYS A 2 0.085 0.845 -6.831 1.00 42.34 C ATOM 25 CE LYS A 2 0.156 -0.101 -8.021 1.00 74.33 C ATOM 26 NZ LYS A 2 1.562 -0.387 -8.420 1.00 51.53 N1+ ATOM 0 H LYS A 2 -0.180 -0.850 -2.106 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.661 1.618 -3.671 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.625 -1.307 -4.444 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.613 -0.171 -5.341 1.00 42.41 H new ATOM 0 HG2 LYS A 2 1.126 0.812 -4.956 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.086 -0.734 -5.779 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.929 1.232 -6.732 1.00 42.34 H new ATOM 0 HD3 LYS A 2 0.737 1.701 -7.005 1.00 42.34 H new ATOM 0 HE2 LYS A 2 -0.348 -1.035 -7.773 1.00 74.33 H new ATOM 0 HE3 LYS A 2 -0.379 0.336 -8.864 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 1.572 -0.832 -9.360 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 2.102 0.502 -8.451 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 1.995 -1.031 -7.728 1.00 51.53 H new ATOM 40 N THR A 3 -2.938 1.671 -2.693 1.00 15.52 N ATOM 41 CA THR A 3 -4.324 1.743 -2.247 1.00 53.32 C ATOM 42 C THR A 3 -5.255 1.049 -3.233 1.00 71.41 C ATOM 43 O THR A 3 -6.315 0.549 -2.854 1.00 32.43 O ATOM 44 CB THR A 3 -4.780 3.204 -2.067 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.707 4.095 -2.386 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.247 3.453 -0.641 1.00 15.42 C ATOM 0 H THR A 3 -2.464 2.573 -2.743 1.00 15.52 H new ATOM 0 HA THR A 3 -4.374 1.233 -1.285 1.00 53.32 H new ATOM 0 HB THR A 3 -5.615 3.387 -2.743 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.006 5.021 -2.271 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.564 4.491 -0.538 1.00 15.42 H new ATOM 0 HG22 THR A 3 -6.084 2.793 -0.412 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.428 3.253 0.050 1.00 15.42 H new ATOM 54 N ILE A 4 -4.854 1.021 -4.500 1.00 72.43 N ATOM 55 CA ILE A 4 -5.653 0.386 -5.540 1.00 30.21 C ATOM 56 C ILE A 4 -5.839 -1.102 -5.260 1.00 53.51 C ATOM 57 O ILE A 4 -6.814 -1.712 -5.701 1.00 24.42 O ATOM 58 CB ILE A 4 -5.011 0.558 -6.929 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.641 -0.123 -6.970 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.885 2.035 -7.273 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.601 -1.345 -7.859 1.00 71.24 C ATOM 0 H ILE A 4 -3.980 1.431 -4.830 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.625 0.879 -5.535 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.653 0.084 -7.672 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.898 0.594 -7.318 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.357 -0.410 -5.958 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.430 2.142 -8.258 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.874 2.493 -7.279 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.261 2.530 -6.529 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.600 -1.776 -7.840 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.320 -2.081 -7.499 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.854 -1.060 -8.880 1.00 71.24 H new ATOM 73 N LEU A 5 -4.897 -1.681 -4.523 1.00 20.13 N ATOM 74 CA LEU A 5 -4.957 -3.097 -4.181 1.00 54.31 C ATOM 75 C LEU A 5 -6.255 -3.428 -3.451 1.00 41.10 C ATOM 76 O LEU A 5 -6.913 -4.424 -3.754 1.00 54.45 O ATOM 77 CB LEU A 5 -3.759 -3.484 -3.312 1.00 10.23 C ATOM 78 CG LEU A 5 -2.380 -3.255 -3.931 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.297 -3.339 -2.866 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.119 -4.264 -5.040 1.00 23.34 C ATOM 0 H LEU A 5 -4.083 -1.191 -4.151 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.927 -3.669 -5.108 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.815 -2.922 -2.380 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.849 -4.539 -3.054 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.359 -2.255 -4.364 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.322 -3.174 -3.325 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.474 -2.578 -2.106 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.318 -4.326 -2.403 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.133 -4.086 -5.469 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.160 -5.273 -4.631 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.877 -4.156 -5.816 1.00 23.34 H new ATOM 92 N ARG A 6 -6.620 -2.584 -2.492 1.00 71.11 N ATOM 93 CA ARG A 6 -7.840 -2.786 -1.720 1.00 53.00 C ATOM 94 C ARG A 6 -9.053 -2.899 -2.641 1.00 15.40 C ATOM 95 O ARG A 6 -10.021 -3.593 -2.327 1.00 4.20 O ATOM 96 CB ARG A 6 -8.042 -1.635 -0.733 1.00 71.24 C ATOM 97 CG ARG A 6 -7.116 -1.696 0.471 1.00 71.42 C ATOM 98 CD ARG A 6 -7.824 -1.251 1.742 1.00 1.32 C ATOM 99 NE ARG A 6 -8.232 -2.384 2.567 1.00 13.11 N ATOM 100 CZ ARG A 6 -8.985 -2.267 3.655 1.00 74.41 C ATOM 101 NH1 ARG A 6 -9.409 -1.074 4.046 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -9.314 -3.346 4.354 1.00 75.54 N ATOM 0 H ARG A 6 -6.088 -1.754 -2.231 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.738 -3.718 -1.164 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.886 -0.690 -1.253 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.075 -1.642 -0.387 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -6.747 -2.714 0.596 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.247 -1.061 0.296 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -7.163 -0.603 2.317 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -8.701 -0.659 1.480 1.00 1.32 H new ATOM 0 HE ARG A 6 -7.922 -3.316 2.293 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -9.157 -0.243 3.511 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -9.987 -0.987 4.882 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -8.989 -4.266 4.056 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -9.892 -3.256 5.189 1.00 75.54 H new ATOM 116 N PHE A 7 -8.992 -2.213 -3.777 1.00 62.32 N ATOM 117 CA PHE A 7 -10.085 -2.234 -4.742 1.00 71.51 C ATOM 118 C PHE A 7 -10.124 -3.563 -5.491 1.00 5.41 C ATOM 119 O PHE A 7 -11.112 -4.295 -5.431 1.00 43.40 O ATOM 120 CB PHE A 7 -9.940 -1.080 -5.736 1.00 55.54 C ATOM 121 CG PHE A 7 -10.043 0.277 -5.098 1.00 32.55 C ATOM 122 CD1 PHE A 7 -8.973 0.810 -4.396 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.209 1.017 -5.199 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.066 2.058 -3.809 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.307 2.265 -4.614 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.234 2.787 -3.918 1.00 22.42 C ATOM 0 H PHE A 7 -8.197 -1.636 -4.052 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.021 -2.117 -4.195 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.977 -1.164 -6.240 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.710 -1.172 -6.502 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.057 0.244 -4.307 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.052 0.614 -5.741 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.225 2.463 -3.265 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.222 2.832 -4.701 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.308 3.762 -3.460 1.00 22.42 H new ATOM 136 N VAL A 8 -9.039 -3.869 -6.197 1.00 53.12 N ATOM 137 CA VAL A 8 -8.947 -5.109 -6.958 1.00 31.45 C ATOM 138 C VAL A 8 -9.142 -6.322 -6.056 1.00 55.51 C ATOM 139 O VAL A 8 -9.634 -7.362 -6.495 1.00 51.14 O ATOM 140 CB VAL A 8 -7.588 -5.228 -7.674 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.468 -5.426 -6.665 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.616 -6.367 -8.682 1.00 55.23 C ATOM 0 H VAL A 8 -8.212 -3.275 -6.257 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.741 -5.083 -7.704 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.398 -4.300 -8.213 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.516 -5.508 -7.190 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.436 -4.574 -5.985 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.648 -6.338 -6.096 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.648 -6.437 -9.179 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.828 -7.304 -8.167 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.392 -6.177 -9.424 1.00 55.23 H new ATOM 152 N ALA A 9 -8.754 -6.183 -4.793 1.00 65.43 N ATOM 153 CA ALA A 9 -8.889 -7.267 -3.828 1.00 41.13 C ATOM 154 C ALA A 9 -10.336 -7.738 -3.730 1.00 25.11 C ATOM 155 O ALA A 9 -10.604 -8.875 -3.344 1.00 71.55 O ATOM 156 CB ALA A 9 -8.382 -6.826 -2.464 1.00 42.33 C ATOM 0 H ALA A 9 -8.343 -5.330 -4.414 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.284 -8.105 -4.174 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.489 -7.646 -1.754 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.331 -6.546 -2.539 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.962 -5.970 -2.120 1.00 42.33 H new ATOM 162 N GLY A 10 -11.266 -6.855 -4.081 1.00 61.41 N ATOM 163 CA GLY A 10 -12.675 -7.198 -4.023 1.00 25.11 C ATOM 164 C GLY A 10 -13.158 -7.875 -5.291 1.00 3.31 C ATOM 165 O GLY A 10 -14.060 -8.712 -5.251 1.00 52.42 O ATOM 0 H GLY A 10 -11.069 -5.908 -4.405 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.851 -7.857 -3.173 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.259 -6.294 -3.852 1.00 25.11 H new ATOM 169 N TYR A 11 -12.560 -7.510 -6.419 1.00 42.22 N ATOM 170 CA TYR A 11 -12.937 -8.085 -7.705 1.00 72.35 C ATOM 171 C TYR A 11 -12.767 -9.600 -7.696 1.00 14.31 C ATOM 172 O TYR A 11 -13.674 -10.341 -8.075 1.00 43.11 O ATOM 173 CB TYR A 11 -12.096 -7.472 -8.827 1.00 61.03 C ATOM 174 CG TYR A 11 -12.338 -8.105 -10.179 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.627 -8.260 -10.674 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.278 -8.547 -10.961 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.853 -8.838 -11.908 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.494 -9.124 -12.197 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.784 -9.268 -12.666 1.00 64.34 C ATOM 180 OH TYR A 11 -13.004 -9.843 -13.897 1.00 61.13 O ATOM 0 H TYR A 11 -11.812 -6.818 -6.469 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.988 -7.858 -7.882 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.312 -6.405 -8.890 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -11.040 -7.569 -8.573 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.466 -7.923 -10.084 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.268 -8.437 -10.596 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.861 -8.953 -12.277 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.659 -9.460 -12.793 1.00 4.31 H new ATOM 0 HH TYR A 11 -12.146 -10.089 -14.301 1.00 61.13 H new ATOM 190 N ASP A 12 -11.598 -10.056 -7.259 1.00 65.02 N ATOM 191 CA ASP A 12 -11.307 -11.484 -7.198 1.00 75.54 C ATOM 192 C ASP A 12 -12.348 -12.214 -6.357 1.00 41.32 C ATOM 193 O ASP A 12 -12.622 -13.394 -6.577 1.00 63.40 O ATOM 194 CB ASP A 12 -9.910 -11.716 -6.620 1.00 50.20 C ATOM 195 CG ASP A 12 -9.284 -13.003 -7.121 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.253 -13.207 -8.353 1.00 71.04 O1- ATOM 197 OD2 ASP A 12 -8.824 -13.806 -6.282 1.00 0.04 O ATOM 0 H ASP A 12 -10.836 -9.457 -6.942 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.342 -11.882 -8.212 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.267 -10.876 -6.883 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -9.970 -11.744 -5.532 1.00 50.20 H new ATOM 202 N ILE A 13 -12.926 -11.505 -5.392 1.00 22.04 N ATOM 203 CA ILE A 13 -13.936 -12.087 -4.518 1.00 12.43 C ATOM 204 C ILE A 13 -15.319 -12.023 -5.158 1.00 51.45 C ATOM 205 O ILE A 13 -16.152 -12.903 -4.948 1.00 22.14 O ATOM 206 CB ILE A 13 -13.980 -11.372 -3.155 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.585 -11.333 -2.529 1.00 34.34 C ATOM 208 CG2 ILE A 13 -14.965 -12.065 -2.224 1.00 53.52 C ATOM 209 CD1 ILE A 13 -11.978 -12.702 -2.321 1.00 32.12 C ATOM 0 H ILE A 13 -12.712 -10.527 -5.197 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.657 -13.129 -4.363 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.317 -10.347 -3.311 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -11.925 -10.745 -3.167 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.641 -10.819 -1.569 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -14.985 -11.548 -1.265 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -15.961 -12.045 -2.667 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.656 -13.099 -2.072 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -10.989 -12.598 -1.874 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.616 -13.286 -1.658 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.890 -13.211 -3.281 1.00 32.12 H new ATOM 221 N ALA A 14 -15.555 -10.976 -5.942 1.00 52.22 N ATOM 222 CA ALA A 14 -16.834 -10.800 -6.616 1.00 55.53 C ATOM 223 C ALA A 14 -16.975 -11.763 -7.789 1.00 42.14 C ATOM 224 O ALA A 14 -18.085 -12.126 -8.177 1.00 70.44 O ATOM 225 CB ALA A 14 -16.987 -9.362 -7.090 1.00 43.50 C ATOM 0 H ALA A 14 -14.876 -10.237 -6.126 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.626 -11.022 -5.901 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.947 -9.245 -7.592 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.941 -8.690 -6.233 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.183 -9.120 -7.785 1.00 43.50 H new ATOM 231 N SER A 15 -15.842 -12.173 -8.351 1.00 12.33 N ATOM 232 CA SER A 15 -15.839 -13.092 -9.483 1.00 20.03 C ATOM 233 C SER A 15 -16.575 -14.383 -9.138 1.00 21.21 C ATOM 234 O SER A 15 -17.209 -14.999 -9.995 1.00 23.43 O ATOM 235 CB SER A 15 -14.403 -13.409 -9.907 1.00 21.01 C ATOM 236 OG SER A 15 -13.834 -12.328 -10.627 1.00 30.13 O ATOM 0 H SER A 15 -14.915 -11.883 -8.041 1.00 12.33 H new ATOM 0 HA SER A 15 -16.357 -12.609 -10.311 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.798 -13.621 -9.025 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.392 -14.307 -10.524 1.00 21.01 H new ATOM 0 HG SER A 15 -13.691 -11.571 -10.021 1.00 30.13 H new ATOM 242 N HIS A 16 -16.486 -14.788 -7.875 1.00 53.24 N ATOM 243 CA HIS A 16 -17.143 -16.005 -7.413 1.00 35.24 C ATOM 244 C HIS A 16 -18.429 -15.677 -6.661 1.00 4.32 C ATOM 245 O HIS A 16 -19.506 -16.159 -7.012 1.00 21.51 O ATOM 246 CB HIS A 16 -16.203 -16.808 -6.514 1.00 4.42 C ATOM 247 CG HIS A 16 -15.105 -17.499 -7.261 1.00 62.13 C ATOM 248 ND1 HIS A 16 -14.355 -18.523 -6.721 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.630 -17.310 -8.515 1.00 31.25 C ATOM 250 CE1 HIS A 16 -13.467 -18.933 -7.609 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.614 -18.212 -8.706 1.00 3.45 N ATOM 0 H HIS A 16 -15.965 -14.291 -7.153 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.397 -16.605 -8.287 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -15.763 -16.140 -5.774 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -16.783 -17.551 -5.968 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -14.985 -16.584 -9.232 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -12.745 -19.722 -7.463 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -13.061 -18.310 -9.558 1.00 3.45 H new ATOM 259 N LYS A 17 -18.309 -14.854 -5.625 1.00 61.21 N ATOM 260 CA LYS A 17 -19.461 -14.459 -4.823 1.00 22.12 C ATOM 261 C LYS A 17 -20.565 -13.884 -5.702 1.00 0.25 C ATOM 262 O LYS A 17 -21.661 -14.439 -5.785 1.00 10.32 O ATOM 263 CB LYS A 17 -19.046 -13.432 -3.768 1.00 44.13 C ATOM 264 CG LYS A 17 -20.207 -12.905 -2.942 1.00 25.14 C ATOM 265 CD LYS A 17 -19.801 -12.668 -1.497 1.00 21.12 C ATOM 266 CE LYS A 17 -20.150 -13.858 -0.618 1.00 41.30 C ATOM 267 NZ LYS A 17 -21.612 -13.936 -0.343 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.425 -14.447 -5.321 1.00 61.21 H new ATOM 0 HA LYS A 17 -19.846 -15.348 -4.323 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -18.313 -13.885 -3.101 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -18.553 -12.595 -4.262 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -20.570 -11.974 -3.376 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -21.032 -13.616 -2.977 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -18.729 -12.478 -1.446 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -20.301 -11.776 -1.119 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -19.823 -14.777 -1.104 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -19.607 -13.785 0.324 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -21.786 -14.628 0.414 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -21.960 -13.002 -0.045 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -22.112 -14.233 -1.205 1.00 5.43 H new ATOM 281 N LYS A 18 -20.270 -12.768 -6.360 1.00 52.14 N ATOM 282 CA LYS A 18 -21.236 -12.117 -7.237 1.00 54.44 C ATOM 283 C LYS A 18 -22.459 -11.654 -6.451 1.00 32.34 C ATOM 284 O LYS A 18 -23.510 -12.294 -6.485 1.00 34.21 O ATOM 285 CB LYS A 18 -21.666 -13.072 -8.353 1.00 42.22 C ATOM 286 CG LYS A 18 -22.247 -12.366 -9.567 1.00 44.35 C ATOM 287 CD LYS A 18 -21.210 -12.200 -10.665 1.00 64.32 C ATOM 288 CE LYS A 18 -21.366 -13.262 -11.744 1.00 31.44 C ATOM 289 NZ LYS A 18 -20.074 -13.555 -12.423 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.368 -12.295 -6.302 1.00 52.14 H new ATOM 0 HA LYS A 18 -20.757 -11.243 -7.679 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -20.806 -13.664 -8.665 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -22.406 -13.768 -7.959 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -23.095 -12.935 -9.949 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -22.627 -11.387 -9.273 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -21.306 -11.210 -11.111 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -20.210 -12.261 -10.235 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -21.759 -14.177 -11.300 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -22.096 -12.927 -12.481 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -20.222 -14.283 -13.151 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -19.712 -12.688 -12.869 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -19.385 -13.899 -11.724 1.00 32.22 H new ATOM 303 N LYS A 19 -22.314 -10.538 -5.744 1.00 12.44 N ATOM 304 CA LYS A 19 -23.407 -9.988 -4.951 1.00 30.35 C ATOM 305 C LYS A 19 -24.469 -9.361 -5.850 1.00 22.33 C ATOM 306 O LYS A 19 -25.580 -9.071 -5.405 1.00 13.24 O ATOM 307 CB LYS A 19 -22.874 -8.942 -3.969 1.00 52.34 C ATOM 308 CG LYS A 19 -23.821 -8.653 -2.817 1.00 43.25 C ATOM 309 CD LYS A 19 -24.430 -7.266 -2.931 1.00 35.41 C ATOM 310 CE LYS A 19 -23.474 -6.194 -2.431 1.00 22.10 C ATOM 311 NZ LYS A 19 -24.177 -4.912 -2.144 1.00 2.42 N1+ ATOM 0 H LYS A 19 -21.450 -9.997 -5.704 1.00 12.44 H new ATOM 0 HA LYS A 19 -23.865 -10.804 -4.392 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -21.920 -9.285 -3.568 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -22.678 -8.015 -4.509 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -24.615 -9.400 -2.801 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -23.284 -8.739 -1.873 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -24.691 -7.066 -3.970 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -25.356 -7.226 -2.357 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -22.976 -6.545 -1.527 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -22.698 -6.023 -3.177 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -23.491 -4.208 -1.806 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -24.631 -4.563 -3.012 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -24.901 -5.069 -1.414 1.00 2.42 H new ATOM 325 N THR A 20 -24.121 -9.157 -7.117 1.00 74.11 N ATOM 326 CA THR A 20 -25.044 -8.567 -8.077 1.00 2.32 C ATOM 327 C THR A 20 -24.731 -9.029 -9.495 1.00 43.42 C ATOM 328 O THR A 20 -24.007 -8.359 -10.232 1.00 50.52 O ATOM 329 CB THR A 20 -24.997 -7.027 -8.028 1.00 75.53 C ATOM 330 OG1 THR A 20 -23.696 -6.590 -7.618 1.00 14.51 O ATOM 331 CG2 THR A 20 -26.046 -6.485 -7.070 1.00 11.21 C ATOM 0 H THR A 20 -23.206 -9.392 -7.501 1.00 74.11 H new ATOM 0 HA THR A 20 -26.044 -8.901 -7.801 1.00 2.32 H new ATOM 0 HB THR A 20 -25.209 -6.646 -9.027 1.00 75.53 H new ATOM 0 HG1 THR A 20 -23.227 -6.195 -8.383 1.00 14.51 H new ATOM 0 HG21 THR A 20 -25.994 -5.396 -7.052 1.00 11.21 H new ATOM 0 HG22 THR A 20 -27.037 -6.796 -7.402 1.00 11.21 H new ATOM 0 HG23 THR A 20 -25.860 -6.874 -6.069 1.00 11.21 H new ATOM 339 N GLY A 21 -25.284 -10.178 -9.874 1.00 32.30 N ATOM 340 CA GLY A 21 -25.052 -10.709 -11.204 1.00 50.33 C ATOM 341 C GLY A 21 -25.831 -9.964 -12.270 1.00 2.24 C ATOM 342 O GLY A 21 -25.399 -9.876 -13.418 1.00 35.14 O ATOM 0 H GLY A 21 -25.888 -10.750 -9.284 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -23.988 -10.656 -11.432 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -25.330 -11.763 -11.225 1.00 50.33 H new ATOM 346 N GLY A 22 -26.987 -9.427 -11.890 1.00 31.51 N ATOM 347 CA GLY A 22 -27.811 -8.695 -12.833 1.00 45.51 C ATOM 348 C GLY A 22 -28.356 -7.406 -12.249 1.00 10.31 C ATOM 349 O GLY A 22 -29.222 -7.429 -11.374 1.00 73.31 O ATOM 0 H GLY A 22 -27.367 -9.486 -10.945 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -27.224 -8.467 -13.723 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -28.641 -9.326 -13.151 1.00 45.51 H new ATOM 353 N TYR A 23 -27.847 -6.278 -12.732 1.00 71.54 N ATOM 354 CA TYR A 23 -28.285 -4.974 -12.250 1.00 55.03 C ATOM 355 C TYR A 23 -29.553 -4.524 -12.968 1.00 51.04 C ATOM 356 O TYR A 23 -29.852 -4.957 -14.082 1.00 40.24 O ATOM 357 CB TYR A 23 -27.179 -3.936 -12.447 1.00 51.42 C ATOM 358 CG TYR A 23 -25.852 -4.343 -11.847 1.00 14.11 C ATOM 359 CD1 TYR A 23 -24.999 -5.210 -12.521 1.00 54.44 C ATOM 360 CD2 TYR A 23 -25.450 -3.863 -10.606 1.00 31.13 C ATOM 361 CE1 TYR A 23 -23.786 -5.585 -11.977 1.00 73.33 C ATOM 362 CE2 TYR A 23 -24.239 -4.233 -10.055 1.00 4.11 C ATOM 363 CZ TYR A 23 -23.411 -5.095 -10.744 1.00 61.03 C ATOM 364 OH TYR A 23 -22.204 -5.466 -10.197 1.00 22.01 O ATOM 0 H TYR A 23 -27.131 -6.241 -13.457 1.00 71.54 H new ATOM 0 HA TYR A 23 -28.505 -5.064 -11.186 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -27.046 -3.757 -13.514 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -27.495 -2.992 -12.003 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -25.290 -5.597 -13.486 1.00 54.44 H new ATOM 0 HD2 TYR A 23 -26.096 -3.189 -10.063 1.00 31.13 H new ATOM 0 HE1 TYR A 23 -23.135 -6.258 -12.515 1.00 73.33 H new ATOM 0 HE2 TYR A 23 -23.942 -3.850 -9.090 1.00 4.11 H new ATOM 0 HH TYR A 23 -21.981 -4.863 -9.457 1.00 22.01 H new ATOM 374 N PRO A 24 -30.317 -3.634 -12.318 1.00 64.11 N ATOM 375 CA PRO A 24 -31.565 -3.105 -12.875 1.00 61.32 C ATOM 376 C PRO A 24 -31.322 -2.176 -14.060 1.00 73.43 C ATOM 377 O PRO A 24 -32.174 -2.042 -14.939 1.00 43.22 O ATOM 378 CB PRO A 24 -32.175 -2.329 -11.704 1.00 74.10 C ATOM 379 CG PRO A 24 -31.013 -1.955 -10.851 1.00 61.12 C ATOM 380 CD PRO A 24 -30.021 -3.076 -10.987 1.00 71.12 C ATOM 0 HA PRO A 24 -32.207 -3.897 -13.261 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -32.712 -1.446 -12.051 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -32.890 -2.941 -11.153 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -30.579 -1.009 -11.175 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -31.317 -1.827 -9.812 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -28.995 -2.715 -10.922 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -30.147 -3.821 -10.202 1.00 71.12 H new ATOM 388 N TRP A 25 -30.158 -1.540 -14.078 1.00 72.25 N ATOM 389 CA TRP A 25 -29.804 -0.624 -15.157 1.00 30.04 C ATOM 390 C TRP A 25 -28.615 -1.153 -15.951 1.00 53.24 C ATOM 391 O TRP A 25 -28.491 -0.894 -17.148 1.00 23.21 O ATOM 392 CB TRP A 25 -29.481 0.761 -14.593 1.00 34.53 C ATOM 393 CG TRP A 25 -28.027 0.956 -14.290 1.00 21.43 C ATOM 394 CD1 TRP A 25 -27.123 1.663 -15.031 1.00 33.43 C ATOM 395 CD2 TRP A 25 -27.308 0.434 -13.168 1.00 71.34 C ATOM 396 NE1 TRP A 25 -25.885 1.613 -14.436 1.00 42.31 N ATOM 397 CE2 TRP A 25 -25.973 0.865 -13.291 1.00 15.21 C ATOM 398 CE3 TRP A 25 -27.661 -0.354 -12.070 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -24.994 0.533 -12.358 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -26.689 -0.683 -11.144 1.00 43.32 C ATOM 401 CH2 TRP A 25 -25.369 -0.239 -11.293 1.00 1.43 C ATOM 0 H TRP A 25 -29.442 -1.641 -13.358 1.00 72.25 H new ATOM 0 HA TRP A 25 -30.659 -0.545 -15.828 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -29.800 1.520 -15.308 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -30.059 0.918 -13.682 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -27.348 2.185 -15.950 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -25.039 2.060 -14.789 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -28.676 -0.700 -11.947 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -23.975 0.873 -12.471 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -26.952 -1.292 -10.292 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -24.632 -0.512 -10.552 1.00 1.43 H new ATOM 412 N GLU A 26 -27.741 -1.894 -15.278 1.00 72.34 N ATOM 413 CA GLU A 26 -26.561 -2.458 -15.922 1.00 31.52 C ATOM 414 C GLU A 26 -26.773 -3.933 -16.252 1.00 33.20 C ATOM 415 O GLU A 26 -26.413 -4.813 -15.470 1.00 21.44 O ATOM 416 CB GLU A 26 -25.333 -2.297 -15.022 1.00 44.33 C ATOM 417 CG GLU A 26 -24.318 -1.298 -15.550 1.00 60.34 C ATOM 418 CD GLU A 26 -22.927 -1.890 -15.674 1.00 44.43 C ATOM 419 OE1 GLU A 26 -22.807 -3.024 -16.181 1.00 4.41 O1- ATOM 420 OE2 GLU A 26 -21.958 -1.218 -15.261 1.00 23.22 O ATOM 0 H GLU A 26 -27.828 -2.118 -14.287 1.00 72.34 H new ATOM 0 HA GLU A 26 -26.394 -1.915 -16.852 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -25.658 -1.982 -14.031 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -24.849 -3.267 -14.905 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -24.643 -0.936 -16.525 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -24.284 -0.435 -14.885 1.00 60.34 H new ATOM 427 N ARG A 27 -27.360 -4.195 -17.415 1.00 44.35 N ATOM 428 CA ARG A 27 -27.622 -5.562 -17.848 1.00 14.45 C ATOM 429 C ARG A 27 -26.520 -6.058 -18.780 1.00 63.40 C ATOM 430 O ARG A 27 -26.250 -7.255 -18.856 1.00 51.24 O ATOM 431 CB ARG A 27 -28.977 -5.645 -18.553 1.00 64.51 C ATOM 432 CG ARG A 27 -29.079 -4.759 -19.784 1.00 64.01 C ATOM 433 CD ARG A 27 -29.347 -5.578 -21.038 1.00 33.30 C ATOM 434 NE ARG A 27 -28.647 -5.041 -22.202 1.00 54.14 N ATOM 435 CZ ARG A 27 -28.827 -5.491 -23.440 1.00 4.33 C ATOM 436 NH1 ARG A 27 -29.680 -6.480 -23.671 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -28.154 -4.952 -24.447 1.00 42.52 N ATOM 0 H ARG A 27 -27.663 -3.478 -18.074 1.00 44.35 H new ATOM 0 HA ARG A 27 -27.640 -6.199 -16.964 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -29.163 -6.679 -18.844 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -29.761 -5.366 -17.849 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -29.879 -4.032 -19.645 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -28.154 -4.196 -19.906 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -29.035 -6.609 -20.871 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -30.419 -5.597 -21.236 1.00 33.30 H new ATOM 0 HE ARG A 27 -27.984 -4.279 -22.057 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -30.199 -6.897 -22.898 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -29.817 -6.824 -24.621 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -27.497 -4.191 -24.272 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -28.293 -5.298 -25.396 1.00 42.52 H new ATOM 451 N GLY A 28 -25.888 -5.127 -19.489 1.00 65.44 N ATOM 452 CA GLY A 28 -24.825 -5.489 -20.407 1.00 65.51 C ATOM 453 C GLY A 28 -23.539 -5.851 -19.690 1.00 63.23 C ATOM 454 O GLY A 28 -22.681 -4.996 -19.468 1.00 64.12 O ATOM 0 H GLY A 28 -26.094 -4.129 -19.443 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -25.147 -6.333 -21.017 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -24.637 -4.658 -21.087 1.00 65.51 H new ATOM 458 N LYS A 29 -23.404 -7.121 -19.325 1.00 32.43 N ATOM 459 CA LYS A 29 -22.213 -7.596 -18.629 1.00 50.03 C ATOM 460 C LYS A 29 -20.979 -7.475 -19.517 1.00 32.31 C ATOM 461 O LYS A 29 -19.901 -7.106 -19.050 1.00 52.13 O ATOM 462 CB LYS A 29 -22.399 -9.050 -18.192 1.00 52.24 C ATOM 463 CG LYS A 29 -23.652 -9.282 -17.365 1.00 1.10 C ATOM 464 CD LYS A 29 -23.892 -10.762 -17.117 1.00 42.12 C ATOM 465 CE LYS A 29 -23.341 -11.197 -15.767 1.00 31.11 C ATOM 466 NZ LYS A 29 -23.863 -12.531 -15.360 1.00 23.05 N1+ ATOM 0 H LYS A 29 -24.105 -7.841 -19.500 1.00 32.43 H new ATOM 0 HA LYS A 29 -22.066 -6.973 -17.746 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -22.436 -9.685 -19.077 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -21.529 -9.361 -17.613 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -23.560 -8.763 -16.411 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -24.513 -8.854 -17.879 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -24.961 -10.971 -17.159 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -23.422 -11.346 -17.908 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -22.252 -11.231 -15.813 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -23.605 -10.457 -15.011 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -23.465 -12.792 -14.435 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -24.900 -12.492 -15.292 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -23.589 -13.242 -16.068 1.00 23.05 H new ATOM 480 N ALA A 30 -21.145 -7.784 -20.798 1.00 52.51 N ATOM 481 CA ALA A 30 -20.044 -7.706 -21.751 1.00 34.32 C ATOM 482 C ALA A 30 -19.481 -6.291 -21.825 1.00 4.04 C ATOM 483 O ALA A 30 -20.218 -5.331 -22.059 1.00 72.01 O ATOM 484 CB ALA A 30 -20.504 -8.166 -23.127 1.00 45.32 C ATOM 0 H ALA A 30 -22.031 -8.091 -21.200 1.00 52.51 H new ATOM 0 HA ALA A 30 -19.249 -8.367 -21.406 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -19.672 -8.103 -23.829 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -20.852 -9.197 -23.068 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -21.318 -7.528 -23.471 1.00 45.32 H new TER 490 ALA A 30