USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 237 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 GLU N :NH3+ -117:sc= -0.0654 (180deg=-0.395) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00396 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 20 SER OG : rot -90:sc= -0.248 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.086) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 38:sc= 0.318 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.293 -1.014 -1.806 1.00 51.43 N ATOM 2 CA GLU A 1 2.189 0.000 -1.263 1.00 1.22 C ATOM 3 C GLU A 1 3.591 -0.567 -1.056 1.00 35.12 C ATOM 4 O GLU A 1 4.163 -0.457 0.029 1.00 61.42 O ATOM 5 CB GLU A 1 1.644 0.537 0.062 1.00 54.50 C ATOM 6 CG GLU A 1 0.358 1.334 -0.087 1.00 60.52 C ATOM 7 CD GLU A 1 0.606 2.768 -0.513 1.00 71.40 C ATOM 8 OE1 GLU A 1 0.824 3.620 0.374 1.00 62.24 O ATOM 9 OE2 GLU A 1 0.581 3.038 -1.732 1.00 25.12 O ATOM 0 H1 GLU A 1 0.964 -0.718 -2.747 1.00 51.43 H new ATOM 0 H2 GLU A 1 1.800 -1.919 -1.885 1.00 51.43 H new ATOM 0 H3 GLU A 1 0.475 -1.129 -1.174 1.00 51.43 H new ATOM 0 HA GLU A 1 2.249 0.818 -1.981 1.00 1.22 H new ATOM 0 HB2 GLU A 1 1.467 -0.299 0.738 1.00 54.50 H new ATOM 0 HB3 GLU A 1 2.401 1.168 0.527 1.00 54.50 H new ATOM 0 HG2 GLU A 1 -0.284 0.847 -0.821 1.00 60.52 H new ATOM 0 HG3 GLU A 1 -0.180 1.328 0.861 1.00 60.52 H new ATOM 16 N CYS A 2 4.137 -1.174 -2.104 1.00 22.44 N ATOM 17 CA CYS A 2 5.471 -1.760 -2.039 1.00 35.54 C ATOM 18 C CYS A 2 6.485 -0.888 -2.773 1.00 75.22 C ATOM 19 O CYS A 2 6.163 -0.259 -3.782 1.00 34.45 O ATOM 20 CB CYS A 2 5.462 -3.168 -2.639 1.00 52.43 C ATOM 21 SG CYS A 2 4.099 -4.221 -2.046 1.00 1.11 S ATOM 0 H CYS A 2 3.677 -1.273 -3.009 1.00 22.44 H new ATOM 0 HA CYS A 2 5.763 -1.821 -0.991 1.00 35.54 H new ATOM 0 HB2 CYS A 2 5.399 -3.088 -3.724 1.00 52.43 H new ATOM 0 HB3 CYS A 2 6.410 -3.655 -2.409 1.00 52.43 H new ATOM 26 N ARG A 3 7.710 -0.856 -2.261 1.00 2.14 N ATOM 27 CA ARG A 3 8.771 -0.061 -2.867 1.00 2.42 C ATOM 28 C ARG A 3 10.078 -0.846 -2.917 1.00 63.34 C ATOM 29 O ARG A 3 10.175 -1.946 -2.372 1.00 1.33 O ATOM 30 CB ARG A 3 8.974 1.238 -2.085 1.00 4.34 C ATOM 31 CG ARG A 3 7.675 1.902 -1.659 1.00 2.34 C ATOM 32 CD ARG A 3 7.743 3.413 -1.819 1.00 71.14 C ATOM 33 NE ARG A 3 6.779 4.098 -0.962 1.00 43.33 N ATOM 34 CZ ARG A 3 5.482 4.182 -1.236 1.00 0.24 C ATOM 35 NH1 ARG A 3 4.996 3.626 -2.337 1.00 12.34 N ATOM 36 NH2 ARG A 3 4.668 4.823 -0.406 1.00 62.12 N ATOM 0 H ARG A 3 7.993 -1.372 -1.428 1.00 2.14 H new ATOM 0 HA ARG A 3 8.472 0.180 -3.887 1.00 2.42 H new ATOM 0 HB2 ARG A 3 9.573 1.029 -1.199 1.00 4.34 H new ATOM 0 HB3 ARG A 3 9.545 1.936 -2.698 1.00 4.34 H new ATOM 0 HG2 ARG A 3 6.852 1.509 -2.255 1.00 2.34 H new ATOM 0 HG3 ARG A 3 7.463 1.654 -0.619 1.00 2.34 H new ATOM 0 HD2 ARG A 3 8.749 3.758 -1.581 1.00 71.14 H new ATOM 0 HD3 ARG A 3 7.554 3.676 -2.860 1.00 71.14 H new ATOM 0 HE ARG A 3 7.120 4.536 -0.106 1.00 43.33 H new ATOM 0 HH11 ARG A 3 5.619 3.132 -2.976 1.00 12.34 H new ATOM 0 HH12 ARG A 3 4.000 3.692 -2.545 1.00 12.34 H new ATOM 0 HH21 ARG A 3 5.039 5.251 0.442 1.00 62.12 H new ATOM 0 HH22 ARG A 3 3.672 4.887 -0.617 1.00 62.12 H new ATOM 50 N TYR A 4 11.080 -0.275 -3.576 1.00 64.21 N ATOM 51 CA TYR A 4 12.381 -0.923 -3.701 1.00 13.03 C ATOM 52 C TYR A 4 13.312 -0.498 -2.569 1.00 73.12 C ATOM 53 O TYR A 4 12.910 0.227 -1.658 1.00 45.21 O ATOM 54 CB TYR A 4 13.015 -0.586 -5.051 1.00 54.14 C ATOM 55 CG TYR A 4 12.690 0.807 -5.542 1.00 4.35 C ATOM 56 CD1 TYR A 4 13.440 1.902 -5.130 1.00 11.15 C ATOM 57 CD2 TYR A 4 11.635 1.028 -6.418 1.00 12.43 C ATOM 58 CE1 TYR A 4 13.147 3.177 -5.574 1.00 73.43 C ATOM 59 CE2 TYR A 4 11.335 2.299 -6.869 1.00 3.41 C ATOM 60 CZ TYR A 4 12.094 3.370 -6.444 1.00 13.21 C ATOM 61 OH TYR A 4 11.799 4.638 -6.890 1.00 43.14 O ATOM 0 H TYR A 4 11.017 0.635 -4.032 1.00 64.21 H new ATOM 0 HA TYR A 4 12.229 -2.001 -3.638 1.00 13.03 H new ATOM 0 HB2 TYR A 4 14.097 -0.691 -4.971 1.00 54.14 H new ATOM 0 HB3 TYR A 4 12.679 -1.311 -5.792 1.00 54.14 H new ATOM 0 HD1 TYR A 4 14.266 1.754 -4.451 1.00 11.15 H new ATOM 0 HD2 TYR A 4 11.039 0.192 -6.752 1.00 12.43 H new ATOM 0 HE1 TYR A 4 13.739 4.017 -5.242 1.00 73.43 H new ATOM 0 HE2 TYR A 4 10.511 2.453 -7.550 1.00 3.41 H new ATOM 0 HH TYR A 4 11.030 4.601 -7.497 1.00 43.14 H new ATOM 71 N LEU A 5 14.558 -0.954 -2.634 1.00 74.44 N ATOM 72 CA LEU A 5 15.548 -0.622 -1.616 1.00 63.14 C ATOM 73 C LEU A 5 15.605 0.884 -1.383 1.00 11.11 C ATOM 74 O LEU A 5 15.566 1.348 -0.243 1.00 43.11 O ATOM 75 CB LEU A 5 16.927 -1.138 -2.031 1.00 45.55 C ATOM 76 CG LEU A 5 17.933 -1.351 -0.899 1.00 50.34 C ATOM 77 CD1 LEU A 5 19.117 -2.173 -1.385 1.00 11.43 C ATOM 78 CD2 LEU A 5 18.401 -0.014 -0.343 1.00 45.25 C ATOM 0 H LEU A 5 14.907 -1.555 -3.381 1.00 74.44 H new ATOM 0 HA LEU A 5 15.251 -1.104 -0.684 1.00 63.14 H new ATOM 0 HB2 LEU A 5 16.796 -2.084 -2.556 1.00 45.55 H new ATOM 0 HB3 LEU A 5 17.357 -0.434 -2.744 1.00 45.55 H new ATOM 0 HG LEU A 5 17.439 -1.902 -0.098 1.00 50.34 H new ATOM 0 HD11 LEU A 5 19.822 -2.314 -0.566 1.00 11.43 H new ATOM 0 HD12 LEU A 5 18.767 -3.144 -1.734 1.00 11.43 H new ATOM 0 HD13 LEU A 5 19.612 -1.650 -2.204 1.00 11.43 H new ATOM 0 HD21 LEU A 5 19.116 -0.185 0.462 1.00 45.25 H new ATOM 0 HD22 LEU A 5 18.877 0.563 -1.136 1.00 45.25 H new ATOM 0 HD23 LEU A 5 17.545 0.539 0.044 1.00 45.25 H new ATOM 90 N PHE A 6 15.695 1.643 -2.470 1.00 14.31 N ATOM 91 CA PHE A 6 15.755 3.098 -2.384 1.00 20.22 C ATOM 92 C PHE A 6 14.371 3.685 -2.126 1.00 55.32 C ATOM 93 O PHE A 6 14.232 4.873 -1.835 1.00 63.42 O ATOM 94 CB PHE A 6 16.338 3.682 -3.672 1.00 51.30 C ATOM 95 CG PHE A 6 17.726 3.195 -3.977 1.00 54.22 C ATOM 96 CD1 PHE A 6 18.729 3.280 -3.025 1.00 73.32 C ATOM 97 CD2 PHE A 6 18.027 2.653 -5.216 1.00 51.33 C ATOM 98 CE1 PHE A 6 20.007 2.832 -3.303 1.00 33.04 C ATOM 99 CE2 PHE A 6 19.303 2.204 -5.499 1.00 72.42 C ATOM 100 CZ PHE A 6 20.294 2.294 -4.542 1.00 2.23 C ATOM 0 H PHE A 6 15.728 1.275 -3.421 1.00 14.31 H new ATOM 0 HA PHE A 6 16.403 3.362 -1.548 1.00 20.22 H new ATOM 0 HB2 PHE A 6 15.682 3.430 -4.505 1.00 51.30 H new ATOM 0 HB3 PHE A 6 16.352 4.769 -3.595 1.00 51.30 H new ATOM 0 HD1 PHE A 6 18.510 3.701 -2.055 1.00 73.32 H new ATOM 0 HD2 PHE A 6 17.256 2.581 -5.969 1.00 51.33 H new ATOM 0 HE1 PHE A 6 20.780 2.903 -2.552 1.00 33.04 H new ATOM 0 HE2 PHE A 6 19.525 1.783 -6.468 1.00 72.42 H new ATOM 0 HZ PHE A 6 21.292 1.944 -4.762 1.00 2.23 H new ATOM 110 N GLY A 7 13.347 2.844 -2.236 1.00 70.34 N ATOM 111 CA GLY A 7 11.987 3.297 -2.013 1.00 54.03 C ATOM 112 C GLY A 7 11.827 4.023 -0.692 1.00 75.22 C ATOM 113 O GLY A 7 11.609 5.233 -0.663 1.00 55.23 O ATOM 0 H GLY A 7 13.436 1.857 -2.476 1.00 70.34 H new ATOM 0 HA2 GLY A 7 11.690 3.959 -2.826 1.00 54.03 H new ATOM 0 HA3 GLY A 7 11.313 2.440 -2.037 1.00 54.03 H new ATOM 117 N GLY A 8 11.933 3.281 0.406 1.00 64.41 N ATOM 118 CA GLY A 8 11.794 3.878 1.721 1.00 24.22 C ATOM 119 C GLY A 8 10.482 3.515 2.387 1.00 71.00 C ATOM 120 O GLY A 8 9.410 3.726 1.819 1.00 72.52 O ATOM 0 H GLY A 8 12.113 2.277 0.408 1.00 64.41 H new ATOM 0 HA2 GLY A 8 12.621 3.554 2.353 1.00 24.22 H new ATOM 0 HA3 GLY A 8 11.866 4.962 1.634 1.00 24.22 H new ATOM 124 N CYS A 9 10.564 2.966 3.594 1.00 5.55 N ATOM 125 CA CYS A 9 9.375 2.571 4.338 1.00 14.03 C ATOM 126 C CYS A 9 9.626 2.637 5.842 1.00 41.31 C ATOM 127 O CYS A 9 10.719 2.991 6.284 1.00 41.20 O ATOM 128 CB CYS A 9 8.948 1.156 3.943 1.00 33.14 C ATOM 129 SG CYS A 9 10.321 -0.039 3.860 1.00 55.35 S ATOM 0 H CYS A 9 11.443 2.784 4.078 1.00 5.55 H new ATOM 0 HA CYS A 9 8.574 3.268 4.091 1.00 14.03 H new ATOM 0 HB2 CYS A 9 8.211 0.797 4.661 1.00 33.14 H new ATOM 0 HB3 CYS A 9 8.455 1.195 2.972 1.00 33.14 H new ATOM 134 N SER A 10 8.606 2.294 6.623 1.00 45.15 N ATOM 135 CA SER A 10 8.715 2.318 8.077 1.00 61.25 C ATOM 136 C SER A 10 8.660 0.904 8.648 1.00 4.55 C ATOM 137 O SER A 10 9.146 0.650 9.750 1.00 22.34 O ATOM 138 CB SER A 10 7.595 3.168 8.679 1.00 72.20 C ATOM 139 OG SER A 10 6.332 2.790 8.159 1.00 70.03 O ATOM 0 H SER A 10 7.695 1.996 6.273 1.00 45.15 H new ATOM 0 HA SER A 10 9.677 2.760 8.338 1.00 61.25 H new ATOM 0 HB2 SER A 10 7.593 3.057 9.763 1.00 72.20 H new ATOM 0 HB3 SER A 10 7.779 4.221 8.466 1.00 72.20 H new ATOM 0 HG SER A 10 5.633 3.347 8.561 1.00 70.03 H new ATOM 145 N SER A 11 8.065 -0.011 7.891 1.00 71.11 N ATOM 146 CA SER A 11 7.942 -1.398 8.323 1.00 63.43 C ATOM 147 C SER A 11 8.371 -2.353 7.212 1.00 2.14 C ATOM 148 O SER A 11 8.455 -1.970 6.045 1.00 11.40 O ATOM 149 CB SER A 11 6.502 -1.699 8.741 1.00 32.11 C ATOM 150 OG SER A 11 6.450 -2.792 9.641 1.00 32.33 O ATOM 0 H SER A 11 7.660 0.183 6.975 1.00 71.11 H new ATOM 0 HA SER A 11 8.600 -1.545 9.180 1.00 63.43 H new ATOM 0 HB2 SER A 11 6.064 -0.817 9.209 1.00 32.11 H new ATOM 0 HB3 SER A 11 5.903 -1.922 7.858 1.00 32.11 H new ATOM 0 HG SER A 11 5.519 -2.963 9.894 1.00 32.33 H new ATOM 156 N THR A 12 8.642 -3.600 7.585 1.00 64.14 N ATOM 157 CA THR A 12 9.064 -4.610 6.622 1.00 32.34 C ATOM 158 C THR A 12 7.913 -5.012 5.708 1.00 73.45 C ATOM 159 O THR A 12 8.130 -5.487 4.593 1.00 71.41 O ATOM 160 CB THR A 12 9.606 -5.867 7.329 1.00 63.13 C ATOM 161 OG1 THR A 12 8.697 -6.285 8.353 1.00 53.32 O ATOM 162 CG2 THR A 12 10.974 -5.598 7.937 1.00 3.13 C ATOM 0 H THR A 12 8.577 -3.935 8.546 1.00 64.14 H new ATOM 0 HA THR A 12 9.860 -4.165 6.025 1.00 32.34 H new ATOM 0 HB THR A 12 9.705 -6.659 6.587 1.00 63.13 H new ATOM 0 HG1 THR A 12 9.049 -7.085 8.796 1.00 53.32 H new ATOM 0 HG21 THR A 12 11.336 -6.500 8.431 1.00 3.13 H new ATOM 0 HG22 THR A 12 11.671 -5.310 7.150 1.00 3.13 H new ATOM 0 HG23 THR A 12 10.896 -4.792 8.666 1.00 3.13 H new ATOM 170 N SER A 13 6.688 -4.818 6.185 1.00 34.44 N ATOM 171 CA SER A 13 5.501 -5.164 5.411 1.00 64.01 C ATOM 172 C SER A 13 5.484 -4.416 4.081 1.00 21.50 C ATOM 173 O SER A 13 4.843 -4.847 3.122 1.00 32.25 O ATOM 174 CB SER A 13 4.235 -4.842 6.207 1.00 41.24 C ATOM 175 OG SER A 13 3.083 -5.359 5.564 1.00 62.34 O ATOM 0 H SER A 13 6.491 -4.423 7.104 1.00 34.44 H new ATOM 0 HA SER A 13 5.530 -6.234 5.206 1.00 64.01 H new ATOM 0 HB2 SER A 13 4.315 -5.262 7.209 1.00 41.24 H new ATOM 0 HB3 SER A 13 4.138 -3.762 6.321 1.00 41.24 H new ATOM 0 HG SER A 13 2.287 -5.141 6.093 1.00 62.34 H new ATOM 181 N ASP A 14 6.193 -3.294 4.031 1.00 21.24 N ATOM 182 CA ASP A 14 6.261 -2.486 2.820 1.00 41.34 C ATOM 183 C ASP A 14 7.117 -3.169 1.758 1.00 71.23 C ATOM 184 O ASP A 14 6.787 -3.149 0.571 1.00 0.25 O ATOM 185 CB ASP A 14 6.828 -1.101 3.136 1.00 44.00 C ATOM 186 CG ASP A 14 5.756 -0.122 3.571 1.00 50.53 C ATOM 187 OD1 ASP A 14 4.908 0.242 2.729 1.00 35.02 O ATOM 188 OD2 ASP A 14 5.765 0.281 4.753 1.00 74.14 O ATOM 0 H ASP A 14 6.729 -2.923 4.816 1.00 21.24 H new ATOM 0 HA ASP A 14 5.249 -2.376 2.430 1.00 41.34 H new ATOM 0 HB2 ASP A 14 7.577 -1.189 3.923 1.00 44.00 H new ATOM 0 HB3 ASP A 14 7.337 -0.710 2.255 1.00 44.00 H new ATOM 193 N CYS A 15 8.218 -3.773 2.191 1.00 22.24 N ATOM 194 CA CYS A 15 9.123 -4.462 1.279 1.00 1.20 C ATOM 195 C CYS A 15 8.457 -5.698 0.682 1.00 31.33 C ATOM 196 O CYS A 15 8.187 -6.672 1.386 1.00 62.33 O ATOM 197 CB CYS A 15 10.408 -4.862 2.007 1.00 33.31 C ATOM 198 SG CYS A 15 11.378 -3.453 2.633 1.00 61.24 S ATOM 0 H CYS A 15 8.505 -3.799 3.169 1.00 22.24 H new ATOM 0 HA CYS A 15 9.371 -3.778 0.468 1.00 1.20 H new ATOM 0 HB2 CYS A 15 10.152 -5.513 2.843 1.00 33.31 H new ATOM 0 HB3 CYS A 15 11.031 -5.445 1.329 1.00 33.31 H new ATOM 203 N CYS A 16 8.194 -5.652 -0.619 1.00 43.15 N ATOM 204 CA CYS A 16 7.560 -6.767 -1.312 1.00 51.33 C ATOM 205 C CYS A 16 8.470 -7.316 -2.407 1.00 4.02 C ATOM 206 O CYS A 16 8.212 -8.381 -2.969 1.00 4.34 O ATOM 207 CB CYS A 16 6.226 -6.326 -1.917 1.00 53.43 C ATOM 208 SG CYS A 16 5.107 -5.509 -0.734 1.00 74.03 S ATOM 0 H CYS A 16 8.410 -4.853 -1.216 1.00 43.15 H new ATOM 0 HA CYS A 16 7.378 -7.558 -0.584 1.00 51.33 H new ATOM 0 HB2 CYS A 16 6.422 -5.645 -2.745 1.00 53.43 H new ATOM 0 HB3 CYS A 16 5.722 -7.198 -2.334 1.00 53.43 H new ATOM 213 N LYS A 17 9.537 -6.582 -2.705 1.00 22.13 N ATOM 214 CA LYS A 17 10.488 -6.994 -3.730 1.00 62.52 C ATOM 215 C LYS A 17 11.657 -7.755 -3.113 1.00 64.55 C ATOM 216 O LYS A 17 12.803 -7.604 -3.538 1.00 43.53 O ATOM 217 CB LYS A 17 11.006 -5.774 -4.495 1.00 24.24 C ATOM 218 CG LYS A 17 11.512 -6.100 -5.889 1.00 53.25 C ATOM 219 CD LYS A 17 12.659 -5.189 -6.294 1.00 22.45 C ATOM 220 CE LYS A 17 12.167 -3.994 -7.095 1.00 14.14 C ATOM 221 NZ LYS A 17 13.289 -3.256 -7.738 1.00 23.45 N ATOM 0 H LYS A 17 9.765 -5.698 -2.250 1.00 22.13 H new ATOM 0 HA LYS A 17 9.971 -7.657 -4.424 1.00 62.52 H new ATOM 0 HB2 LYS A 17 10.207 -5.037 -4.571 1.00 24.24 H new ATOM 0 HB3 LYS A 17 11.812 -5.313 -3.924 1.00 24.24 H new ATOM 0 HG2 LYS A 17 11.841 -7.138 -5.924 1.00 53.25 H new ATOM 0 HG3 LYS A 17 10.697 -6.000 -6.605 1.00 53.25 H new ATOM 0 HD2 LYS A 17 13.180 -4.841 -5.402 1.00 22.45 H new ATOM 0 HD3 LYS A 17 13.381 -5.752 -6.886 1.00 22.45 H new ATOM 0 HE2 LYS A 17 11.469 -4.333 -7.861 1.00 14.14 H new ATOM 0 HE3 LYS A 17 11.617 -3.319 -6.439 1.00 14.14 H new ATOM 0 HZ1 LYS A 17 12.911 -2.449 -8.274 1.00 23.45 H new ATOM 0 HZ2 LYS A 17 13.942 -2.910 -7.006 1.00 23.45 H new ATOM 0 HZ3 LYS A 17 13.798 -3.893 -8.384 1.00 23.45 H new ATOM 235 N HIS A 18 11.361 -8.576 -2.110 1.00 52.33 N ATOM 236 CA HIS A 18 12.388 -9.362 -1.437 1.00 31.33 C ATOM 237 C HIS A 18 13.393 -8.455 -0.734 1.00 22.13 C ATOM 238 O HIS A 18 14.604 -8.605 -0.902 1.00 22.33 O ATOM 239 CB HIS A 18 13.110 -10.263 -2.439 1.00 50.24 C ATOM 240 CG HIS A 18 12.183 -11.024 -3.337 1.00 2.23 C ATOM 241 ND1 HIS A 18 12.364 -11.118 -4.700 1.00 43.55 N ATOM 242 CD2 HIS A 18 11.063 -11.731 -3.058 1.00 2.20 C ATOM 243 CE1 HIS A 18 11.395 -11.848 -5.222 1.00 51.20 C ATOM 244 NE2 HIS A 18 10.592 -12.233 -4.246 1.00 41.33 N ATOM 0 H HIS A 18 10.418 -8.714 -1.746 1.00 52.33 H new ATOM 0 HA HIS A 18 11.900 -9.984 -0.687 1.00 31.33 H new ATOM 0 HB2 HIS A 18 13.775 -9.653 -3.050 1.00 50.24 H new ATOM 0 HB3 HIS A 18 13.736 -10.970 -1.894 1.00 50.24 H new ATOM 0 HD2 HIS A 18 10.622 -11.874 -2.083 1.00 2.20 H new ATOM 0 HE1 HIS A 18 11.279 -12.089 -6.268 1.00 51.20 H new ATOM 0 HE2 HIS A 18 9.758 -12.809 -4.357 1.00 41.33 H new ATOM 252 N LEU A 19 12.884 -7.514 0.053 1.00 51.41 N ATOM 253 CA LEU A 19 13.737 -6.581 0.781 1.00 21.12 C ATOM 254 C LEU A 19 13.349 -6.525 2.255 1.00 13.02 C ATOM 255 O LEU A 19 12.275 -6.985 2.642 1.00 34.03 O ATOM 256 CB LEU A 19 13.643 -5.185 0.164 1.00 44.41 C ATOM 257 CG LEU A 19 14.009 -5.079 -1.317 1.00 64.50 C ATOM 258 CD1 LEU A 19 13.084 -4.104 -2.028 1.00 5.45 C ATOM 259 CD2 LEU A 19 15.462 -4.655 -1.479 1.00 13.45 C ATOM 0 H LEU A 19 11.885 -7.377 0.204 1.00 51.41 H new ATOM 0 HA LEU A 19 14.765 -6.935 0.708 1.00 21.12 H new ATOM 0 HB2 LEU A 19 12.624 -4.821 0.293 1.00 44.41 H new ATOM 0 HB3 LEU A 19 14.294 -4.516 0.727 1.00 44.41 H new ATOM 0 HG LEU A 19 13.886 -6.061 -1.773 1.00 64.50 H new ATOM 0 HD11 LEU A 19 13.360 -4.042 -3.081 1.00 5.45 H new ATOM 0 HD12 LEU A 19 12.054 -4.451 -1.943 1.00 5.45 H new ATOM 0 HD13 LEU A 19 13.173 -3.119 -1.571 1.00 5.45 H new ATOM 0 HD21 LEU A 19 15.704 -4.585 -2.539 1.00 13.45 H new ATOM 0 HD22 LEU A 19 15.612 -3.684 -1.007 1.00 13.45 H new ATOM 0 HD23 LEU A 19 16.111 -5.392 -1.006 1.00 13.45 H new ATOM 271 N SER A 20 14.229 -5.956 3.073 1.00 61.43 N ATOM 272 CA SER A 20 13.979 -5.841 4.505 1.00 61.23 C ATOM 273 C SER A 20 14.025 -4.382 4.949 1.00 71.25 C ATOM 274 O SER A 20 15.053 -3.716 4.826 1.00 1.32 O ATOM 275 CB SER A 20 15.007 -6.658 5.291 1.00 51.34 C ATOM 276 OG SER A 20 14.656 -8.030 5.316 1.00 63.42 O ATOM 0 H SER A 20 15.122 -5.567 2.768 1.00 61.43 H new ATOM 0 HA SER A 20 12.982 -6.233 4.707 1.00 61.23 H new ATOM 0 HB2 SER A 20 15.992 -6.540 4.840 1.00 51.34 H new ATOM 0 HB3 SER A 20 15.076 -6.278 6.310 1.00 51.34 H new ATOM 0 HG SER A 20 14.093 -8.209 6.098 1.00 63.42 H new ATOM 282 N CYS A 21 12.903 -3.892 5.465 1.00 51.03 N ATOM 283 CA CYS A 21 12.812 -2.512 5.927 1.00 22.41 C ATOM 284 C CYS A 21 13.446 -2.358 7.306 1.00 25.14 C ATOM 285 O CYS A 21 12.940 -2.886 8.296 1.00 30.24 O ATOM 286 CB CYS A 21 11.350 -2.063 5.973 1.00 44.23 C ATOM 287 SG CYS A 21 11.109 -0.286 5.651 1.00 34.11 S ATOM 0 H CYS A 21 12.044 -4.430 5.574 1.00 51.03 H new ATOM 0 HA CYS A 21 13.357 -1.882 5.223 1.00 22.41 H new ATOM 0 HB2 CYS A 21 10.782 -2.635 5.239 1.00 44.23 H new ATOM 0 HB3 CYS A 21 10.938 -2.303 6.953 1.00 44.23 H new ATOM 292 N ARG A 22 14.557 -1.631 7.363 1.00 44.14 N ATOM 293 CA ARG A 22 15.262 -1.408 8.620 1.00 54.45 C ATOM 294 C ARG A 22 14.686 -0.204 9.359 1.00 54.50 C ATOM 295 O ARG A 22 14.420 0.838 8.758 1.00 23.34 O ATOM 296 CB ARG A 22 16.754 -1.195 8.362 1.00 44.14 C ATOM 297 CG ARG A 22 17.473 -2.444 7.878 1.00 51.24 C ATOM 298 CD ARG A 22 18.981 -2.312 8.025 1.00 14.44 C ATOM 299 NE ARG A 22 19.393 -2.281 9.426 1.00 33.51 N ATOM 300 CZ ARG A 22 19.379 -3.347 10.219 1.00 11.14 C ATOM 301 NH1 ARG A 22 18.976 -4.520 9.752 1.00 61.42 N ATOM 302 NH2 ARG A 22 19.769 -3.240 11.483 1.00 0.21 N ATOM 0 H ARG A 22 14.989 -1.186 6.553 1.00 44.14 H new ATOM 0 HA ARG A 22 15.131 -2.293 9.243 1.00 54.45 H new ATOM 0 HB2 ARG A 22 16.877 -0.405 7.621 1.00 44.14 H new ATOM 0 HB3 ARG A 22 17.227 -0.847 9.280 1.00 44.14 H new ATOM 0 HG2 ARG A 22 17.125 -3.308 8.445 1.00 51.24 H new ATOM 0 HG3 ARG A 22 17.223 -2.627 6.833 1.00 51.24 H new ATOM 0 HD2 ARG A 22 19.469 -3.147 7.522 1.00 14.44 H new ATOM 0 HD3 ARG A 22 19.315 -1.401 7.528 1.00 14.44 H new ATOM 0 HE ARG A 22 19.708 -1.393 9.817 1.00 33.51 H new ATOM 0 HH11 ARG A 22 18.675 -4.606 8.781 1.00 61.42 H new ATOM 0 HH12 ARG A 22 18.966 -5.336 10.363 1.00 61.42 H new ATOM 0 HH21 ARG A 22 20.080 -2.339 11.846 1.00 0.21 H new ATOM 0 HH22 ARG A 22 19.758 -4.059 12.091 1.00 0.21 H new ATOM 316 N SER A 23 14.494 -0.354 10.666 1.00 64.13 N ATOM 317 CA SER A 23 13.946 0.719 11.487 1.00 52.04 C ATOM 318 C SER A 23 15.000 1.787 11.760 1.00 3.10 C ATOM 319 O SER A 23 14.708 2.827 12.351 1.00 71.02 O ATOM 320 CB SER A 23 13.416 0.159 12.808 1.00 1.01 C ATOM 321 OG SER A 23 14.395 0.250 13.829 1.00 33.31 O ATOM 0 H SER A 23 14.710 -1.209 11.179 1.00 64.13 H new ATOM 0 HA SER A 23 13.123 1.178 10.939 1.00 52.04 H new ATOM 0 HB2 SER A 23 12.522 0.707 13.107 1.00 1.01 H new ATOM 0 HB3 SER A 23 13.122 -0.882 12.674 1.00 1.01 H new ATOM 0 HG SER A 23 14.032 -0.113 14.664 1.00 33.31 H new ATOM 327 N ASP A 24 16.228 1.522 11.326 1.00 14.31 N ATOM 328 CA ASP A 24 17.327 2.460 11.522 1.00 11.23 C ATOM 329 C ASP A 24 17.232 3.623 10.539 1.00 73.41 C ATOM 330 O ASP A 24 17.142 4.783 10.941 1.00 24.40 O ATOM 331 CB ASP A 24 18.670 1.746 11.359 1.00 53.41 C ATOM 332 CG ASP A 24 18.861 0.635 12.372 1.00 63.44 C ATOM 333 OD1 ASP A 24 18.168 0.652 13.411 1.00 64.03 O ATOM 334 OD2 ASP A 24 19.704 -0.254 12.125 1.00 55.54 O ATOM 0 H ASP A 24 16.487 0.665 10.836 1.00 14.31 H new ATOM 0 HA ASP A 24 17.256 2.858 12.534 1.00 11.23 H new ATOM 0 HB2 ASP A 24 18.739 1.332 10.353 1.00 53.41 H new ATOM 0 HB3 ASP A 24 19.478 2.470 11.462 1.00 53.41 H new ATOM 339 N TRP A 25 17.252 3.303 9.250 1.00 4.21 N ATOM 340 CA TRP A 25 17.170 4.322 8.209 1.00 35.51 C ATOM 341 C TRP A 25 15.763 4.390 7.625 1.00 32.30 C ATOM 342 O TRP A 25 15.434 5.311 6.878 1.00 52.13 O ATOM 343 CB TRP A 25 18.182 4.030 7.100 1.00 10.23 C ATOM 344 CG TRP A 25 19.532 4.628 7.357 1.00 42.24 C ATOM 345 CD1 TRP A 25 20.301 4.467 8.473 1.00 25.54 C ATOM 346 CD2 TRP A 25 20.271 5.485 6.479 1.00 72.33 C ATOM 347 NE1 TRP A 25 21.474 5.171 8.343 1.00 51.14 N ATOM 348 CE2 TRP A 25 21.480 5.803 7.128 1.00 52.45 C ATOM 349 CE3 TRP A 25 20.030 6.012 5.207 1.00 33.41 C ATOM 350 CZ2 TRP A 25 22.442 6.626 6.547 1.00 74.23 C ATOM 351 CZ3 TRP A 25 20.985 6.828 4.632 1.00 21.22 C ATOM 352 CH2 TRP A 25 22.179 7.128 5.301 1.00 22.11 C ATOM 0 H TRP A 25 17.324 2.347 8.901 1.00 4.21 H new ATOM 0 HA TRP A 25 17.404 5.287 8.660 1.00 35.51 H new ATOM 0 HB2 TRP A 25 18.286 2.951 6.987 1.00 10.23 H new ATOM 0 HB3 TRP A 25 17.796 4.413 6.155 1.00 10.23 H new ATOM 0 HD1 TRP A 25 20.028 3.873 9.333 1.00 25.54 H new ATOM 0 HE1 TRP A 25 22.219 5.216 9.038 1.00 51.14 H new ATOM 0 HE3 TRP A 25 19.113 5.785 4.683 1.00 33.41 H new ATOM 0 HZ2 TRP A 25 23.363 6.860 7.061 1.00 74.23 H new ATOM 0 HZ3 TRP A 25 20.808 7.242 3.650 1.00 21.22 H new ATOM 0 HH2 TRP A 25 22.906 7.768 4.824 1.00 22.11 H new ATOM 363 N LYS A 26 14.935 3.409 7.970 1.00 24.02 N ATOM 364 CA LYS A 26 13.563 3.358 7.481 1.00 34.05 C ATOM 365 C LYS A 26 13.531 3.189 5.966 1.00 74.31 C ATOM 366 O LYS A 26 12.891 3.967 5.258 1.00 4.50 O ATOM 367 CB LYS A 26 12.810 4.630 7.879 1.00 23.12 C ATOM 368 CG LYS A 26 13.028 5.038 9.326 1.00 32.10 C ATOM 369 CD LYS A 26 12.162 6.227 9.706 1.00 2.41 C ATOM 370 CE LYS A 26 12.840 7.544 9.358 1.00 72.21 C ATOM 371 NZ LYS A 26 13.949 7.863 10.299 1.00 60.31 N ATOM 0 H LYS A 26 15.191 2.638 8.587 1.00 24.02 H new ATOM 0 HA LYS A 26 13.074 2.496 7.935 1.00 34.05 H new ATOM 0 HB2 LYS A 26 13.124 5.447 7.229 1.00 23.12 H new ATOM 0 HB3 LYS A 26 11.744 4.479 7.709 1.00 23.12 H new ATOM 0 HG2 LYS A 26 12.800 4.197 9.981 1.00 32.10 H new ATOM 0 HG3 LYS A 26 14.078 5.287 9.481 1.00 32.10 H new ATOM 0 HD2 LYS A 26 11.205 6.161 9.189 1.00 2.41 H new ATOM 0 HD3 LYS A 26 11.950 6.197 10.775 1.00 2.41 H new ATOM 0 HE2 LYS A 26 13.230 7.494 8.341 1.00 72.21 H new ATOM 0 HE3 LYS A 26 12.104 8.348 9.378 1.00 72.21 H new ATOM 0 HZ1 LYS A 26 14.227 8.858 10.183 1.00 60.31 H new ATOM 0 HZ2 LYS A 26 13.631 7.704 11.276 1.00 60.31 H new ATOM 0 HZ3 LYS A 26 14.764 7.250 10.096 1.00 60.31 H new ATOM 385 N TYR A 27 14.222 2.167 5.475 1.00 62.43 N ATOM 386 CA TYR A 27 14.273 1.896 4.043 1.00 44.01 C ATOM 387 C TYR A 27 14.504 0.412 3.777 1.00 63.42 C ATOM 388 O TYR A 27 15.119 -0.288 4.583 1.00 41.43 O ATOM 389 CB TYR A 27 15.381 2.722 3.386 1.00 71.42 C ATOM 390 CG TYR A 27 16.762 2.134 3.566 1.00 23.13 C ATOM 391 CD1 TYR A 27 17.264 1.863 4.833 1.00 13.34 C ATOM 392 CD2 TYR A 27 17.566 1.848 2.469 1.00 12.51 C ATOM 393 CE1 TYR A 27 18.526 1.327 5.003 1.00 55.23 C ATOM 394 CE2 TYR A 27 18.828 1.311 2.629 1.00 63.10 C ATOM 395 CZ TYR A 27 19.304 1.053 3.898 1.00 72.54 C ATOM 396 OH TYR A 27 20.561 0.517 4.062 1.00 12.11 O ATOM 0 H TYR A 27 14.755 1.512 6.047 1.00 62.43 H new ATOM 0 HA TYR A 27 13.313 2.178 3.611 1.00 44.01 H new ATOM 0 HB2 TYR A 27 15.171 2.814 2.320 1.00 71.42 H new ATOM 0 HB3 TYR A 27 15.367 3.729 3.802 1.00 71.42 H new ATOM 0 HD1 TYR A 27 16.657 2.075 5.701 1.00 13.34 H new ATOM 0 HD2 TYR A 27 17.197 2.049 1.474 1.00 12.51 H new ATOM 0 HE1 TYR A 27 18.901 1.124 5.995 1.00 55.23 H new ATOM 0 HE2 TYR A 27 19.439 1.094 1.765 1.00 63.10 H new ATOM 0 HH TYR A 27 20.977 0.383 3.185 1.00 12.11 H new ATOM 406 N CYS A 28 14.007 -0.063 2.640 1.00 60.23 N ATOM 407 CA CYS A 28 14.158 -1.464 2.264 1.00 13.15 C ATOM 408 C CYS A 28 15.630 -1.823 2.084 1.00 73.33 C ATOM 409 O CYS A 28 16.451 -0.970 1.749 1.00 71.11 O ATOM 410 CB CYS A 28 13.388 -1.753 0.974 1.00 25.41 C ATOM 411 SG CYS A 28 11.619 -2.105 1.226 1.00 12.52 S ATOM 0 H CYS A 28 13.496 0.502 1.962 1.00 60.23 H new ATOM 0 HA CYS A 28 13.749 -2.077 3.067 1.00 13.15 H new ATOM 0 HB2 CYS A 28 13.485 -0.897 0.306 1.00 25.41 H new ATOM 0 HB3 CYS A 28 13.849 -2.604 0.472 1.00 25.41 H new ATOM 416 N ALA A 29 15.955 -3.092 2.308 1.00 60.24 N ATOM 417 CA ALA A 29 17.327 -3.565 2.167 1.00 35.43 C ATOM 418 C ALA A 29 17.378 -4.879 1.395 1.00 33.31 C ATOM 419 O ALA A 29 16.518 -5.744 1.566 1.00 43.05 O ATOM 420 CB ALA A 29 17.971 -3.730 3.536 1.00 54.11 C ATOM 0 H ALA A 29 15.287 -3.811 2.588 1.00 60.24 H new ATOM 0 HA ALA A 29 17.886 -2.820 1.601 1.00 35.43 H new ATOM 0 HB1 ALA A 29 18.995 -4.084 3.416 1.00 54.11 H new ATOM 0 HB2 ALA A 29 17.977 -2.771 4.053 1.00 54.11 H new ATOM 0 HB3 ALA A 29 17.403 -4.454 4.120 1.00 54.11 H new ATOM 426 N TRP A 30 18.389 -5.022 0.546 1.00 11.21 N ATOM 427 CA TRP A 30 18.551 -6.231 -0.253 1.00 71.02 C ATOM 428 C TRP A 30 19.038 -7.391 0.608 1.00 71.43 C ATOM 429 O TRP A 30 19.480 -7.194 1.739 1.00 3.35 O ATOM 430 CB TRP A 30 19.534 -5.982 -1.399 1.00 35.14 C ATOM 431 CG TRP A 30 18.862 -5.631 -2.692 1.00 11.13 C ATOM 432 CD1 TRP A 30 19.154 -4.574 -3.506 1.00 75.11 C ATOM 433 CD2 TRP A 30 17.785 -6.337 -3.317 1.00 52.22 C ATOM 434 NE1 TRP A 30 18.322 -4.581 -4.600 1.00 44.43 N ATOM 435 CE2 TRP A 30 17.474 -5.652 -4.509 1.00 23.34 C ATOM 436 CE3 TRP A 30 17.054 -7.482 -2.988 1.00 51.52 C ATOM 437 CZ2 TRP A 30 16.464 -6.076 -5.368 1.00 43.43 C ATOM 438 CZ3 TRP A 30 16.052 -7.900 -3.842 1.00 74.14 C ATOM 439 CH2 TRP A 30 15.765 -7.199 -5.021 1.00 74.34 C ATOM 0 H TRP A 30 19.109 -4.316 0.393 1.00 11.21 H new ATOM 0 HA TRP A 30 17.579 -6.495 -0.669 1.00 71.02 H new ATOM 0 HB2 TRP A 30 20.211 -5.175 -1.119 1.00 35.14 H new ATOM 0 HB3 TRP A 30 20.144 -6.873 -1.545 1.00 35.14 H new ATOM 0 HD1 TRP A 30 19.925 -3.841 -3.318 1.00 75.11 H new ATOM 0 HE1 TRP A 30 18.334 -3.898 -5.358 1.00 44.43 H new ATOM 0 HE3 TRP A 30 17.269 -8.030 -2.082 1.00 51.52 H new ATOM 0 HZ2 TRP A 30 16.240 -5.537 -6.277 1.00 43.43 H new ATOM 0 HZ3 TRP A 30 15.480 -8.782 -3.597 1.00 74.14 H new ATOM 0 HH2 TRP A 30 14.976 -7.553 -5.668 1.00 74.34 H new ATOM 450 N ASP A 31 18.954 -8.601 0.065 1.00 41.11 N ATOM 451 CA ASP A 31 19.388 -9.793 0.784 1.00 71.33 C ATOM 452 C ASP A 31 18.708 -9.884 2.146 1.00 2.34 C ATOM 453 O ASP A 31 19.283 -10.398 3.105 1.00 34.10 O ATOM 454 CB ASP A 31 20.907 -9.785 0.957 1.00 25.54 C ATOM 455 CG ASP A 31 21.483 -11.182 1.086 1.00 33.23 C ATOM 456 OD1 ASP A 31 21.116 -12.052 0.269 1.00 45.02 O ATOM 457 OD2 ASP A 31 22.298 -11.406 2.005 1.00 4.24 O ATOM 0 H ASP A 31 18.589 -8.782 -0.870 1.00 41.11 H new ATOM 0 HA ASP A 31 19.102 -10.666 0.197 1.00 71.33 H new ATOM 0 HB2 ASP A 31 21.364 -9.284 0.104 1.00 25.54 H new ATOM 0 HB3 ASP A 31 21.166 -9.205 1.843 1.00 25.54 H new ATOM 462 N GLY A 32 17.481 -9.379 2.225 1.00 54.24 N ATOM 463 CA GLY A 32 16.743 -9.411 3.474 1.00 23.42 C ATOM 464 C GLY A 32 17.483 -8.720 4.602 1.00 24.42 C ATOM 465 O GLY A 32 18.150 -7.707 4.389 1.00 23.13 O ATOM 0 H GLY A 32 16.984 -8.948 1.445 1.00 54.24 H new ATOM 0 HA2 GLY A 32 15.774 -8.932 3.332 1.00 23.42 H new ATOM 0 HA3 GLY A 32 16.549 -10.447 3.752 1.00 23.42 H new ATOM 469 N THR A 33 17.366 -9.268 5.808 1.00 13.41 N ATOM 470 CA THR A 33 18.026 -8.696 6.975 1.00 63.13 C ATOM 471 C THR A 33 19.506 -9.060 7.002 1.00 62.40 C ATOM 472 O THR A 33 19.908 -10.107 6.493 1.00 34.45 O ATOM 473 CB THR A 33 17.368 -9.173 8.283 1.00 13.30 C ATOM 474 OG1 THR A 33 17.591 -10.576 8.461 1.00 55.03 O ATOM 475 CG2 THR A 33 15.873 -8.889 8.271 1.00 2.12 C ATOM 0 H THR A 33 16.820 -10.108 6.002 1.00 13.41 H new ATOM 0 HA THR A 33 17.922 -7.614 6.899 1.00 63.13 H new ATOM 0 HB THR A 33 17.819 -8.627 9.111 1.00 13.30 H new ATOM 0 HG1 THR A 33 17.171 -10.871 9.296 1.00 55.03 H new ATOM 0 HG21 THR A 33 15.430 -9.234 9.205 1.00 2.12 H new ATOM 0 HG22 THR A 33 15.707 -7.817 8.165 1.00 2.12 H new ATOM 0 HG23 THR A 33 15.410 -9.412 7.434 1.00 2.12 H new ATOM 483 N PHE A 34 20.314 -8.191 7.599 1.00 1.52 N ATOM 484 CA PHE A 34 21.751 -8.421 7.693 1.00 71.14 C ATOM 485 C PHE A 34 22.127 -8.956 9.071 1.00 25.11 C ATOM 486 O PHE A 34 21.623 -8.485 10.091 1.00 60.45 O ATOM 487 CB PHE A 34 22.516 -7.127 7.409 1.00 41.21 C ATOM 488 CG PHE A 34 22.467 -6.705 5.968 1.00 2.12 C ATOM 489 CD1 PHE A 34 22.964 -7.531 4.973 1.00 25.34 C ATOM 490 CD2 PHE A 34 21.923 -5.482 5.609 1.00 64.34 C ATOM 491 CE1 PHE A 34 22.921 -7.145 3.647 1.00 24.11 C ATOM 492 CE2 PHE A 34 21.877 -5.091 4.284 1.00 42.12 C ATOM 493 CZ PHE A 34 22.376 -5.924 3.302 1.00 71.03 C ATOM 0 H PHE A 34 19.998 -7.320 8.026 1.00 1.52 H new ATOM 0 HA PHE A 34 22.024 -9.167 6.946 1.00 71.14 H new ATOM 0 HB2 PHE A 34 22.105 -6.329 8.027 1.00 41.21 H new ATOM 0 HB3 PHE A 34 23.557 -7.257 7.706 1.00 41.21 H new ATOM 0 HD1 PHE A 34 23.390 -8.488 5.237 1.00 25.34 H new ATOM 0 HD2 PHE A 34 21.531 -4.827 6.373 1.00 64.34 H new ATOM 0 HE1 PHE A 34 23.313 -7.798 2.881 1.00 24.11 H new ATOM 0 HE2 PHE A 34 21.451 -4.135 4.017 1.00 42.12 H new ATOM 0 HZ PHE A 34 22.340 -5.621 2.266 1.00 71.03 H new ATOM 503 N SER A 35 23.017 -9.943 9.093 1.00 22.43 N ATOM 504 CA SER A 35 23.459 -10.546 10.345 1.00 32.34 C ATOM 505 C SER A 35 24.816 -9.992 10.766 1.00 4.23 C ATOM 506 O SER A 35 25.827 -10.233 10.109 1.00 63.04 O ATOM 507 CB SER A 35 23.538 -12.068 10.203 1.00 4.53 C ATOM 508 OG SER A 35 24.324 -12.435 9.083 1.00 43.43 O ATOM 0 H SER A 35 23.446 -10.342 8.258 1.00 22.43 H new ATOM 0 HA SER A 35 22.730 -10.298 11.116 1.00 32.34 H new ATOM 0 HB2 SER A 35 23.965 -12.499 11.108 1.00 4.53 H new ATOM 0 HB3 SER A 35 22.534 -12.479 10.097 1.00 4.53 H new ATOM 0 HG SER A 35 25.083 -11.820 9.000 1.00 43.43 H new TER 514 SER A 35