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+ 132:sc= 0.0298 (180deg=0) 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= -0.124 USER MOD Single : A 12 THR OG1 : rot 180:sc=0.000161 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.0648 (180deg=-0.357) USER MOD Single : A 18 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.018) USER MOD Single : A 20 SER OG : rot -120:sc=-0.00601 USER MOD Single : A 23 SER OG : rot -36:sc= 0.0988 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.043 0.761 -0.042 1.00 1.21 N ATOM 2 CA GLU A 1 2.498 0.259 -1.333 1.00 43.41 C ATOM 3 C GLU A 1 3.927 -0.269 -1.239 1.00 11.43 C ATOM 4 O GLU A 1 4.747 0.258 -0.486 1.00 61.20 O ATOM 5 CB GLU A 1 2.419 1.362 -2.391 1.00 4.54 C ATOM 6 CG GLU A 1 2.738 0.882 -3.796 1.00 74.24 C ATOM 7 CD GLU A 1 2.145 1.777 -4.867 1.00 75.12 C ATOM 8 OE1 GLU A 1 1.519 2.796 -4.509 1.00 52.54 O ATOM 9 OE2 GLU A 1 2.307 1.457 -6.064 1.00 12.14 O ATOM 0 H1 GLU A 1 1.611 1.699 -0.167 1.00 1.21 H new ATOM 0 H2 GLU A 1 1.340 0.106 0.357 1.00 1.21 H new ATOM 0 H3 GLU A 1 2.853 0.837 0.606 1.00 1.21 H new ATOM 0 HA GLU A 1 1.844 -0.563 -1.625 1.00 43.41 H new ATOM 0 HB2 GLU A 1 1.417 1.791 -2.382 1.00 4.54 H new ATOM 0 HB3 GLU A 1 3.111 2.161 -2.123 1.00 4.54 H new ATOM 0 HG2 GLU A 1 3.820 0.837 -3.924 1.00 74.24 H new ATOM 0 HG3 GLU A 1 2.359 -0.132 -3.924 1.00 74.24 H new ATOM 16 N CYS A 2 4.217 -1.313 -2.008 1.00 5.25 N ATOM 17 CA CYS A 2 5.545 -1.914 -2.011 1.00 65.24 C ATOM 18 C CYS A 2 6.536 -1.040 -2.775 1.00 3.14 C ATOM 19 O CYS A 2 6.210 -0.485 -3.824 1.00 62.33 O ATOM 20 CB CYS A 2 5.494 -3.310 -2.635 1.00 62.14 C ATOM 21 SG CYS A 2 4.140 -4.355 -2.010 1.00 34.04 S ATOM 0 H CYS A 2 3.550 -1.760 -2.637 1.00 5.25 H new ATOM 0 HA CYS A 2 5.881 -1.997 -0.978 1.00 65.24 H new ATOM 0 HB2 CYS A 2 5.392 -3.210 -3.716 1.00 62.14 H new ATOM 0 HB3 CYS A 2 6.443 -3.814 -2.450 1.00 62.14 H new ATOM 26 N ARG A 3 7.747 -0.922 -2.240 1.00 22.23 N ATOM 27 CA ARG A 3 8.785 -0.115 -2.869 1.00 64.13 C ATOM 28 C ARG A 3 10.109 -0.873 -2.918 1.00 73.30 C ATOM 29 O ARG A 3 10.236 -1.958 -2.349 1.00 52.20 O ATOM 30 CB ARG A 3 8.967 1.201 -2.112 1.00 3.51 C ATOM 31 CG ARG A 3 7.658 1.899 -1.780 1.00 23.13 C ATOM 32 CD ARG A 3 7.671 3.352 -2.229 1.00 25.41 C ATOM 33 NE ARG A 3 6.444 4.051 -1.857 1.00 62.41 N ATOM 34 CZ ARG A 3 6.097 5.236 -2.345 1.00 3.51 C ATOM 35 NH1 ARG A 3 6.881 5.852 -3.220 1.00 14.02 N ATOM 36 NH2 ARG A 3 4.964 5.809 -1.958 1.00 24.20 N ATOM 0 H ARG A 3 8.033 -1.375 -1.372 1.00 22.23 H new ATOM 0 HA ARG A 3 8.472 0.101 -3.890 1.00 64.13 H new ATOM 0 HB2 ARG A 3 9.510 1.006 -1.187 1.00 3.51 H new ATOM 0 HB3 ARG A 3 9.585 1.871 -2.709 1.00 3.51 H new ATOM 0 HG2 ARG A 3 6.833 1.375 -2.263 1.00 23.13 H new ATOM 0 HG3 ARG A 3 7.481 1.851 -0.706 1.00 23.13 H new ATOM 0 HD2 ARG A 3 8.527 3.861 -1.785 1.00 25.41 H new ATOM 0 HD3 ARG A 3 7.800 3.396 -3.310 1.00 25.41 H new ATOM 0 HE ARG A 3 5.819 3.604 -1.186 1.00 62.41 H new ATOM 0 HH11 ARG A 3 7.753 5.415 -3.519 1.00 14.02 H new ATOM 0 HH12 ARG A 3 6.612 6.762 -3.593 1.00 14.02 H new ATOM 0 HH21 ARG A 3 4.359 5.339 -1.285 1.00 24.20 H new ATOM 0 HH22 ARG A 3 4.699 6.719 -2.334 1.00 24.20 H new ATOM 50 N TYR A 4 11.090 -0.296 -3.601 1.00 45.24 N ATOM 51 CA TYR A 4 12.403 -0.918 -3.727 1.00 61.11 C ATOM 52 C TYR A 4 13.309 -0.517 -2.567 1.00 63.21 C ATOM 53 O TYR A 4 12.883 0.173 -1.640 1.00 41.34 O ATOM 54 CB TYR A 4 13.052 -0.525 -5.055 1.00 40.12 C ATOM 55 CG TYR A 4 12.720 0.882 -5.498 1.00 52.04 C ATOM 56 CD1 TYR A 4 13.436 1.971 -5.017 1.00 61.20 C ATOM 57 CD2 TYR A 4 11.690 1.122 -6.400 1.00 12.33 C ATOM 58 CE1 TYR A 4 13.135 3.258 -5.419 1.00 24.23 C ATOM 59 CE2 TYR A 4 11.383 2.406 -6.808 1.00 70.11 C ATOM 60 CZ TYR A 4 12.108 3.470 -6.314 1.00 42.34 C ATOM 61 OH TYR A 4 11.806 4.751 -6.718 1.00 65.31 O ATOM 0 H TYR A 4 11.002 0.602 -4.076 1.00 45.24 H new ATOM 0 HA TYR A 4 12.268 -1.999 -3.702 1.00 61.11 H new ATOM 0 HB2 TYR A 4 14.134 -0.623 -4.964 1.00 40.12 H new ATOM 0 HB3 TYR A 4 12.733 -1.225 -5.827 1.00 40.12 H new ATOM 0 HD1 TYR A 4 14.242 1.809 -4.317 1.00 61.20 H new ATOM 0 HD2 TYR A 4 11.120 0.291 -6.788 1.00 12.33 H new ATOM 0 HE1 TYR A 4 13.701 4.093 -5.034 1.00 24.23 H new ATOM 0 HE2 TYR A 4 10.580 2.575 -7.510 1.00 70.11 H new ATOM 0 HH TYR A 4 11.058 4.727 -7.351 1.00 65.31 H new ATOM 71 N LEU A 5 14.562 -0.955 -2.625 1.00 42.25 N ATOM 72 CA LEU A 5 15.531 -0.642 -1.581 1.00 24.11 C ATOM 73 C LEU A 5 15.582 0.859 -1.317 1.00 13.34 C ATOM 74 O LEU A 5 15.519 1.301 -0.169 1.00 71.20 O ATOM 75 CB LEU A 5 16.919 -1.149 -1.977 1.00 43.43 C ATOM 76 CG LEU A 5 17.957 -1.210 -0.856 1.00 11.02 C ATOM 77 CD1 LEU A 5 19.066 -2.189 -1.208 1.00 31.22 C ATOM 78 CD2 LEU A 5 18.531 0.173 -0.584 1.00 35.03 C ATOM 0 H LEU A 5 14.931 -1.528 -3.384 1.00 42.25 H new ATOM 0 HA LEU A 5 15.215 -1.143 -0.666 1.00 24.11 H new ATOM 0 HB2 LEU A 5 16.812 -2.148 -2.400 1.00 43.43 H new ATOM 0 HB3 LEU A 5 17.306 -0.507 -2.769 1.00 43.43 H new ATOM 0 HG LEU A 5 17.464 -1.561 0.050 1.00 11.02 H new ATOM 0 HD11 LEU A 5 19.795 -2.219 -0.399 1.00 31.22 H new ATOM 0 HD12 LEU A 5 18.642 -3.183 -1.351 1.00 31.22 H new ATOM 0 HD13 LEU A 5 19.557 -1.868 -2.127 1.00 31.22 H new ATOM 0 HD21 LEU A 5 19.268 0.110 0.217 1.00 35.03 H new ATOM 0 HD22 LEU A 5 19.008 0.553 -1.487 1.00 35.03 H new ATOM 0 HD23 LEU A 5 17.729 0.848 -0.286 1.00 35.03 H new ATOM 90 N PHE A 6 15.693 1.640 -2.386 1.00 65.34 N ATOM 91 CA PHE A 6 15.751 3.092 -2.270 1.00 52.25 C ATOM 92 C PHE A 6 14.360 3.674 -2.036 1.00 1.53 C ATOM 93 O PHE A 6 14.207 4.874 -1.812 1.00 1.50 O ATOM 94 CB PHE A 6 16.365 3.702 -3.532 1.00 70.14 C ATOM 95 CG PHE A 6 17.789 3.287 -3.767 1.00 23.14 C ATOM 96 CD1 PHE A 6 18.779 3.611 -2.852 1.00 75.40 C ATOM 97 CD2 PHE A 6 18.139 2.573 -4.902 1.00 1.43 C ATOM 98 CE1 PHE A 6 20.090 3.230 -3.064 1.00 62.13 C ATOM 99 CE2 PHE A 6 19.449 2.190 -5.119 1.00 71.41 C ATOM 100 CZ PHE A 6 20.426 2.519 -4.200 1.00 11.30 C ATOM 0 H PHE A 6 15.745 1.291 -3.343 1.00 65.34 H new ATOM 0 HA PHE A 6 16.379 3.338 -1.413 1.00 52.25 H new ATOM 0 HB2 PHE A 6 15.764 3.414 -4.394 1.00 70.14 H new ATOM 0 HB3 PHE A 6 16.319 4.789 -3.460 1.00 70.14 H new ATOM 0 HD1 PHE A 6 18.522 4.168 -1.963 1.00 75.40 H new ATOM 0 HD2 PHE A 6 17.380 2.313 -5.625 1.00 1.43 H new ATOM 0 HE1 PHE A 6 20.851 3.488 -2.343 1.00 62.13 H new ATOM 0 HE2 PHE A 6 19.709 1.633 -6.007 1.00 71.41 H new ATOM 0 HZ PHE A 6 21.450 2.221 -4.369 1.00 11.30 H new ATOM 110 N GLY A 7 13.348 2.814 -2.089 1.00 72.13 N ATOM 111 CA GLY A 7 11.983 3.260 -1.882 1.00 13.45 C ATOM 112 C GLY A 7 11.795 3.948 -0.544 1.00 1.50 C ATOM 113 O GLY A 7 11.574 5.157 -0.485 1.00 43.34 O ATOM 0 H GLY A 7 13.449 1.816 -2.272 1.00 72.13 H new ATOM 0 HA2 GLY A 7 11.702 3.945 -2.682 1.00 13.45 H new ATOM 0 HA3 GLY A 7 11.311 2.404 -1.945 1.00 13.45 H new ATOM 117 N GLY A 8 11.881 3.176 0.535 1.00 64.23 N ATOM 118 CA GLY A 8 11.715 3.736 1.863 1.00 21.43 C ATOM 119 C GLY A 8 10.403 3.329 2.504 1.00 71.32 C ATOM 120 O GLY A 8 9.345 3.417 1.880 1.00 50.41 O ATOM 0 H GLY A 8 12.063 2.173 0.513 1.00 64.23 H new ATOM 0 HA2 GLY A 8 12.541 3.412 2.496 1.00 21.43 H new ATOM 0 HA3 GLY A 8 11.765 4.823 1.804 1.00 21.43 H new ATOM 124 N CYS A 9 10.470 2.879 3.753 1.00 41.54 N ATOM 125 CA CYS A 9 9.279 2.455 4.478 1.00 20.12 C ATOM 126 C CYS A 9 9.506 2.528 5.986 1.00 74.45 C ATOM 127 O CYS A 9 10.582 2.910 6.444 1.00 20.12 O ATOM 128 CB CYS A 9 8.893 1.030 4.077 1.00 22.35 C ATOM 129 SG CYS A 9 10.301 -0.123 3.984 1.00 74.21 S ATOM 0 H CYS A 9 11.337 2.799 4.284 1.00 41.54 H new ATOM 0 HA CYS A 9 8.465 3.131 4.218 1.00 20.12 H new ATOM 0 HB2 CYS A 9 8.169 0.645 4.795 1.00 22.35 H new ATOM 0 HB3 CYS A 9 8.396 1.059 3.107 1.00 22.35 H new ATOM 134 N SER A 10 8.483 2.158 6.750 1.00 25.45 N ATOM 135 CA SER A 10 8.569 2.184 8.206 1.00 62.11 C ATOM 136 C SER A 10 8.573 0.769 8.776 1.00 74.44 C ATOM 137 O SER A 10 9.062 0.533 9.880 1.00 3.42 O ATOM 138 CB SER A 10 7.401 2.979 8.792 1.00 1.14 C ATOM 139 OG SER A 10 7.514 3.087 10.201 1.00 73.11 O ATOM 0 H SER A 10 7.586 1.837 6.386 1.00 25.45 H new ATOM 0 HA SER A 10 9.505 2.670 8.482 1.00 62.11 H new ATOM 0 HB2 SER A 10 7.376 3.974 8.349 1.00 1.14 H new ATOM 0 HB3 SER A 10 6.460 2.492 8.536 1.00 1.14 H new ATOM 0 HG SER A 10 6.757 3.601 10.552 1.00 73.11 H new ATOM 145 N SER A 11 8.022 -0.171 8.013 1.00 44.20 N ATOM 146 CA SER A 11 7.958 -1.563 8.442 1.00 12.01 C ATOM 147 C SER A 11 8.424 -2.497 7.329 1.00 12.32 C ATOM 148 O SER A 11 8.483 -2.110 6.161 1.00 4.15 O ATOM 149 CB SER A 11 6.532 -1.924 8.862 1.00 14.42 C ATOM 150 OG SER A 11 6.446 -3.279 9.267 1.00 64.03 O ATOM 0 H SER A 11 7.614 0.007 7.095 1.00 44.20 H new ATOM 0 HA SER A 11 8.623 -1.685 9.297 1.00 12.01 H new ATOM 0 HB2 SER A 11 6.216 -1.276 9.680 1.00 14.42 H new ATOM 0 HB3 SER A 11 5.849 -1.746 8.031 1.00 14.42 H new ATOM 0 HG SER A 11 5.525 -3.483 9.532 1.00 64.03 H new ATOM 156 N THR A 12 8.754 -3.730 7.699 1.00 32.25 N ATOM 157 CA THR A 12 9.216 -4.720 6.735 1.00 52.04 C ATOM 158 C THR A 12 8.077 -5.183 5.834 1.00 53.14 C ATOM 159 O THR A 12 8.304 -5.624 4.707 1.00 33.01 O ATOM 160 CB THR A 12 9.830 -5.946 7.437 1.00 12.53 C ATOM 161 OG1 THR A 12 8.928 -6.442 8.433 1.00 64.11 O ATOM 162 CG2 THR A 12 11.160 -5.589 8.083 1.00 2.21 C ATOM 0 H THR A 12 8.710 -4.067 8.661 1.00 32.25 H new ATOM 0 HA THR A 12 9.982 -4.236 6.129 1.00 52.04 H new ATOM 0 HB THR A 12 10.004 -6.718 6.687 1.00 12.53 H new ATOM 0 HG1 THR A 12 9.324 -7.222 8.874 1.00 64.11 H new ATOM 0 HG21 THR A 12 11.575 -6.470 8.573 1.00 2.21 H new ATOM 0 HG22 THR A 12 11.853 -5.238 7.318 1.00 2.21 H new ATOM 0 HG23 THR A 12 11.006 -4.802 8.822 1.00 2.21 H new ATOM 170 N SER A 13 6.851 -5.079 6.337 1.00 53.14 N ATOM 171 CA SER A 13 5.676 -5.490 5.577 1.00 34.15 C ATOM 172 C SER A 13 5.570 -4.706 4.273 1.00 13.11 C ATOM 173 O SER A 13 4.916 -5.142 3.325 1.00 3.11 O ATOM 174 CB SER A 13 4.408 -5.290 6.411 1.00 42.54 C ATOM 175 OG SER A 13 3.284 -5.876 5.778 1.00 51.21 O ATOM 0 H SER A 13 6.646 -4.714 7.267 1.00 53.14 H new ATOM 0 HA SER A 13 5.781 -6.548 5.336 1.00 34.15 H new ATOM 0 HB2 SER A 13 4.545 -5.732 7.398 1.00 42.54 H new ATOM 0 HB3 SER A 13 4.231 -4.225 6.560 1.00 42.54 H new ATOM 0 HG SER A 13 2.487 -5.736 6.331 1.00 51.21 H new ATOM 181 N ASP A 14 6.217 -3.547 4.233 1.00 10.51 N ATOM 182 CA ASP A 14 6.198 -2.700 3.045 1.00 35.55 C ATOM 183 C ASP A 14 7.040 -3.311 1.930 1.00 50.23 C ATOM 184 O ASP A 14 6.661 -3.272 0.759 1.00 50.43 O ATOM 185 CB ASP A 14 6.712 -1.300 3.382 1.00 22.13 C ATOM 186 CG ASP A 14 5.655 -0.439 4.045 1.00 41.33 C ATOM 187 OD1 ASP A 14 4.817 0.136 3.319 1.00 41.24 O ATOM 188 OD2 ASP A 14 5.665 -0.340 5.289 1.00 3.04 O ATOM 0 H ASP A 14 6.762 -3.172 5.009 1.00 10.51 H new ATOM 0 HA ASP A 14 5.167 -2.625 2.698 1.00 35.55 H new ATOM 0 HB2 ASP A 14 7.576 -1.382 4.042 1.00 22.13 H new ATOM 0 HB3 ASP A 14 7.054 -0.812 2.469 1.00 22.13 H new ATOM 193 N CYS A 15 8.185 -3.874 2.300 1.00 2.33 N ATOM 194 CA CYS A 15 9.083 -4.491 1.332 1.00 70.13 C ATOM 195 C CYS A 15 8.458 -5.749 0.735 1.00 13.21 C ATOM 196 O CYS A 15 8.205 -6.725 1.442 1.00 61.24 O ATOM 197 CB CYS A 15 10.419 -4.837 1.992 1.00 44.43 C ATOM 198 SG CYS A 15 11.305 -3.399 2.675 1.00 51.31 S ATOM 0 H CYS A 15 8.513 -3.916 3.265 1.00 2.33 H new ATOM 0 HA CYS A 15 9.257 -3.776 0.528 1.00 70.13 H new ATOM 0 HB2 CYS A 15 10.241 -5.555 2.793 1.00 44.43 H new ATOM 0 HB3 CYS A 15 11.058 -5.329 1.259 1.00 44.43 H new ATOM 203 N CYS A 16 8.211 -5.718 -0.570 1.00 54.22 N ATOM 204 CA CYS A 16 7.615 -6.854 -1.263 1.00 40.44 C ATOM 205 C CYS A 16 8.540 -7.365 -2.364 1.00 21.10 C ATOM 206 O CYS A 16 8.292 -8.412 -2.962 1.00 63.41 O ATOM 207 CB CYS A 16 6.262 -6.461 -1.861 1.00 22.14 C ATOM 208 SG CYS A 16 5.155 -5.604 -0.695 1.00 22.32 S ATOM 0 H CYS A 16 8.414 -4.918 -1.169 1.00 54.22 H new ATOM 0 HA CYS A 16 7.466 -7.653 -0.537 1.00 40.44 H new ATOM 0 HB2 CYS A 16 6.431 -5.818 -2.724 1.00 22.14 H new ATOM 0 HB3 CYS A 16 5.763 -7.359 -2.226 1.00 22.14 H new ATOM 213 N LYS A 17 9.608 -6.619 -2.626 1.00 13.20 N ATOM 214 CA LYS A 17 10.572 -6.996 -3.653 1.00 11.42 C ATOM 215 C LYS A 17 11.738 -7.770 -3.046 1.00 50.33 C ATOM 216 O LYS A 17 12.887 -7.601 -3.455 1.00 25.22 O ATOM 217 CB LYS A 17 11.093 -5.750 -4.374 1.00 73.41 C ATOM 218 CG LYS A 17 10.141 -5.217 -5.431 1.00 11.13 C ATOM 219 CD LYS A 17 9.160 -4.216 -4.843 1.00 44.44 C ATOM 220 CE LYS A 17 8.244 -3.640 -5.912 1.00 71.33 C ATOM 221 NZ LYS A 17 9.011 -2.977 -7.003 1.00 22.04 N ATOM 0 H LYS A 17 9.828 -5.749 -2.141 1.00 13.20 H new ATOM 0 HA LYS A 17 10.066 -7.640 -4.373 1.00 11.42 H new ATOM 0 HB2 LYS A 17 11.282 -4.967 -3.639 1.00 73.41 H new ATOM 0 HB3 LYS A 17 12.049 -5.985 -4.843 1.00 73.41 H new ATOM 0 HG2 LYS A 17 10.711 -4.743 -6.230 1.00 11.13 H new ATOM 0 HG3 LYS A 17 9.592 -6.045 -5.879 1.00 11.13 H new ATOM 0 HD2 LYS A 17 8.561 -4.701 -4.072 1.00 44.44 H new ATOM 0 HD3 LYS A 17 9.709 -3.408 -4.359 1.00 44.44 H new ATOM 0 HE2 LYS A 17 7.631 -4.437 -6.332 1.00 71.33 H new ATOM 0 HE3 LYS A 17 7.564 -2.920 -5.457 1.00 71.33 H new ATOM 0 HZ1 LYS A 17 8.372 -2.373 -7.559 1.00 22.04 H new ATOM 0 HZ2 LYS A 17 9.768 -2.395 -6.591 1.00 22.04 H new ATOM 0 HZ3 LYS A 17 9.429 -3.700 -7.622 1.00 22.04 H new ATOM 235 N HIS A 18 11.434 -8.620 -2.070 1.00 45.25 N ATOM 236 CA HIS A 18 12.458 -9.422 -1.409 1.00 51.33 C ATOM 237 C HIS A 18 13.459 -8.531 -0.679 1.00 53.14 C ATOM 238 O HIS A 18 14.667 -8.765 -0.731 1.00 50.32 O ATOM 239 CB HIS A 18 13.186 -10.298 -2.429 1.00 23.35 C ATOM 240 CG HIS A 18 12.265 -11.054 -3.336 1.00 12.03 C ATOM 241 ND1 HIS A 18 12.360 -11.011 -4.711 1.00 21.23 N ATOM 242 CD2 HIS A 18 11.226 -11.876 -3.057 1.00 63.44 C ATOM 243 CE1 HIS A 18 11.419 -11.773 -5.239 1.00 21.31 C ATOM 244 NE2 HIS A 18 10.718 -12.310 -4.257 1.00 34.11 N ATOM 0 H HIS A 18 10.488 -8.771 -1.720 1.00 45.25 H new ATOM 0 HA HIS A 18 11.967 -10.062 -0.676 1.00 51.33 H new ATOM 0 HB2 HIS A 18 13.842 -9.670 -3.032 1.00 23.35 H new ATOM 0 HB3 HIS A 18 13.822 -11.006 -1.899 1.00 23.35 H new ATOM 0 HD2 HIS A 18 10.864 -12.141 -2.074 1.00 63.44 H new ATOM 0 HE1 HIS A 18 11.251 -11.930 -6.294 1.00 21.31 H new ATOM 0 HE2 HIS A 18 9.927 -12.944 -4.371 1.00 34.11 H new ATOM 252 N LEU A 19 12.949 -7.509 -0.001 1.00 34.22 N ATOM 253 CA LEU A 19 13.798 -6.582 0.739 1.00 32.25 C ATOM 254 C LEU A 19 13.390 -6.525 2.208 1.00 11.51 C ATOM 255 O LEU A 19 12.301 -6.963 2.578 1.00 53.21 O ATOM 256 CB LEU A 19 13.721 -5.185 0.122 1.00 51.03 C ATOM 257 CG LEU A 19 14.081 -5.086 -1.361 1.00 5.21 C ATOM 258 CD1 LEU A 19 13.148 -4.120 -2.074 1.00 33.11 C ATOM 259 CD2 LEU A 19 15.530 -4.652 -1.530 1.00 23.23 C ATOM 0 H LEU A 19 11.952 -7.301 0.052 1.00 34.22 H new ATOM 0 HA LEU A 19 14.825 -6.942 0.680 1.00 32.25 H new ATOM 0 HB2 LEU A 19 12.708 -4.806 0.256 1.00 51.03 H new ATOM 0 HB3 LEU A 19 14.384 -4.525 0.681 1.00 51.03 H new ATOM 0 HG LEU A 19 13.962 -6.072 -1.810 1.00 5.21 H new ATOM 0 HD11 LEU A 19 13.420 -4.063 -3.128 1.00 33.11 H new ATOM 0 HD12 LEU A 19 12.121 -4.472 -1.983 1.00 33.11 H new ATOM 0 HD13 LEU A 19 13.234 -3.131 -1.623 1.00 33.11 H new ATOM 0 HD21 LEU A 19 15.769 -4.587 -2.592 1.00 23.23 H new ATOM 0 HD22 LEU A 19 15.674 -3.677 -1.065 1.00 23.23 H new ATOM 0 HD23 LEU A 19 16.186 -5.381 -1.055 1.00 23.23 H new ATOM 271 N SER A 20 14.271 -5.979 3.041 1.00 70.14 N ATOM 272 CA SER A 20 14.003 -5.865 4.470 1.00 64.15 C ATOM 273 C SER A 20 14.064 -4.408 4.919 1.00 24.42 C ATOM 274 O SER A 20 15.101 -3.754 4.805 1.00 23.00 O ATOM 275 CB SER A 20 15.009 -6.699 5.266 1.00 34.12 C ATOM 276 OG SER A 20 14.596 -8.052 5.350 1.00 72.22 O ATOM 0 H SER A 20 15.176 -5.609 2.751 1.00 70.14 H new ATOM 0 HA SER A 20 12.998 -6.243 4.659 1.00 64.15 H new ATOM 0 HB2 SER A 20 15.989 -6.643 4.791 1.00 34.12 H new ATOM 0 HB3 SER A 20 15.117 -6.285 6.269 1.00 34.12 H new ATOM 0 HG SER A 20 14.482 -8.301 6.291 1.00 72.22 H new ATOM 282 N CYS A 21 12.946 -3.907 5.431 1.00 55.50 N ATOM 283 CA CYS A 21 12.869 -2.528 5.898 1.00 10.40 C ATOM 284 C CYS A 21 13.588 -2.365 7.234 1.00 20.22 C ATOM 285 O CYS A 21 13.080 -2.776 8.278 1.00 43.41 O ATOM 286 CB CYS A 21 11.408 -2.094 6.037 1.00 62.44 C ATOM 287 SG CYS A 21 11.131 -0.315 5.764 1.00 44.33 S ATOM 0 H CYS A 21 12.080 -4.436 5.533 1.00 55.50 H new ATOM 0 HA CYS A 21 13.361 -1.894 5.160 1.00 10.40 H new ATOM 0 HB2 CYS A 21 10.804 -2.658 5.327 1.00 62.44 H new ATOM 0 HB3 CYS A 21 11.056 -2.357 7.034 1.00 62.44 H new ATOM 292 N ARG A 22 14.772 -1.764 7.193 1.00 5.21 N ATOM 293 CA ARG A 22 15.562 -1.548 8.400 1.00 51.24 C ATOM 294 C ARG A 22 14.957 -0.437 9.253 1.00 4.31 C ATOM 295 O ARG A 22 14.605 0.628 8.745 1.00 24.04 O ATOM 296 CB ARG A 22 17.005 -1.197 8.034 1.00 3.22 C ATOM 297 CG ARG A 22 17.824 -2.391 7.572 1.00 2.00 C ATOM 298 CD ARG A 22 18.705 -2.929 8.689 1.00 12.52 C ATOM 299 NE ARG A 22 17.920 -3.380 9.836 1.00 43.35 N ATOM 300 CZ ARG A 22 17.322 -4.564 9.896 1.00 53.10 C ATOM 301 NH1 ARG A 22 17.418 -5.412 8.881 1.00 12.31 N ATOM 302 NH2 ARG A 22 16.625 -4.902 10.974 1.00 64.44 N ATOM 0 H ARG A 22 15.206 -1.418 6.337 1.00 5.21 H new ATOM 0 HA ARG A 22 15.556 -2.471 8.979 1.00 51.24 H new ATOM 0 HB2 ARG A 22 16.998 -0.445 7.245 1.00 3.22 H new ATOM 0 HB3 ARG A 22 17.491 -0.747 8.899 1.00 3.22 H new ATOM 0 HG2 ARG A 22 17.156 -3.178 7.223 1.00 2.00 H new ATOM 0 HG3 ARG A 22 18.445 -2.101 6.725 1.00 2.00 H new ATOM 0 HD2 ARG A 22 19.304 -3.758 8.311 1.00 12.52 H new ATOM 0 HD3 ARG A 22 19.400 -2.153 9.008 1.00 12.52 H new ATOM 0 HE ARG A 22 17.826 -2.751 10.634 1.00 43.35 H new ATOM 0 HH11 ARG A 22 17.952 -5.156 8.051 1.00 12.31 H new ATOM 0 HH12 ARG A 22 16.957 -6.321 8.930 1.00 12.31 H new ATOM 0 HH21 ARG A 22 16.549 -4.252 11.756 1.00 64.44 H new ATOM 0 HH22 ARG A 22 16.166 -5.812 11.020 1.00 64.44 H new ATOM 316 N SER A 23 14.840 -0.693 10.552 1.00 12.11 N ATOM 317 CA SER A 23 14.274 0.284 11.476 1.00 71.54 C ATOM 318 C SER A 23 15.281 1.387 11.784 1.00 25.22 C ATOM 319 O SER A 23 14.961 2.363 12.462 1.00 2.22 O ATOM 320 CB SER A 23 13.838 -0.402 12.772 1.00 62.10 C ATOM 321 OG SER A 23 12.965 0.427 13.519 1.00 4.51 O ATOM 0 H SER A 23 15.129 -1.568 10.989 1.00 12.11 H new ATOM 0 HA SER A 23 13.402 0.735 11.001 1.00 71.54 H new ATOM 0 HB2 SER A 23 13.340 -1.343 12.539 1.00 62.10 H new ATOM 0 HB3 SER A 23 14.715 -0.645 13.371 1.00 62.10 H new ATOM 0 HG SER A 23 13.243 1.362 13.427 1.00 4.51 H new ATOM 327 N ASP A 24 16.500 1.223 11.282 1.00 43.52 N ATOM 328 CA ASP A 24 17.556 2.205 11.502 1.00 50.10 C ATOM 329 C ASP A 24 17.394 3.397 10.564 1.00 15.43 C ATOM 330 O ASP A 24 17.251 4.536 11.011 1.00 65.31 O ATOM 331 CB ASP A 24 18.929 1.563 11.298 1.00 42.41 C ATOM 332 CG ASP A 24 19.261 0.550 12.376 1.00 75.24 C ATOM 333 OD1 ASP A 24 18.341 0.157 13.124 1.00 71.10 O ATOM 334 OD2 ASP A 24 20.439 0.149 12.470 1.00 22.21 O ATOM 0 H ASP A 24 16.782 0.420 10.720 1.00 43.52 H new ATOM 0 HA ASP A 24 17.479 2.561 12.529 1.00 50.10 H new ATOM 0 HB2 ASP A 24 18.957 1.075 10.324 1.00 42.41 H new ATOM 0 HB3 ASP A 24 19.692 2.341 11.287 1.00 42.41 H new ATOM 339 N TRP A 25 17.417 3.128 9.264 1.00 13.11 N ATOM 340 CA TRP A 25 17.273 4.179 8.263 1.00 1.43 C ATOM 341 C TRP A 25 15.840 4.249 7.748 1.00 34.35 C ATOM 342 O TRP A 25 15.470 5.181 7.034 1.00 61.20 O ATOM 343 CB TRP A 25 18.235 3.938 7.099 1.00 42.30 C ATOM 344 CG TRP A 25 19.521 4.699 7.223 1.00 33.25 C ATOM 345 CD1 TRP A 25 20.439 4.597 8.229 1.00 10.22 C ATOM 346 CD2 TRP A 25 20.029 5.678 6.311 1.00 13.52 C ATOM 347 NE1 TRP A 25 21.487 5.455 7.997 1.00 23.32 N ATOM 348 CE2 TRP A 25 21.260 6.129 6.827 1.00 70.35 C ATOM 349 CE3 TRP A 25 19.564 6.218 5.108 1.00 25.45 C ATOM 350 CZ2 TRP A 25 22.029 7.092 6.180 1.00 3.41 C ATOM 351 CZ3 TRP A 25 20.329 7.174 4.468 1.00 1.23 C ATOM 352 CH2 TRP A 25 21.551 7.603 5.004 1.00 14.23 C ATOM 0 H TRP A 25 17.534 2.191 8.878 1.00 13.11 H new ATOM 0 HA TRP A 25 17.516 5.131 8.735 1.00 1.43 H new ATOM 0 HB2 TRP A 25 18.456 2.873 7.035 1.00 42.30 H new ATOM 0 HB3 TRP A 25 17.744 4.218 6.167 1.00 42.30 H new ATOM 0 HD1 TRP A 25 20.354 3.939 9.081 1.00 10.22 H new ATOM 0 HE1 TRP A 25 22.302 5.571 8.599 1.00 23.32 H new ATOM 0 HE3 TRP A 25 18.624 5.894 4.687 1.00 25.45 H new ATOM 0 HZ2 TRP A 25 22.970 7.424 6.592 1.00 3.41 H new ATOM 0 HZ3 TRP A 25 19.979 7.598 3.538 1.00 1.23 H new ATOM 0 HH2 TRP A 25 22.126 8.351 4.479 1.00 14.23 H new ATOM 363 N LYS A 26 15.035 3.257 8.116 1.00 61.05 N ATOM 364 CA LYS A 26 13.641 3.206 7.692 1.00 32.32 C ATOM 365 C LYS A 26 13.537 3.064 6.177 1.00 0.30 C ATOM 366 O LYS A 26 12.827 3.826 5.520 1.00 71.10 O ATOM 367 CB LYS A 26 12.901 4.465 8.149 1.00 31.14 C ATOM 368 CG LYS A 26 13.180 4.844 9.594 1.00 72.34 C ATOM 369 CD LYS A 26 12.331 6.024 10.034 1.00 13.25 C ATOM 370 CE LYS A 26 12.998 7.348 9.695 1.00 51.20 C ATOM 371 NZ LYS A 26 13.933 7.789 10.767 1.00 51.11 N ATOM 0 H LYS A 26 15.325 2.478 8.707 1.00 61.05 H new ATOM 0 HA LYS A 26 13.179 2.333 8.153 1.00 32.32 H new ATOM 0 HB2 LYS A 26 13.183 5.297 7.503 1.00 31.14 H new ATOM 0 HB3 LYS A 26 11.829 4.312 8.023 1.00 31.14 H new ATOM 0 HG2 LYS A 26 12.980 3.989 10.240 1.00 72.34 H new ATOM 0 HG3 LYS A 26 14.235 5.091 9.709 1.00 72.34 H new ATOM 0 HD2 LYS A 26 11.356 5.972 9.550 1.00 13.25 H new ATOM 0 HD3 LYS A 26 12.157 5.968 11.109 1.00 13.25 H new ATOM 0 HE2 LYS A 26 13.543 7.250 8.756 1.00 51.20 H new ATOM 0 HE3 LYS A 26 12.234 8.111 9.543 1.00 51.20 H new ATOM 0 HZ1 LYS A 26 14.367 8.695 10.498 1.00 51.11 H new ATOM 0 HZ2 LYS A 26 13.409 7.907 11.658 1.00 51.11 H new ATOM 0 HZ3 LYS A 26 14.677 7.073 10.895 1.00 51.11 H new ATOM 385 N TYR A 27 14.248 2.085 5.629 1.00 52.11 N ATOM 386 CA TYR A 27 14.236 1.845 4.191 1.00 61.22 C ATOM 387 C TYR A 27 14.515 0.377 3.881 1.00 1.15 C ATOM 388 O TYR A 27 15.222 -0.303 4.626 1.00 62.25 O ATOM 389 CB TYR A 27 15.272 2.730 3.496 1.00 23.22 C ATOM 390 CG TYR A 27 16.684 2.196 3.588 1.00 31.21 C ATOM 391 CD1 TYR A 27 17.263 1.915 4.819 1.00 11.25 C ATOM 392 CD2 TYR A 27 17.438 1.971 2.443 1.00 22.11 C ATOM 393 CE1 TYR A 27 18.552 1.428 4.908 1.00 65.00 C ATOM 394 CE2 TYR A 27 18.728 1.482 2.522 1.00 41.40 C ATOM 395 CZ TYR A 27 19.281 1.213 3.757 1.00 51.04 C ATOM 396 OH TYR A 27 20.565 0.726 3.840 1.00 3.45 O ATOM 0 H TYR A 27 14.840 1.445 6.159 1.00 52.11 H new ATOM 0 HA TYR A 27 13.244 2.095 3.815 1.00 61.22 H new ATOM 0 HB2 TYR A 27 15.001 2.837 2.446 1.00 23.22 H new ATOM 0 HB3 TYR A 27 15.240 3.727 3.936 1.00 23.22 H new ATOM 0 HD1 TYR A 27 16.695 2.080 5.722 1.00 11.25 H new ATOM 0 HD2 TYR A 27 17.009 2.182 1.475 1.00 22.11 H new ATOM 0 HE1 TYR A 27 18.987 1.217 5.874 1.00 65.00 H new ATOM 0 HE2 TYR A 27 19.300 1.311 1.622 1.00 41.40 H new ATOM 0 HH TYR A 27 20.938 0.631 2.939 1.00 3.45 H new ATOM 406 N CYS A 28 13.955 -0.105 2.777 1.00 13.22 N ATOM 407 CA CYS A 28 14.142 -1.491 2.367 1.00 75.14 C ATOM 408 C CYS A 28 15.624 -1.814 2.199 1.00 54.33 C ATOM 409 O CYS A 28 16.445 -0.919 2.001 1.00 63.44 O ATOM 410 CB CYS A 28 13.398 -1.762 1.057 1.00 11.22 C ATOM 411 SG CYS A 28 11.613 -2.062 1.264 1.00 10.41 S ATOM 0 H CYS A 28 13.367 0.444 2.150 1.00 13.22 H new ATOM 0 HA CYS A 28 13.735 -2.133 3.148 1.00 75.14 H new ATOM 0 HB2 CYS A 28 13.538 -0.912 0.390 1.00 11.22 H new ATOM 0 HB3 CYS A 28 13.847 -2.627 0.569 1.00 11.22 H new ATOM 416 N ALA A 29 15.957 -3.098 2.279 1.00 12.32 N ATOM 417 CA ALA A 29 17.338 -3.539 2.134 1.00 44.11 C ATOM 418 C ALA A 29 17.416 -4.858 1.372 1.00 3.40 C ATOM 419 O ALA A 29 16.566 -5.732 1.537 1.00 14.24 O ATOM 420 CB ALA A 29 17.995 -3.677 3.500 1.00 52.44 C ATOM 0 H ALA A 29 15.289 -3.851 2.443 1.00 12.32 H new ATOM 0 HA ALA A 29 17.875 -2.785 1.559 1.00 44.11 H new ATOM 0 HB1 ALA A 29 19.026 -4.007 3.376 1.00 52.44 H new ATOM 0 HB2 ALA A 29 17.981 -2.713 4.009 1.00 52.44 H new ATOM 0 HB3 ALA A 29 17.449 -4.409 4.094 1.00 52.44 H new ATOM 426 N TRP A 30 18.440 -4.993 0.538 1.00 65.44 N ATOM 427 CA TRP A 30 18.628 -6.206 -0.251 1.00 23.25 C ATOM 428 C TRP A 30 19.161 -7.342 0.616 1.00 3.43 C ATOM 429 O TRP A 30 19.612 -7.118 1.740 1.00 34.11 O ATOM 430 CB TRP A 30 19.588 -5.941 -1.412 1.00 12.12 C ATOM 431 CG TRP A 30 18.889 -5.623 -2.699 1.00 70.41 C ATOM 432 CD1 TRP A 30 19.138 -4.567 -3.528 1.00 11.12 C ATOM 433 CD2 TRP A 30 17.825 -6.368 -3.303 1.00 45.20 C ATOM 434 NE1 TRP A 30 18.293 -4.610 -4.611 1.00 1.43 N ATOM 435 CE2 TRP A 30 17.479 -5.705 -4.497 1.00 31.31 C ATOM 436 CE3 TRP A 30 17.134 -7.530 -2.953 1.00 32.41 C ATOM 437 CZ2 TRP A 30 16.471 -6.168 -5.339 1.00 11.43 C ATOM 438 CZ3 TRP A 30 16.133 -7.988 -3.789 1.00 44.23 C ATOM 439 CH2 TRP A 30 15.810 -7.308 -4.971 1.00 60.12 C ATOM 0 H TRP A 30 19.153 -4.279 0.390 1.00 65.44 H new ATOM 0 HA TRP A 30 17.659 -6.503 -0.651 1.00 23.25 H new ATOM 0 HB2 TRP A 30 20.245 -5.112 -1.149 1.00 12.12 H new ATOM 0 HB3 TRP A 30 20.222 -6.816 -1.557 1.00 12.12 H new ATOM 0 HD1 TRP A 30 19.889 -3.809 -3.358 1.00 11.12 H new ATOM 0 HE1 TRP A 30 18.275 -3.935 -5.376 1.00 1.43 H new ATOM 0 HE3 TRP A 30 17.377 -8.062 -2.045 1.00 32.41 H new ATOM 0 HZ2 TRP A 30 16.220 -5.646 -6.250 1.00 11.43 H new ATOM 0 HZ3 TRP A 30 15.591 -8.885 -3.527 1.00 44.23 H new ATOM 0 HH2 TRP A 30 15.024 -7.691 -5.604 1.00 60.12 H new ATOM 450 N ASP A 31 19.108 -8.559 0.088 1.00 74.15 N ATOM 451 CA ASP A 31 19.587 -9.730 0.813 1.00 14.33 C ATOM 452 C ASP A 31 18.911 -9.838 2.177 1.00 52.03 C ATOM 453 O ASP A 31 19.484 -10.375 3.124 1.00 55.21 O ATOM 454 CB ASP A 31 21.105 -9.663 0.987 1.00 52.22 C ATOM 455 CG ASP A 31 21.693 -10.980 1.452 1.00 60.42 C ATOM 456 OD1 ASP A 31 21.099 -12.035 1.147 1.00 71.40 O ATOM 457 OD2 ASP A 31 22.747 -10.956 2.121 1.00 22.54 O ATOM 0 H ASP A 31 18.738 -8.761 -0.841 1.00 74.15 H new ATOM 0 HA ASP A 31 19.335 -10.616 0.230 1.00 14.33 H new ATOM 0 HB2 ASP A 31 21.564 -9.378 0.040 1.00 52.22 H new ATOM 0 HB3 ASP A 31 21.351 -8.884 1.708 1.00 52.22 H new ATOM 462 N GLY A 32 17.688 -9.323 2.268 1.00 4.23 N ATOM 463 CA GLY A 32 16.955 -9.371 3.520 1.00 41.42 C ATOM 464 C GLY A 32 17.694 -8.684 4.651 1.00 11.32 C ATOM 465 O GLY A 32 18.246 -7.597 4.474 1.00 72.21 O ATOM 0 H GLY A 32 17.192 -8.874 1.498 1.00 4.23 H new ATOM 0 HA2 GLY A 32 15.982 -8.899 3.386 1.00 41.42 H new ATOM 0 HA3 GLY A 32 16.770 -10.411 3.790 1.00 41.42 H new ATOM 469 N THR A 33 17.704 -9.317 5.820 1.00 21.20 N ATOM 470 CA THR A 33 18.378 -8.759 6.986 1.00 72.32 C ATOM 471 C THR A 33 19.876 -9.034 6.938 1.00 5.34 C ATOM 472 O THR A 33 20.342 -9.863 6.156 1.00 54.31 O ATOM 473 CB THR A 33 17.803 -9.333 8.295 1.00 64.33 C ATOM 474 OG1 THR A 33 18.020 -10.748 8.346 1.00 0.20 O ATOM 475 CG2 THR A 33 16.315 -9.039 8.408 1.00 42.43 C ATOM 0 H THR A 33 17.253 -10.217 5.984 1.00 21.20 H new ATOM 0 HA THR A 33 18.208 -7.682 6.965 1.00 72.32 H new ATOM 0 HB THR A 33 18.315 -8.856 9.131 1.00 64.33 H new ATOM 0 HG1 THR A 33 17.653 -11.105 9.182 1.00 0.20 H new ATOM 0 HG21 THR A 33 15.932 -9.454 9.340 1.00 42.43 H new ATOM 0 HG22 THR A 33 16.155 -7.961 8.398 1.00 42.43 H new ATOM 0 HG23 THR A 33 15.790 -9.491 7.567 1.00 42.43 H new ATOM 483 N PHE A 34 20.628 -8.333 7.781 1.00 65.20 N ATOM 484 CA PHE A 34 22.076 -8.502 7.835 1.00 50.42 C ATOM 485 C PHE A 34 22.525 -8.905 9.236 1.00 32.03 C ATOM 486 O PHE A 34 21.819 -8.671 10.217 1.00 2.33 O ATOM 487 CB PHE A 34 22.777 -7.208 7.415 1.00 1.01 C ATOM 488 CG PHE A 34 22.502 -6.811 5.993 1.00 60.32 C ATOM 489 CD1 PHE A 34 23.050 -7.528 4.941 1.00 24.14 C ATOM 490 CD2 PHE A 34 21.695 -5.722 5.707 1.00 32.12 C ATOM 491 CE1 PHE A 34 22.799 -7.165 3.632 1.00 44.42 C ATOM 492 CE2 PHE A 34 21.440 -5.354 4.399 1.00 31.15 C ATOM 493 CZ PHE A 34 21.992 -6.077 3.360 1.00 22.15 C ATOM 0 H PHE A 34 20.259 -7.643 8.435 1.00 65.20 H new ATOM 0 HA PHE A 34 22.350 -9.298 7.142 1.00 50.42 H new ATOM 0 HB2 PHE A 34 22.460 -6.402 8.077 1.00 1.01 H new ATOM 0 HB3 PHE A 34 23.852 -7.327 7.549 1.00 1.01 H new ATOM 0 HD1 PHE A 34 23.680 -8.380 5.147 1.00 24.14 H new ATOM 0 HD2 PHE A 34 21.260 -5.154 6.516 1.00 32.12 H new ATOM 0 HE1 PHE A 34 23.233 -7.731 2.822 1.00 44.42 H new ATOM 0 HE2 PHE A 34 20.810 -4.502 4.190 1.00 31.15 H new ATOM 0 HZ PHE A 34 21.793 -5.793 2.337 1.00 22.15 H new ATOM 503 N SER A 35 23.703 -9.514 9.321 1.00 5.44 N ATOM 504 CA SER A 35 24.246 -9.954 10.601 1.00 34.24 C ATOM 505 C SER A 35 24.572 -8.760 11.493 1.00 32.02 C ATOM 506 O SER A 35 25.737 -8.423 11.694 1.00 45.24 O ATOM 507 CB SER A 35 25.501 -10.800 10.383 1.00 23.43 C ATOM 508 OG SER A 35 25.834 -11.530 11.552 1.00 73.44 O ATOM 0 H SER A 35 24.300 -9.714 8.519 1.00 5.44 H new ATOM 0 HA SER A 35 23.490 -10.561 11.099 1.00 34.24 H new ATOM 0 HB2 SER A 35 25.339 -11.489 9.554 1.00 23.43 H new ATOM 0 HB3 SER A 35 26.334 -10.155 10.104 1.00 23.43 H new ATOM 0 HG SER A 35 26.639 -12.064 11.386 1.00 73.44 H new TER 514 SER A 35