USER MOD reduce.3.24.130724 H: found=0, std=0, add=165, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 166 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PHE A 2 0.800 -0.704 -1.001 1.00 72.24 N ATOM 9 CA PHE A 2 0.235 -1.753 -1.842 1.00 64.34 C ATOM 10 C PHE A 2 0.864 -1.733 -3.233 1.00 21.14 C ATOM 11 O PHE A 2 0.718 -2.680 -4.006 1.00 42.11 O ATOM 12 CB PHE A 2 -1.281 -1.586 -1.954 1.00 35.11 C ATOM 13 CG PHE A 2 -2.057 -2.671 -1.262 1.00 45.11 C ATOM 14 CD1 PHE A 2 -2.403 -2.549 0.074 1.00 54.42 C ATOM 15 CD2 PHE A 2 -2.439 -3.813 -1.948 1.00 3.42 C ATOM 16 CE1 PHE A 2 -3.116 -3.546 0.713 1.00 42.32 C ATOM 17 CE2 PHE A 2 -3.152 -4.813 -1.314 1.00 43.01 C ATOM 18 CZ PHE A 2 -3.492 -4.679 0.018 1.00 45.33 C ATOM 0 HA PHE A 2 0.454 -2.714 -1.377 1.00 64.34 H new ATOM 0 HB2 PHE A 2 -1.564 -0.622 -1.532 1.00 35.11 H new ATOM 0 HB3 PHE A 2 -1.559 -1.567 -3.008 1.00 35.11 H new ATOM 0 HD1 PHE A 2 -2.112 -1.665 0.622 1.00 54.42 H new ATOM 0 HD2 PHE A 2 -2.177 -3.923 -2.990 1.00 3.42 H new ATOM 0 HE1 PHE A 2 -3.379 -3.439 1.755 1.00 42.32 H new ATOM 0 HE2 PHE A 2 -3.443 -5.698 -1.860 1.00 43.01 H new ATOM 0 HZ PHE A 2 -4.051 -5.458 0.515 1.00 45.33 H new ATOM 28 N PHE A 3 1.564 -0.647 -3.543 1.00 55.33 N ATOM 29 CA PHE A 3 2.214 -0.501 -4.841 1.00 33.25 C ATOM 30 C PHE A 3 3.726 -0.660 -4.712 1.00 12.02 C ATOM 31 O PHE A 3 4.429 -0.833 -5.707 1.00 23.34 O ATOM 32 CB PHE A 3 1.883 0.863 -5.450 1.00 72.44 C ATOM 33 CG PHE A 3 0.419 1.057 -5.726 1.00 62.42 C ATOM 34 CD1 PHE A 3 -0.428 1.536 -4.740 1.00 24.23 C ATOM 35 CD2 PHE A 3 -0.110 0.761 -6.972 1.00 62.41 C ATOM 36 CE1 PHE A 3 -1.775 1.714 -4.991 1.00 1.52 C ATOM 37 CE2 PHE A 3 -1.456 0.938 -7.229 1.00 73.32 C ATOM 38 CZ PHE A 3 -2.290 1.416 -6.237 1.00 44.33 C ATOM 0 H PHE A 3 1.696 0.145 -2.914 1.00 55.33 H new ATOM 0 HA PHE A 3 1.838 -1.285 -5.498 1.00 33.25 H new ATOM 0 HB2 PHE A 3 2.224 1.647 -4.773 1.00 72.44 H new ATOM 0 HB3 PHE A 3 2.439 0.981 -6.380 1.00 72.44 H new ATOM 0 HD1 PHE A 3 -0.031 1.773 -3.764 1.00 24.23 H new ATOM 0 HD2 PHE A 3 0.537 0.388 -7.752 1.00 62.41 H new ATOM 0 HE1 PHE A 3 -2.425 2.086 -4.213 1.00 1.52 H new ATOM 0 HE2 PHE A 3 -1.856 0.703 -8.204 1.00 73.32 H new ATOM 0 HZ PHE A 3 -3.342 1.556 -6.435 1.00 44.33 H new ATOM 48 N ALA A 4 4.218 -0.599 -3.479 1.00 44.30 N ATOM 49 CA ALA A 4 5.646 -0.737 -3.219 1.00 50.10 C ATOM 50 C ALA A 4 5.925 -1.928 -2.308 1.00 43.42 C ATOM 51 O ALA A 4 7.002 -2.033 -1.720 1.00 24.12 O ATOM 52 CB ALA A 4 6.197 0.541 -2.604 1.00 54.20 C ATOM 0 H ALA A 4 3.649 -0.455 -2.645 1.00 44.30 H new ATOM 0 HA ALA A 4 6.148 -0.915 -4.170 1.00 50.10 H new ATOM 0 HB1 ALA A 4 7.264 0.423 -2.415 1.00 54.20 H new ATOM 0 HB2 ALA A 4 6.039 1.373 -3.291 1.00 54.20 H new ATOM 0 HB3 ALA A 4 5.683 0.744 -1.665 1.00 54.20 H new ATOM 58 N LEU A 5 4.949 -2.822 -2.195 1.00 44.32 N ATOM 59 CA LEU A 5 5.090 -4.006 -1.355 1.00 1.34 C ATOM 60 C LEU A 5 5.935 -5.069 -2.049 1.00 20.12 C ATOM 61 O LEU A 5 6.412 -6.009 -1.413 1.00 20.42 O ATOM 62 CB LEU A 5 3.714 -4.577 -1.010 1.00 14.24 C ATOM 63 CG LEU A 5 3.702 -5.763 -0.044 1.00 53.42 C ATOM 64 CD1 LEU A 5 3.930 -7.065 -0.796 1.00 14.05 C ATOM 65 CD2 LEU A 5 4.754 -5.579 1.039 1.00 0.45 C ATOM 0 H LEU A 5 4.052 -2.750 -2.674 1.00 44.32 H new ATOM 0 HA LEU A 5 5.595 -3.711 -0.435 1.00 1.34 H new ATOM 0 HB2 LEU A 5 3.109 -3.779 -0.581 1.00 14.24 H new ATOM 0 HB3 LEU A 5 3.227 -4.883 -1.936 1.00 14.24 H new ATOM 0 HG LEU A 5 2.723 -5.809 0.433 1.00 53.42 H new ATOM 0 HD11 LEU A 5 3.918 -7.898 -0.093 1.00 14.05 H new ATOM 0 HD12 LEU A 5 3.140 -7.202 -1.534 1.00 14.05 H new ATOM 0 HD13 LEU A 5 4.896 -7.029 -1.301 1.00 14.05 H new ATOM 0 HD21 LEU A 5 4.731 -6.432 1.717 1.00 0.45 H new ATOM 0 HD22 LEU A 5 5.740 -5.507 0.580 1.00 0.45 H new ATOM 0 HD23 LEU A 5 4.546 -4.666 1.597 1.00 0.45 H new ATOM 77 N ILE A 6 6.118 -4.912 -3.356 1.00 35.24 N ATOM 78 CA ILE A 6 6.908 -5.857 -4.135 1.00 32.02 C ATOM 79 C ILE A 6 8.377 -5.809 -3.730 1.00 64.54 C ATOM 80 O ILE A 6 8.987 -6.824 -3.392 1.00 61.23 O ATOM 81 CB ILE A 6 6.793 -5.576 -5.645 1.00 22.12 C ATOM 82 CG1 ILE A 6 5.593 -6.320 -6.234 1.00 42.14 C ATOM 83 CG2 ILE A 6 8.075 -5.979 -6.357 1.00 65.24 C ATOM 84 CD1 ILE A 6 4.371 -6.296 -5.344 1.00 34.30 C ATOM 0 H ILE A 6 5.730 -4.139 -3.897 1.00 35.24 H new ATOM 0 HA ILE A 6 6.509 -6.850 -3.928 1.00 32.02 H new ATOM 0 HB ILE A 6 6.640 -4.507 -5.791 1.00 22.12 H new ATOM 0 HG12 ILE A 6 5.339 -5.878 -7.198 1.00 42.14 H new ATOM 0 HG13 ILE A 6 5.875 -7.356 -6.422 1.00 42.14 H new ATOM 0 HG21 ILE A 6 7.979 -5.775 -7.423 1.00 65.24 H new ATOM 0 HG22 ILE A 6 8.911 -5.408 -5.952 1.00 65.24 H new ATOM 0 HG23 ILE A 6 8.256 -7.043 -6.207 1.00 65.24 H new ATOM 0 HD11 ILE A 6 3.560 -6.842 -5.825 1.00 34.30 H new ATOM 0 HD12 ILE A 6 4.607 -6.764 -4.389 1.00 34.30 H new ATOM 0 HD13 ILE A 6 4.064 -5.264 -5.176 1.00 34.30 H new ATOM 96 N PRO A 7 8.961 -4.602 -3.763 1.00 63.45 N ATOM 97 CA PRO A 7 10.366 -4.392 -3.401 1.00 62.51 C ATOM 98 C PRO A 7 10.614 -4.580 -1.908 1.00 40.03 C ATOM 99 O PRO A 7 11.724 -4.909 -1.489 1.00 32.11 O ATOM 100 CB PRO A 7 10.624 -2.939 -3.808 1.00 20.44 C ATOM 101 CG PRO A 7 9.285 -2.289 -3.759 1.00 75.24 C ATOM 102 CD PRO A 7 8.295 -3.349 -4.157 1.00 30.54 C ATOM 0 HA PRO A 7 11.025 -5.109 -3.891 1.00 62.51 H new ATOM 0 HB2 PRO A 7 11.324 -2.455 -3.127 1.00 20.44 H new ATOM 0 HB3 PRO A 7 11.057 -2.878 -4.806 1.00 20.44 H new ATOM 0 HG2 PRO A 7 9.071 -1.911 -2.759 1.00 75.24 H new ATOM 0 HG3 PRO A 7 9.239 -1.438 -4.438 1.00 75.24 H new ATOM 0 HD2 PRO A 7 7.342 -3.222 -3.644 1.00 30.54 H new ATOM 0 HD3 PRO A 7 8.087 -3.323 -5.227 1.00 30.54 H new ATOM 110 N LYS A 8 9.573 -4.369 -1.109 1.00 64.14 N ATOM 111 CA LYS A 8 9.677 -4.516 0.338 1.00 72.45 C ATOM 112 C LYS A 8 9.477 -5.971 0.752 1.00 11.40 C ATOM 113 O LYS A 8 9.893 -6.379 1.837 1.00 74.23 O ATOM 114 CB LYS A 8 8.644 -3.629 1.036 1.00 31.22 C ATOM 115 CG LYS A 8 8.067 -4.246 2.299 1.00 44.20 C ATOM 116 CD LYS A 8 7.154 -3.274 3.027 1.00 31.01 C ATOM 117 CE LYS A 8 7.939 -2.128 3.647 1.00 64.34 C ATOM 118 NZ LYS A 8 7.613 -1.948 5.088 1.00 4.04 N ATOM 0 H LYS A 8 8.648 -4.096 -1.439 1.00 64.14 H new ATOM 0 HA LYS A 8 10.677 -4.205 0.640 1.00 72.45 H new ATOM 0 HB2 LYS A 8 9.107 -2.675 1.287 1.00 31.22 H new ATOM 0 HB3 LYS A 8 7.831 -3.416 0.341 1.00 31.22 H new ATOM 0 HG2 LYS A 8 7.510 -5.148 2.043 1.00 44.20 H new ATOM 0 HG3 LYS A 8 8.879 -4.549 2.960 1.00 44.20 H new ATOM 0 HD2 LYS A 8 6.416 -2.876 2.331 1.00 31.01 H new ATOM 0 HD3 LYS A 8 6.605 -3.803 3.806 1.00 31.01 H new ATOM 0 HE2 LYS A 8 9.007 -2.318 3.537 1.00 64.34 H new ATOM 0 HE3 LYS A 8 7.722 -1.206 3.108 1.00 64.34 H new ATOM 0 HZ1 LYS A 8 8.168 -1.158 5.473 1.00 4.04 H new ATOM 0 HZ2 LYS A 8 6.599 -1.741 5.191 1.00 4.04 H new ATOM 0 HZ3 LYS A 8 7.844 -2.819 5.608 1.00 4.04 H new ATOM 132 N ILE A 9 8.840 -6.747 -0.118 1.00 51.11 N ATOM 133 CA ILE A 9 8.588 -8.156 0.157 1.00 1.14 C ATOM 134 C ILE A 9 9.893 -8.915 0.375 1.00 35.11 C ATOM 135 O ILE A 9 9.967 -9.814 1.213 1.00 35.22 O ATOM 136 CB ILE A 9 7.804 -8.822 -0.989 1.00 24.33 C ATOM 137 CG1 ILE A 9 6.691 -9.708 -0.427 1.00 31.45 C ATOM 138 CG2 ILE A 9 8.742 -9.635 -1.869 1.00 20.11 C ATOM 139 CD1 ILE A 9 7.199 -10.968 0.240 1.00 41.31 C ATOM 0 H ILE A 9 8.489 -6.424 -1.019 1.00 51.11 H new ATOM 0 HA ILE A 9 7.990 -8.198 1.067 1.00 1.14 H new ATOM 0 HB ILE A 9 7.348 -8.042 -1.599 1.00 24.33 H new ATOM 0 HG12 ILE A 9 6.110 -9.134 0.295 1.00 31.45 H new ATOM 0 HG13 ILE A 9 6.013 -9.983 -1.235 1.00 31.45 H new ATOM 0 HG21 ILE A 9 8.174 -10.100 -2.675 1.00 20.11 H new ATOM 0 HG22 ILE A 9 9.503 -8.979 -2.293 1.00 20.11 H new ATOM 0 HG23 ILE A 9 9.223 -10.409 -1.271 1.00 20.11 H new ATOM 0 HD11 ILE A 9 6.355 -11.547 0.615 1.00 41.31 H new ATOM 0 HD12 ILE A 9 7.755 -11.564 -0.484 1.00 41.31 H new ATOM 0 HD13 ILE A 9 7.853 -10.702 1.070 1.00 41.31 H new ATOM 151 N ILE A 10 10.919 -8.546 -0.383 1.00 61.14 N ATOM 152 CA ILE A 10 12.222 -9.190 -0.271 1.00 73.42 C ATOM 153 C ILE A 10 13.143 -8.410 0.660 1.00 13.15 C ATOM 154 O ILE A 10 14.108 -8.955 1.196 1.00 52.02 O ATOM 155 CB ILE A 10 12.901 -9.331 -1.646 1.00 54.14 C ATOM 156 CG1 ILE A 10 12.225 -10.435 -2.462 1.00 65.24 C ATOM 157 CG2 ILE A 10 14.384 -9.622 -1.477 1.00 44.44 C ATOM 158 CD1 ILE A 10 12.031 -11.722 -1.692 1.00 75.40 C ATOM 0 H ILE A 10 10.874 -7.804 -1.082 1.00 61.14 H new ATOM 0 HA ILE A 10 12.048 -10.183 0.143 1.00 73.42 H new ATOM 0 HB ILE A 10 12.795 -8.390 -2.185 1.00 54.14 H new ATOM 0 HG12 ILE A 10 11.255 -10.078 -2.808 1.00 65.24 H new ATOM 0 HG13 ILE A 10 12.824 -10.639 -3.349 1.00 65.24 H new ATOM 0 HG21 ILE A 10 14.850 -9.719 -2.458 1.00 44.44 H new ATOM 0 HG22 ILE A 10 14.855 -8.805 -0.931 1.00 44.44 H new ATOM 0 HG23 ILE A 10 14.511 -10.551 -0.921 1.00 44.44 H new ATOM 0 HD11 ILE A 10 11.547 -12.459 -2.332 1.00 75.40 H new ATOM 0 HD12 ILE A 10 13.000 -12.102 -1.369 1.00 75.40 H new ATOM 0 HD13 ILE A 10 11.406 -11.533 -0.819 1.00 75.40 H new ATOM 170 N SER A 11 12.837 -7.131 0.851 1.00 55.50 N ATOM 171 CA SER A 11 13.638 -6.274 1.717 1.00 52.40 C ATOM 172 C SER A 11 13.832 -6.915 3.087 1.00 32.44 C ATOM 173 O SER A 11 14.891 -6.786 3.701 1.00 12.04 O ATOM 174 CB SER A 11 12.973 -4.905 1.872 1.00 53.41 C ATOM 175 OG SER A 11 13.860 -3.970 2.461 1.00 21.25 O ATOM 0 H SER A 11 12.040 -6.665 0.418 1.00 55.50 H new ATOM 0 HA SER A 11 14.616 -6.145 1.254 1.00 52.40 H new ATOM 0 HB2 SER A 11 12.652 -4.541 0.896 1.00 53.41 H new ATOM 0 HB3 SER A 11 12.078 -5.000 2.487 1.00 53.41 H new ATOM 0 HG SER A 11 13.411 -3.103 2.548 1.00 21.25 H new ATOM 181 N SER A 12 12.801 -7.608 3.561 1.00 52.02 N ATOM 182 CA SER A 12 12.855 -8.267 4.860 1.00 31.42 C ATOM 183 C SER A 12 13.367 -9.698 4.722 1.00 3.15 C ATOM 184 O SER A 12 14.496 -10.019 5.096 1.00 34.11 O ATOM 185 CB SER A 12 11.471 -8.270 5.513 1.00 41.14 C ATOM 186 OG SER A 12 11.357 -7.232 6.470 1.00 12.41 O ATOM 0 H SER A 12 11.918 -7.727 3.064 1.00 52.02 H new ATOM 0 HA SER A 12 13.546 -7.711 5.493 1.00 31.42 H new ATOM 0 HB2 SER A 12 10.704 -8.149 4.748 1.00 41.14 H new ATOM 0 HB3 SER A 12 11.294 -9.233 5.993 1.00 41.14 H new ATOM 0 HG SER A 12 10.463 -7.254 6.872 1.00 12.41 H new ATOM 192 N PRO A 13 12.518 -10.579 4.173 1.00 65.11 N ATOM 193 CA PRO A 13 12.862 -11.990 3.972 1.00 3.11 C ATOM 194 C PRO A 13 13.917 -12.181 2.888 1.00 40.15 C ATOM 195 O PRO A 13 14.454 -11.210 2.352 1.00 25.41 O ATOM 196 CB PRO A 13 11.535 -12.621 3.544 1.00 20.12 C ATOM 197 CG PRO A 13 10.759 -11.500 2.944 1.00 34.21 C ATOM 198 CD PRO A 13 11.158 -10.266 3.705 1.00 51.04 C ATOM 0 HA PRO A 13 13.292 -12.436 4.869 1.00 3.11 H new ATOM 0 HB2 PRO A 13 11.692 -13.424 2.824 1.00 20.12 H new ATOM 0 HB3 PRO A 13 11.010 -13.055 4.395 1.00 20.12 H new ATOM 0 HG2 PRO A 13 10.984 -11.394 1.883 1.00 34.21 H new ATOM 0 HG3 PRO A 13 9.687 -11.680 3.026 1.00 34.21 H new ATOM 0 HD2 PRO A 13 11.146 -9.380 3.070 1.00 51.04 H new ATOM 0 HD3 PRO A 13 10.482 -10.071 4.537 1.00 51.04 H new ATOM 206 N LEU A 14 14.209 -13.437 2.567 1.00 11.43 N ATOM 207 CA LEU A 14 15.200 -13.755 1.545 1.00 11.01 C ATOM 208 C LEU A 14 14.661 -14.796 0.570 1.00 73.33 C ATOM 209 O LEU A 14 15.405 -15.643 0.075 1.00 43.34 O ATOM 210 CB LEU A 14 16.486 -14.267 2.196 1.00 43.33 C ATOM 211 CG LEU A 14 16.322 -15.407 3.201 1.00 23.11 C ATOM 212 CD1 LEU A 14 16.100 -16.727 2.479 1.00 22.25 C ATOM 213 CD2 LEU A 14 17.538 -15.493 4.113 1.00 73.33 C ATOM 0 H LEU A 14 13.774 -14.252 3.000 1.00 11.43 H new ATOM 0 HA LEU A 14 15.419 -12.843 0.990 1.00 11.01 H new ATOM 0 HB2 LEU A 14 17.161 -14.599 1.407 1.00 43.33 H new ATOM 0 HB3 LEU A 14 16.971 -13.432 2.701 1.00 43.33 H new ATOM 0 HG LEU A 14 15.446 -15.201 3.816 1.00 23.11 H new ATOM 0 HD11 LEU A 14 15.985 -17.527 3.210 1.00 22.25 H new ATOM 0 HD12 LEU A 14 15.199 -16.661 1.869 1.00 22.25 H new ATOM 0 HD13 LEU A 14 16.956 -16.940 1.839 1.00 22.25 H new ATOM 0 HD21 LEU A 14 17.404 -16.310 4.822 1.00 73.33 H new ATOM 0 HD22 LEU A 14 18.430 -15.675 3.514 1.00 73.33 H new ATOM 0 HD23 LEU A 14 17.652 -14.555 4.657 1.00 73.33 H new ATOM 225 N PHE A 15 13.362 -14.727 0.296 1.00 2.21 N ATOM 226 CA PHE A 15 12.723 -15.663 -0.622 1.00 1.24 C ATOM 227 C PHE A 15 12.864 -15.190 -2.066 1.00 34.33 C ATOM 228 O PHE A 15 12.268 -15.762 -2.979 1.00 65.32 O ATOM 229 CB PHE A 15 11.243 -15.826 -0.268 1.00 64.33 C ATOM 230 CG PHE A 15 10.313 -15.345 -1.345 1.00 23.10 C ATOM 231 CD1 PHE A 15 9.920 -14.018 -1.396 1.00 52.54 C ATOM 232 CD2 PHE A 15 9.833 -16.220 -2.306 1.00 31.01 C ATOM 233 CE1 PHE A 15 9.063 -13.572 -2.386 1.00 24.44 C ATOM 234 CE2 PHE A 15 8.977 -15.781 -3.298 1.00 15.51 C ATOM 235 CZ PHE A 15 8.592 -14.455 -3.338 1.00 42.33 C ATOM 0 H PHE A 15 12.731 -14.033 0.697 1.00 2.21 H new ATOM 0 HA PHE A 15 13.221 -16.628 -0.524 1.00 1.24 H new ATOM 0 HB2 PHE A 15 11.040 -16.878 -0.066 1.00 64.33 H new ATOM 0 HB3 PHE A 15 11.035 -15.279 0.652 1.00 64.33 H new ATOM 0 HD1 PHE A 15 10.287 -13.324 -0.655 1.00 52.54 H new ATOM 0 HD2 PHE A 15 10.131 -17.258 -2.279 1.00 31.01 H new ATOM 0 HE1 PHE A 15 8.763 -12.535 -2.415 1.00 24.44 H new ATOM 0 HE2 PHE A 15 8.610 -16.474 -4.041 1.00 15.51 H new ATOM 0 HZ PHE A 15 7.924 -14.109 -4.113 1.00 42.33 H new ATOM 245 N LYS A 16 13.655 -14.142 -2.264 1.00 52.53 N ATOM 246 CA LYS A 16 13.876 -13.590 -3.596 1.00 73.50 C ATOM 247 C LYS A 16 14.109 -14.703 -4.613 1.00 42.23 C ATOM 248 O LYS A 16 13.773 -14.564 -5.790 1.00 1.42 O ATOM 249 CB LYS A 16 15.072 -12.637 -3.584 1.00 4.33 C ATOM 250 CG LYS A 16 16.407 -13.333 -3.789 1.00 11.54 C ATOM 251 CD LYS A 16 16.757 -14.226 -2.610 1.00 51.50 C ATOM 252 CE LYS A 16 18.139 -13.907 -2.060 1.00 52.32 C ATOM 253 NZ LYS A 16 18.737 -15.073 -1.353 1.00 42.15 N ATOM 0 H LYS A 16 14.155 -13.657 -1.519 1.00 52.53 H new ATOM 0 HA LYS A 16 12.983 -13.037 -3.886 1.00 73.50 H new ATOM 0 HB2 LYS A 16 14.938 -11.889 -4.366 1.00 4.33 H new ATOM 0 HB3 LYS A 16 15.092 -12.104 -2.633 1.00 4.33 H new ATOM 0 HG2 LYS A 16 16.371 -13.930 -4.701 1.00 11.54 H new ATOM 0 HG3 LYS A 16 17.190 -12.587 -3.927 1.00 11.54 H new ATOM 0 HD2 LYS A 16 16.013 -14.100 -1.823 1.00 51.50 H new ATOM 0 HD3 LYS A 16 16.720 -15.270 -2.920 1.00 51.50 H new ATOM 0 HE2 LYS A 16 18.794 -13.603 -2.877 1.00 52.32 H new ATOM 0 HE3 LYS A 16 18.071 -13.062 -1.374 1.00 52.32 H new ATOM 0 HZ1 LYS A 16 19.678 -14.815 -0.993 1.00 42.15 H new ATOM 0 HZ2 LYS A 16 18.125 -15.348 -0.558 1.00 42.15 H new ATOM 0 HZ3 LYS A 16 18.826 -15.871 -2.014 1.00 42.15 H new ATOM 267 N THR A 17 14.686 -15.809 -4.153 1.00 1.54 N ATOM 268 CA THR A 17 14.964 -16.945 -5.022 1.00 0.30 C ATOM 269 C THR A 17 13.681 -17.499 -5.630 1.00 14.04 C ATOM 270 O THR A 17 13.635 -17.830 -6.815 1.00 63.12 O ATOM 271 CB THR A 17 15.686 -18.072 -4.260 1.00 2.22 C ATOM 272 OG1 THR A 17 16.332 -18.953 -5.185 1.00 70.32 O ATOM 273 CG2 THR A 17 14.707 -18.858 -3.401 1.00 60.34 C ATOM 0 H THR A 17 14.970 -15.942 -3.182 1.00 1.54 H new ATOM 0 HA THR A 17 15.613 -16.582 -5.819 1.00 0.30 H new ATOM 0 HB THR A 17 16.433 -17.619 -3.608 1.00 2.22 H new ATOM 0 HG1 THR A 17 16.790 -19.666 -4.692 1.00 70.32 H new ATOM 0 HG21 THR A 17 15.240 -19.648 -2.872 1.00 60.34 H new ATOM 0 HG22 THR A 17 14.239 -18.190 -2.678 1.00 60.34 H new ATOM 0 HG23 THR A 17 13.939 -19.300 -4.036 1.00 60.34 H new ATOM 281 N LEU A 18 12.639 -17.597 -4.811 1.00 74.24 N ATOM 282 CA LEU A 18 11.352 -18.111 -5.269 1.00 63.10 C ATOM 283 C LEU A 18 10.502 -16.995 -5.868 1.00 30.32 C ATOM 284 O LEU A 18 9.537 -17.254 -6.589 1.00 3.12 O ATOM 285 CB LEU A 18 10.604 -18.773 -4.110 1.00 52.55 C ATOM 286 CG LEU A 18 10.313 -20.266 -4.265 1.00 1.24 C ATOM 287 CD1 LEU A 18 10.375 -20.964 -2.915 1.00 1.31 C ATOM 288 CD2 LEU A 18 8.955 -20.480 -4.916 1.00 72.31 C ATOM 0 H LEU A 18 12.660 -17.328 -3.827 1.00 74.24 H new ATOM 0 HA LEU A 18 11.540 -18.854 -6.044 1.00 63.10 H new ATOM 0 HB2 LEU A 18 11.185 -18.629 -3.199 1.00 52.55 H new ATOM 0 HB3 LEU A 18 9.657 -18.251 -3.970 1.00 52.55 H new ATOM 0 HG LEU A 18 11.076 -20.700 -4.911 1.00 1.24 H new ATOM 0 HD11 LEU A 18 10.165 -22.026 -3.044 1.00 1.31 H new ATOM 0 HD12 LEU A 18 11.370 -20.840 -2.487 1.00 1.31 H new ATOM 0 HD13 LEU A 18 9.634 -20.527 -2.245 1.00 1.31 H new ATOM 0 HD21 LEU A 18 8.765 -21.548 -5.018 1.00 72.31 H new ATOM 0 HD22 LEU A 18 8.179 -20.031 -4.296 1.00 72.31 H new ATOM 0 HD23 LEU A 18 8.946 -20.014 -5.901 1.00 72.31 H new ATOM 300 N LEU A 19 10.867 -15.754 -5.566 1.00 72.04 N ATOM 301 CA LEU A 19 10.139 -14.597 -6.077 1.00 31.33 C ATOM 302 C LEU A 19 10.051 -14.637 -7.599 1.00 64.20 C ATOM 303 O LEU A 19 8.986 -14.417 -8.176 1.00 4.34 O ATOM 304 CB LEU A 19 10.819 -13.303 -5.627 1.00 61.03 C ATOM 305 CG LEU A 19 9.985 -12.028 -5.752 1.00 54.23 C ATOM 306 CD1 LEU A 19 8.606 -12.344 -6.312 1.00 65.51 C ATOM 307 CD2 LEU A 19 9.868 -11.333 -4.404 1.00 14.33 C ATOM 0 H LEU A 19 11.662 -15.523 -4.970 1.00 72.04 H new ATOM 0 HA LEU A 19 9.127 -14.628 -5.673 1.00 31.33 H new ATOM 0 HB2 LEU A 19 11.118 -13.417 -4.585 1.00 61.03 H new ATOM 0 HB3 LEU A 19 11.732 -13.175 -6.209 1.00 61.03 H new ATOM 0 HG LEU A 19 10.490 -11.354 -6.444 1.00 54.23 H new ATOM 0 HD11 LEU A 19 8.027 -11.424 -6.394 1.00 65.51 H new ATOM 0 HD12 LEU A 19 8.709 -12.797 -7.298 1.00 65.51 H new ATOM 0 HD13 LEU A 19 8.093 -13.038 -5.646 1.00 65.51 H new ATOM 0 HD21 LEU A 19 9.271 -10.427 -4.512 1.00 14.33 H new ATOM 0 HD22 LEU A 19 9.387 -12.002 -3.690 1.00 14.33 H new ATOM 0 HD23 LEU A 19 10.862 -11.071 -4.042 1.00 14.33 H new