USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 156 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 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 33:sc= -0.0684 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 71:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 24.759 -5.960 -13.902 1.00 0.00 N ATOM 109 CA LEU A 7 25.745 -6.138 -12.796 1.00 0.00 C ATOM 110 C LEU A 7 26.521 -4.838 -12.559 1.00 0.00 C ATOM 111 O LEU A 7 26.912 -4.539 -11.448 1.00 0.00 O ATOM 112 CB LEU A 7 26.727 -7.248 -13.173 1.00 0.00 C ATOM 113 CG LEU A 7 27.609 -7.579 -11.970 1.00 0.00 C ATOM 114 CD1 LEU A 7 26.754 -8.215 -10.873 1.00 0.00 C ATOM 115 CD2 LEU A 7 28.704 -8.560 -12.396 1.00 0.00 C ATOM 0 HA LEU A 7 25.211 -6.403 -11.884 1.00 0.00 H new ATOM 0 HB2 LEU A 7 26.183 -8.136 -13.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 27.344 -6.932 -14.014 1.00 0.00 H new ATOM 0 HG LEU A 7 28.067 -6.665 -11.591 1.00 0.00 H new ATOM 0 HD11 LEU A 7 27.382 -8.452 -10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.973 -7.518 -10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 7 26.297 -9.129 -11.252 1.00 0.00 H new ATOM 0 HD21 LEU A 7 29.334 -8.797 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.246 -9.474 -12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 7 29.312 -8.108 -13.179 1.00 0.00 H new ATOM 127 N SER A 8 26.755 -4.071 -13.594 1.00 0.00 N ATOM 128 CA SER A 8 27.515 -2.795 -13.428 1.00 0.00 C ATOM 129 C SER A 8 26.663 -1.779 -12.666 1.00 0.00 C ATOM 130 O SER A 8 27.178 -0.946 -11.944 1.00 0.00 O ATOM 131 CB SER A 8 27.872 -2.231 -14.802 1.00 0.00 C ATOM 132 OG SER A 8 26.686 -1.803 -15.455 1.00 0.00 O ATOM 0 H SER A 8 26.452 -4.273 -14.547 1.00 0.00 H new ATOM 0 HA SER A 8 28.428 -2.992 -12.866 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.565 -1.396 -14.697 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.377 -2.990 -15.400 1.00 0.00 H new ATOM 0 HG SER A 8 26.911 -1.439 -16.337 1.00 0.00 H new ATOM 138 N ASP A 9 25.366 -1.843 -12.822 1.00 0.00 N ATOM 139 CA ASP A 9 24.473 -0.883 -12.110 1.00 0.00 C ATOM 140 C ASP A 9 24.402 -1.250 -10.625 1.00 0.00 C ATOM 141 O ASP A 9 24.225 -0.396 -9.775 1.00 0.00 O ATOM 142 CB ASP A 9 23.072 -0.945 -12.723 1.00 0.00 C ATOM 143 CG ASP A 9 22.987 0.031 -13.898 1.00 0.00 C ATOM 144 OD1 ASP A 9 23.768 -0.118 -14.823 1.00 0.00 O ATOM 145 OD2 ASP A 9 22.142 0.909 -13.854 1.00 0.00 O ATOM 0 H ASP A 9 24.886 -2.521 -13.414 1.00 0.00 H new ATOM 0 HA ASP A 9 24.870 0.127 -12.211 1.00 0.00 H new ATOM 0 HB2 ASP A 9 22.856 -1.958 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 9 22.323 -0.693 -11.972 1.00 0.00 H new ATOM 150 N ILE A 10 24.542 -2.513 -10.306 1.00 0.00 N ATOM 151 CA ILE A 10 24.486 -2.941 -8.877 1.00 0.00 C ATOM 152 C ILE A 10 25.810 -2.603 -8.191 1.00 0.00 C ATOM 153 O ILE A 10 25.841 -2.254 -7.029 1.00 0.00 O ATOM 154 CB ILE A 10 24.255 -4.452 -8.797 1.00 0.00 C ATOM 155 CG1 ILE A 10 23.034 -4.839 -9.648 1.00 0.00 C ATOM 156 CG2 ILE A 10 24.031 -4.864 -7.335 1.00 0.00 C ATOM 157 CD1 ILE A 10 21.766 -4.176 -9.101 1.00 0.00 C ATOM 0 H ILE A 10 24.693 -3.267 -10.977 1.00 0.00 H new ATOM 0 HA ILE A 10 23.668 -2.420 -8.381 1.00 0.00 H new ATOM 0 HB ILE A 10 25.132 -4.971 -9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 10 23.193 -4.535 -10.682 1.00 0.00 H new ATOM 0 HG13 ILE A 10 22.913 -5.922 -9.650 1.00 0.00 H new ATOM 0 HG21 ILE A 10 23.867 -5.940 -7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.908 -4.601 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 10 23.158 -4.344 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 10 20.912 -4.461 -9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.599 -4.502 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 10 21.883 -3.093 -9.123 1.00 0.00 H new ATOM 169 N THR A 11 26.904 -2.713 -8.902 1.00 0.00 N ATOM 170 CA THR A 11 28.235 -2.412 -8.300 1.00 0.00 C ATOM 171 C THR A 11 28.279 -0.956 -7.826 1.00 0.00 C ATOM 172 O THR A 11 28.697 -0.667 -6.719 1.00 0.00 O ATOM 173 CB THR A 11 29.325 -2.641 -9.348 1.00 0.00 C ATOM 174 OG1 THR A 11 28.832 -2.278 -10.630 1.00 0.00 O ATOM 175 CG2 THR A 11 29.730 -4.117 -9.354 1.00 0.00 C ATOM 0 H THR A 11 26.930 -3.001 -9.880 1.00 0.00 H new ATOM 0 HA THR A 11 28.400 -3.068 -7.446 1.00 0.00 H new ATOM 0 HB THR A 11 30.194 -2.030 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 11 28.197 -1.537 -10.539 1.00 0.00 H new ATOM 0 HG21 THR A 11 30.507 -4.278 -10.101 1.00 0.00 H new ATOM 0 HG22 THR A 11 30.110 -4.394 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.862 -4.731 -9.594 1.00 0.00 H new ATOM 183 N ASP A 12 27.854 -0.040 -8.658 1.00 0.00 N ATOM 184 CA ASP A 12 27.872 1.403 -8.269 1.00 0.00 C ATOM 185 C ASP A 12 26.978 1.626 -7.048 1.00 0.00 C ATOM 186 O ASP A 12 27.343 2.319 -6.114 1.00 0.00 O ATOM 187 CB ASP A 12 27.353 2.249 -9.433 1.00 0.00 C ATOM 188 CG ASP A 12 28.005 3.632 -9.389 1.00 0.00 C ATOM 189 OD1 ASP A 12 29.206 3.706 -9.593 1.00 0.00 O ATOM 190 OD2 ASP A 12 27.293 4.593 -9.149 1.00 0.00 O ATOM 0 H ASP A 12 27.494 -0.230 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 12 28.894 1.694 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 12 27.577 1.759 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 12 26.269 2.344 -9.372 1.00 0.00 H new ATOM 195 N VAL A 13 25.806 1.051 -7.056 1.00 0.00 N ATOM 196 CA VAL A 13 24.869 1.227 -5.908 1.00 0.00 C ATOM 197 C VAL A 13 25.487 0.637 -4.634 1.00 0.00 C ATOM 198 O VAL A 13 25.181 1.066 -3.538 1.00 0.00 O ATOM 199 CB VAL A 13 23.547 0.524 -6.215 1.00 0.00 C ATOM 200 CG1 VAL A 13 22.545 0.796 -5.090 1.00 0.00 C ATOM 201 CG2 VAL A 13 22.978 1.053 -7.535 1.00 0.00 C ATOM 0 H VAL A 13 25.455 0.464 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 13 24.686 2.290 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 13 23.723 -0.549 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 13 21.604 0.293 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.944 0.419 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.373 1.869 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 13 22.035 0.551 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 13 22.807 2.126 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 13 23.686 0.859 -8.340 1.00 0.00 H new ATOM 211 N ILE A 14 26.350 -0.339 -4.770 1.00 0.00 N ATOM 212 CA ILE A 14 26.985 -0.955 -3.566 1.00 0.00 C ATOM 213 C ILE A 14 27.914 0.073 -2.907 1.00 0.00 C ATOM 214 O ILE A 14 28.009 0.146 -1.695 1.00 0.00 O ATOM 215 CB ILE A 14 27.773 -2.209 -3.994 1.00 0.00 C ATOM 216 CG1 ILE A 14 26.785 -3.292 -4.444 1.00 0.00 C ATOM 217 CG2 ILE A 14 28.601 -2.756 -2.823 1.00 0.00 C ATOM 218 CD1 ILE A 14 27.447 -4.212 -5.474 1.00 0.00 C ATOM 0 H ILE A 14 26.642 -0.735 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 14 26.223 -1.251 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 14 28.445 -1.937 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 14 26.455 -3.874 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.897 -2.829 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 14 29.149 -3.641 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 14 29.306 -1.995 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 14 27.937 -3.022 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 14 26.737 -4.978 -5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 14 27.755 -3.626 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 14 28.321 -4.688 -5.029 1.00 0.00 H new ATOM 230 N PHE A 15 28.592 0.867 -3.694 1.00 0.00 N ATOM 231 CA PHE A 15 29.512 1.893 -3.121 1.00 0.00 C ATOM 232 C PHE A 15 28.709 2.871 -2.256 1.00 0.00 C ATOM 233 O PHE A 15 29.010 3.082 -1.095 1.00 0.00 O ATOM 234 CB PHE A 15 30.184 2.653 -4.266 1.00 0.00 C ATOM 235 CG PHE A 15 31.576 3.072 -3.856 1.00 0.00 C ATOM 236 CD1 PHE A 15 31.761 4.180 -3.019 1.00 0.00 C ATOM 237 CD2 PHE A 15 32.684 2.351 -4.317 1.00 0.00 C ATOM 238 CE1 PHE A 15 33.054 4.566 -2.643 1.00 0.00 C ATOM 239 CE2 PHE A 15 33.977 2.737 -3.942 1.00 0.00 C ATOM 240 CZ PHE A 15 34.162 3.844 -3.105 1.00 0.00 C ATOM 0 H PHE A 15 28.548 0.849 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 15 30.271 1.409 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 15 30.231 2.023 -5.154 1.00 0.00 H new ATOM 0 HB3 PHE A 15 29.593 3.530 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 15 30.907 4.737 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 15 32.542 1.497 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 15 33.197 5.420 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 15 34.831 2.181 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 15 35.159 4.141 -2.815 1.00 0.00 H new ATOM 250 N ILE A 16 27.689 3.463 -2.819 1.00 0.00 N ATOM 251 CA ILE A 16 26.853 4.432 -2.046 1.00 0.00 C ATOM 252 C ILE A 16 25.961 3.691 -1.034 1.00 0.00 C ATOM 253 O ILE A 16 25.339 4.310 -0.191 1.00 0.00 O ATOM 254 CB ILE A 16 25.967 5.222 -3.016 1.00 0.00 C ATOM 255 CG1 ILE A 16 26.844 5.858 -4.108 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.209 6.320 -2.254 1.00 0.00 C ATOM 257 CD1 ILE A 16 26.783 5.013 -5.387 1.00 0.00 C ATOM 0 H ILE A 16 27.397 3.317 -3.785 1.00 0.00 H new ATOM 0 HA ILE A 16 27.513 5.109 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 16 25.246 4.547 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 16 26.503 6.872 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.874 5.933 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 16 24.581 6.878 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.584 5.865 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.923 6.998 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.407 5.470 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 16 27.146 4.007 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.753 4.961 -5.740 1.00 0.00 H new ATOM 269 N TYR A 17 25.885 2.382 -1.109 1.00 0.00 N ATOM 270 CA TYR A 17 25.026 1.622 -0.153 1.00 0.00 C ATOM 271 C TYR A 17 25.674 1.626 1.236 1.00 0.00 C ATOM 272 O TYR A 17 25.184 2.251 2.157 1.00 0.00 O ATOM 273 CB TYR A 17 24.870 0.179 -0.655 1.00 0.00 C ATOM 274 CG TYR A 17 23.990 -0.612 0.287 1.00 0.00 C ATOM 275 CD1 TYR A 17 22.663 -0.224 0.502 1.00 0.00 C ATOM 276 CD2 TYR A 17 24.506 -1.735 0.944 1.00 0.00 C ATOM 277 CE1 TYR A 17 21.852 -0.958 1.375 1.00 0.00 C ATOM 278 CE2 TYR A 17 23.696 -2.469 1.817 1.00 0.00 C ATOM 279 CZ TYR A 17 22.368 -2.081 2.032 1.00 0.00 C ATOM 280 OH TYR A 17 21.569 -2.804 2.893 1.00 0.00 O ATOM 0 H TYR A 17 26.382 1.810 -1.792 1.00 0.00 H new ATOM 0 HA TYR A 17 24.044 2.091 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 17 24.436 0.179 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 17 25.849 -0.294 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 17 22.265 0.642 -0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 17 25.530 -2.035 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.828 -0.658 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 17 24.095 -3.335 2.325 1.00 0.00 H new ATOM 0 HH TYR A 17 22.081 -3.552 3.264 1.00 0.00 H new ATOM 290 N PHE A 18 26.767 0.924 1.390 1.00 0.00 N ATOM 291 CA PHE A 18 27.451 0.868 2.718 1.00 0.00 C ATOM 292 C PHE A 18 27.870 2.278 3.155 1.00 0.00 C ATOM 293 O PHE A 18 27.912 2.585 4.331 1.00 0.00 O ATOM 294 CB PHE A 18 28.696 -0.018 2.610 1.00 0.00 C ATOM 295 CG PHE A 18 28.345 -1.442 2.979 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.030 -1.766 4.305 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.340 -2.440 1.996 1.00 0.00 C ATOM 298 CE1 PHE A 18 27.710 -3.086 4.647 1.00 0.00 C ATOM 299 CE2 PHE A 18 28.020 -3.760 2.338 1.00 0.00 C ATOM 300 CZ PHE A 18 27.705 -4.083 3.664 1.00 0.00 C ATOM 0 H PHE A 18 27.217 0.385 0.651 1.00 0.00 H new ATOM 0 HA PHE A 18 26.763 0.454 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.092 0.017 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.478 0.356 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.034 -0.998 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.583 -2.191 0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 18 27.467 -3.335 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.016 -4.529 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.458 -5.101 3.928 1.00 0.00 H new ATOM 310 N ALA A 19 28.189 3.128 2.214 1.00 0.00 N ATOM 311 CA ALA A 19 28.623 4.519 2.555 1.00 0.00 C ATOM 312 C ALA A 19 27.521 5.257 3.321 1.00 0.00 C ATOM 313 O ALA A 19 27.748 5.805 4.378 1.00 0.00 O ATOM 314 CB ALA A 19 28.916 5.278 1.263 1.00 0.00 C ATOM 0 H ALA A 19 28.168 2.918 1.216 1.00 0.00 H new ATOM 0 HA ALA A 19 29.514 4.465 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 19 29.233 6.293 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 19 29.709 4.770 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.016 5.314 0.650 1.00 0.00 H new ATOM 320 N ALA A 20 26.340 5.295 2.772 1.00 0.00 N ATOM 321 CA ALA A 20 25.201 6.015 3.432 1.00 0.00 C ATOM 322 C ALA A 20 24.973 5.505 4.855 1.00 0.00 C ATOM 323 O ALA A 20 24.737 6.267 5.773 1.00 0.00 O ATOM 324 CB ALA A 20 23.932 5.762 2.631 1.00 0.00 C ATOM 0 H ALA A 20 26.106 4.854 1.882 1.00 0.00 H new ATOM 0 HA ALA A 20 25.444 7.077 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 20 23.096 6.280 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 20 24.064 6.132 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 20 23.726 4.692 2.604 1.00 0.00 H new ATOM 330 N LEU A 21 24.992 4.218 5.020 1.00 0.00 N ATOM 331 CA LEU A 21 24.736 3.612 6.364 1.00 0.00 C ATOM 332 C LEU A 21 25.910 3.857 7.328 1.00 0.00 C ATOM 333 O LEU A 21 25.756 3.755 8.531 1.00 0.00 O ATOM 334 CB LEU A 21 24.533 2.106 6.189 1.00 0.00 C ATOM 335 CG LEU A 21 23.238 1.856 5.414 1.00 0.00 C ATOM 336 CD1 LEU A 21 23.192 0.400 4.945 1.00 0.00 C ATOM 337 CD2 LEU A 21 22.039 2.137 6.322 1.00 0.00 C ATOM 0 H LEU A 21 25.176 3.545 4.276 1.00 0.00 H new ATOM 0 HA LEU A 21 23.848 4.078 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 21 25.379 1.673 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 21 24.487 1.618 7.163 1.00 0.00 H new ATOM 0 HG LEU A 21 23.202 2.516 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.269 0.224 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.045 0.199 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 21 23.229 -0.262 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.116 1.959 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 21 22.077 1.478 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 21 22.069 3.175 6.654 1.00 0.00 H new ATOM 349 N SER A 22 27.078 4.160 6.819 1.00 0.00 N ATOM 350 CA SER A 22 28.261 4.389 7.713 1.00 0.00 C ATOM 351 C SER A 22 27.982 5.513 8.734 1.00 0.00 C ATOM 352 O SER A 22 28.066 5.283 9.923 1.00 0.00 O ATOM 353 CB SER A 22 29.478 4.759 6.859 1.00 0.00 C ATOM 354 OG SER A 22 30.419 3.696 6.903 1.00 0.00 O ATOM 0 H SER A 22 27.266 4.259 5.821 1.00 0.00 H new ATOM 0 HA SER A 22 28.458 3.471 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 22 29.172 4.947 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 22 29.932 5.678 7.230 1.00 0.00 H new ATOM 0 HG SER A 22 31.199 3.927 6.357 1.00 0.00 H new ATOM 360 N PRO A 23 27.673 6.700 8.251 1.00 0.00 N ATOM 361 CA PRO A 23 27.383 7.929 9.082 1.00 0.00 C ATOM 362 C PRO A 23 26.060 7.780 9.814 1.00 0.00 C ATOM 363 O PRO A 23 25.986 7.900 11.019 1.00 0.00 O ATOM 364 CB PRO A 23 27.309 9.090 8.107 1.00 0.00 C ATOM 365 CG PRO A 23 26.985 8.496 6.763 1.00 0.00 C ATOM 366 CD PRO A 23 27.530 7.074 6.793 1.00 0.00 C ATOM 0 HA PRO A 23 28.155 8.084 9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.544 9.804 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 23 28.255 9.631 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.910 8.499 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.443 9.073 5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 23 26.854 6.389 6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 23 28.491 7.016 6.281 1.00 0.00 H new ATOM 374 N ALA A 24 25.015 7.530 9.080 1.00 0.00 N ATOM 375 CA ALA A 24 23.653 7.370 9.696 1.00 0.00 C ATOM 376 C ALA A 24 23.713 6.417 10.902 1.00 0.00 C ATOM 377 O ALA A 24 22.923 6.516 11.822 1.00 0.00 O ATOM 378 CB ALA A 24 22.692 6.800 8.651 1.00 0.00 C ATOM 0 H ALA A 24 25.038 7.427 8.065 1.00 0.00 H new ATOM 0 HA ALA A 24 23.304 8.345 10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 24 21.703 6.682 9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 24 22.632 7.481 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 24 23.056 5.830 8.312 1.00 0.00 H new ATOM 384 N ILE A 25 24.651 5.504 10.901 1.00 0.00 N ATOM 385 CA ILE A 25 24.782 4.548 12.039 1.00 0.00 C ATOM 386 C ILE A 25 25.728 5.140 13.098 1.00 0.00 C ATOM 387 O ILE A 25 25.538 4.949 14.284 1.00 0.00 O ATOM 388 CB ILE A 25 25.335 3.212 11.512 1.00 0.00 C ATOM 389 CG1 ILE A 25 24.308 2.580 10.570 1.00 0.00 C ATOM 390 CG2 ILE A 25 25.603 2.245 12.673 1.00 0.00 C ATOM 391 CD1 ILE A 25 24.939 1.386 9.853 1.00 0.00 C ATOM 0 H ILE A 25 25.336 5.380 10.155 1.00 0.00 H new ATOM 0 HA ILE A 25 23.808 4.375 12.497 1.00 0.00 H new ATOM 0 HB ILE A 25 26.269 3.403 10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 25 23.432 2.258 11.133 1.00 0.00 H new ATOM 0 HG13 ILE A 25 23.966 3.315 9.842 1.00 0.00 H new ATOM 0 HG21 ILE A 25 25.994 1.306 12.281 1.00 0.00 H new ATOM 0 HG22 ILE A 25 26.332 2.686 13.353 1.00 0.00 H new ATOM 0 HG23 ILE A 25 24.674 2.056 13.211 1.00 0.00 H new ATOM 0 HD11 ILE A 25 24.207 0.936 9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 25 25.801 1.722 9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 25 25.259 0.648 10.588 1.00 0.00 H new ATOM 403 N THR A 26 26.746 5.848 12.674 1.00 0.00 N ATOM 404 CA THR A 26 27.716 6.449 13.646 1.00 0.00 C ATOM 405 C THR A 26 26.980 7.352 14.642 1.00 0.00 C ATOM 406 O THR A 26 27.299 7.381 15.816 1.00 0.00 O ATOM 407 CB THR A 26 28.749 7.280 12.880 1.00 0.00 C ATOM 408 OG1 THR A 26 29.187 6.553 11.741 1.00 0.00 O ATOM 409 CG2 THR A 26 29.945 7.576 13.786 1.00 0.00 C ATOM 0 H THR A 26 26.949 6.037 11.692 1.00 0.00 H new ATOM 0 HA THR A 26 28.212 5.647 14.193 1.00 0.00 H new ATOM 0 HB THR A 26 28.296 8.219 12.563 1.00 0.00 H new ATOM 0 HG1 THR A 26 28.467 6.520 11.077 1.00 0.00 H new ATOM 0 HG21 THR A 26 30.679 8.168 13.238 1.00 0.00 H new ATOM 0 HG22 THR A 26 29.610 8.133 14.661 1.00 0.00 H new ATOM 0 HG23 THR A 26 30.400 6.639 14.105 1.00 0.00 H new