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 -170:sc= -0.296 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 16.339 -1.039 -9.228 1.00 0.00 N ATOM 109 CA LEU A 7 17.588 -0.251 -9.001 1.00 0.00 C ATOM 110 C LEU A 7 17.674 0.193 -7.533 1.00 0.00 C ATOM 111 O LEU A 7 18.727 0.578 -7.059 1.00 0.00 O ATOM 112 CB LEU A 7 17.580 0.984 -9.903 1.00 0.00 C ATOM 113 CG LEU A 7 18.283 0.659 -11.222 1.00 0.00 C ATOM 114 CD1 LEU A 7 17.917 1.715 -12.266 1.00 0.00 C ATOM 115 CD2 LEU A 7 19.798 0.661 -11.006 1.00 0.00 C ATOM 0 HA LEU A 7 18.450 -0.876 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.555 1.301 -10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.083 1.814 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 7 17.967 -0.324 -11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.417 1.485 -13.207 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.838 1.716 -12.419 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.235 2.697 -11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 7 20.300 0.429 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.115 1.644 -10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.060 -0.089 -10.260 1.00 0.00 H new ATOM 127 N SER A 8 16.579 0.147 -6.810 1.00 0.00 N ATOM 128 CA SER A 8 16.600 0.570 -5.379 1.00 0.00 C ATOM 129 C SER A 8 17.530 -0.344 -4.575 1.00 0.00 C ATOM 130 O SER A 8 18.052 0.043 -3.547 1.00 0.00 O ATOM 131 CB SER A 8 15.185 0.486 -4.808 1.00 0.00 C ATOM 132 OG SER A 8 15.200 0.908 -3.451 1.00 0.00 O ATOM 0 H SER A 8 15.671 -0.167 -7.153 1.00 0.00 H new ATOM 0 HA SER A 8 16.965 1.595 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.509 1.113 -5.388 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.812 -0.536 -4.879 1.00 0.00 H new ATOM 0 HG SER A 8 14.293 0.857 -3.082 1.00 0.00 H new ATOM 138 N ASP A 9 17.738 -1.554 -5.035 1.00 0.00 N ATOM 139 CA ASP A 9 18.632 -2.499 -4.301 1.00 0.00 C ATOM 140 C ASP A 9 20.049 -1.918 -4.226 1.00 0.00 C ATOM 141 O ASP A 9 20.675 -1.926 -3.183 1.00 0.00 O ATOM 142 CB ASP A 9 18.661 -3.840 -5.042 1.00 0.00 C ATOM 143 CG ASP A 9 17.708 -4.827 -4.363 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.518 -4.557 -4.350 1.00 0.00 O ATOM 145 OD2 ASP A 9 18.184 -5.835 -3.868 1.00 0.00 O ATOM 0 H ASP A 9 17.325 -1.927 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 9 18.256 -2.648 -3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.371 -3.697 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.674 -4.242 -5.046 1.00 0.00 H new ATOM 150 N ILE A 10 20.555 -1.413 -5.323 1.00 0.00 N ATOM 151 CA ILE A 10 21.929 -0.827 -5.319 1.00 0.00 C ATOM 152 C ILE A 10 21.938 0.429 -4.443 1.00 0.00 C ATOM 153 O ILE A 10 22.914 0.725 -3.780 1.00 0.00 O ATOM 154 CB ILE A 10 22.336 -0.460 -6.751 1.00 0.00 C ATOM 155 CG1 ILE A 10 22.199 -1.689 -7.667 1.00 0.00 C ATOM 156 CG2 ILE A 10 23.785 0.035 -6.766 1.00 0.00 C ATOM 157 CD1 ILE A 10 23.099 -2.829 -7.172 1.00 0.00 C ATOM 0 H ILE A 10 20.075 -1.382 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 10 22.636 -1.555 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 10 21.681 0.331 -7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.161 -2.020 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 10 22.469 -1.421 -8.688 1.00 0.00 H new ATOM 0 HG21 ILE A 10 24.070 0.295 -7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.876 0.915 -6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.442 -0.751 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.990 -3.691 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 10 24.138 -2.499 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.809 -3.108 -6.159 1.00 0.00 H new ATOM 169 N THR A 11 20.853 1.164 -4.432 1.00 0.00 N ATOM 170 CA THR A 11 20.787 2.400 -3.594 1.00 0.00 C ATOM 171 C THR A 11 20.916 2.011 -2.120 1.00 0.00 C ATOM 172 O THR A 11 21.475 2.743 -1.325 1.00 0.00 O ATOM 173 CB THR A 11 19.450 3.113 -3.826 1.00 0.00 C ATOM 174 OG1 THR A 11 18.980 2.824 -5.136 1.00 0.00 O ATOM 175 CG2 THR A 11 19.642 4.624 -3.678 1.00 0.00 C ATOM 0 H THR A 11 20.010 0.960 -4.968 1.00 0.00 H new ATOM 0 HA THR A 11 21.599 3.073 -3.869 1.00 0.00 H new ATOM 0 HB THR A 11 18.723 2.765 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.214 3.399 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.691 5.130 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.003 4.848 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.370 4.972 -4.411 1.00 0.00 H new ATOM 183 N ASP A 12 20.419 0.854 -1.757 1.00 0.00 N ATOM 184 CA ASP A 12 20.529 0.402 -0.340 1.00 0.00 C ATOM 185 C ASP A 12 22.005 0.158 -0.029 1.00 0.00 C ATOM 186 O ASP A 12 22.483 0.462 1.046 1.00 0.00 O ATOM 187 CB ASP A 12 19.735 -0.897 -0.149 1.00 0.00 C ATOM 188 CG ASP A 12 18.398 -0.591 0.531 1.00 0.00 C ATOM 189 OD1 ASP A 12 17.860 0.477 0.286 1.00 0.00 O ATOM 190 OD2 ASP A 12 17.934 -1.430 1.285 1.00 0.00 O ATOM 0 H ASP A 12 19.942 0.205 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 12 20.125 1.160 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.562 -1.374 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.309 -1.599 0.456 1.00 0.00 H new ATOM 195 N VAL A 13 22.728 -0.374 -0.980 1.00 0.00 N ATOM 196 CA VAL A 13 24.181 -0.630 -0.774 1.00 0.00 C ATOM 197 C VAL A 13 24.905 0.710 -0.578 1.00 0.00 C ATOM 198 O VAL A 13 25.948 0.775 0.046 1.00 0.00 O ATOM 199 CB VAL A 13 24.739 -1.359 -2.000 1.00 0.00 C ATOM 200 CG1 VAL A 13 26.233 -1.638 -1.812 1.00 0.00 C ATOM 201 CG2 VAL A 13 23.996 -2.686 -2.180 1.00 0.00 C ATOM 0 H VAL A 13 22.370 -0.643 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 13 24.333 -1.249 0.110 1.00 0.00 H new ATOM 0 HB VAL A 13 24.601 -0.733 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 13 26.620 -2.157 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 13 26.766 -0.696 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 13 26.379 -2.261 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 13 24.390 -3.208 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.135 -3.304 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.933 -2.491 -2.323 1.00 0.00 H new ATOM 211 N ILE A 14 24.354 1.778 -1.104 1.00 0.00 N ATOM 212 CA ILE A 14 24.995 3.116 -0.950 1.00 0.00 C ATOM 213 C ILE A 14 24.829 3.592 0.498 1.00 0.00 C ATOM 214 O ILE A 14 25.755 4.097 1.106 1.00 0.00 O ATOM 215 CB ILE A 14 24.319 4.107 -1.913 1.00 0.00 C ATOM 216 CG1 ILE A 14 24.499 3.624 -3.362 1.00 0.00 C ATOM 217 CG2 ILE A 14 24.938 5.504 -1.759 1.00 0.00 C ATOM 218 CD1 ILE A 14 25.990 3.535 -3.719 1.00 0.00 C ATOM 0 H ILE A 14 23.483 1.777 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 14 26.058 3.053 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 14 23.257 4.161 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.030 2.648 -3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 14 23.996 4.309 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.451 6.196 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.800 5.852 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 14 26.003 5.457 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 14 26.098 3.192 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 14 26.448 4.518 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 14 26.483 2.832 -3.048 1.00 0.00 H new ATOM 230 N PHE A 15 23.654 3.431 1.048 1.00 0.00 N ATOM 231 CA PHE A 15 23.408 3.868 2.452 1.00 0.00 C ATOM 232 C PHE A 15 24.307 3.074 3.404 1.00 0.00 C ATOM 233 O PHE A 15 24.856 3.614 4.346 1.00 0.00 O ATOM 234 CB PHE A 15 21.941 3.614 2.805 1.00 0.00 C ATOM 235 CG PHE A 15 21.456 4.682 3.755 1.00 0.00 C ATOM 236 CD1 PHE A 15 21.371 6.011 3.325 1.00 0.00 C ATOM 237 CD2 PHE A 15 21.090 4.345 5.065 1.00 0.00 C ATOM 238 CE1 PHE A 15 20.920 7.004 4.202 1.00 0.00 C ATOM 239 CE2 PHE A 15 20.640 5.339 5.943 1.00 0.00 C ATOM 240 CZ PHE A 15 20.555 6.668 5.511 1.00 0.00 C ATOM 0 H PHE A 15 22.850 3.013 0.581 1.00 0.00 H new ATOM 0 HA PHE A 15 23.633 4.930 2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.333 3.615 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 15 21.831 2.630 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 15 21.654 6.271 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 15 21.155 3.319 5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 15 20.854 8.029 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 15 20.359 5.080 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 15 20.208 7.434 6.188 1.00 0.00 H new ATOM 250 N ILE A 16 24.458 1.796 3.162 1.00 0.00 N ATOM 251 CA ILE A 16 25.320 0.957 4.047 1.00 0.00 C ATOM 252 C ILE A 16 26.798 1.256 3.762 1.00 0.00 C ATOM 253 O ILE A 16 27.650 1.041 4.602 1.00 0.00 O ATOM 254 CB ILE A 16 25.036 -0.527 3.781 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.524 -0.796 3.878 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.786 -1.394 4.803 1.00 0.00 C ATOM 257 CD1 ILE A 16 23.003 -0.447 5.280 1.00 0.00 C ATOM 0 H ILE A 16 24.020 1.297 2.388 1.00 0.00 H new ATOM 0 HA ILE A 16 25.100 1.188 5.089 1.00 0.00 H new ATOM 0 HB ILE A 16 25.380 -0.780 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.995 -0.205 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.321 -1.844 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.580 -2.446 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.857 -1.212 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.454 -1.139 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.932 -0.644 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 16 23.519 -1.057 6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 16 23.188 0.607 5.485 1.00 0.00 H new ATOM 269 N TYR A 17 27.108 1.749 2.587 1.00 0.00 N ATOM 270 CA TYR A 17 28.530 2.062 2.253 1.00 0.00 C ATOM 271 C TYR A 17 29.039 3.177 3.172 1.00 0.00 C ATOM 272 O TYR A 17 30.181 3.180 3.585 1.00 0.00 O ATOM 273 CB TYR A 17 28.621 2.528 0.796 1.00 0.00 C ATOM 274 CG TYR A 17 29.921 2.053 0.190 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.983 0.809 -0.450 1.00 0.00 C ATOM 276 CD2 TYR A 17 31.064 2.858 0.265 1.00 0.00 C ATOM 277 CE1 TYR A 17 31.188 0.369 -1.012 1.00 0.00 C ATOM 278 CE2 TYR A 17 32.269 2.418 -0.297 1.00 0.00 C ATOM 279 CZ TYR A 17 32.331 1.175 -0.936 1.00 0.00 C ATOM 280 OH TYR A 17 33.518 0.742 -1.490 1.00 0.00 O ATOM 0 H TYR A 17 26.436 1.948 1.846 1.00 0.00 H new ATOM 0 HA TYR A 17 29.139 1.168 2.391 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.778 2.137 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.562 3.615 0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.101 0.189 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 17 31.016 3.819 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.236 -0.591 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 17 33.151 3.039 -0.237 1.00 0.00 H new ATOM 0 HH TYR A 17 34.211 1.421 -1.350 1.00 0.00 H new ATOM 290 N PHE A 18 28.195 4.126 3.484 1.00 0.00 N ATOM 291 CA PHE A 18 28.611 5.257 4.367 1.00 0.00 C ATOM 292 C PHE A 18 28.460 4.861 5.836 1.00 0.00 C ATOM 293 O PHE A 18 29.223 5.275 6.684 1.00 0.00 O ATOM 294 CB PHE A 18 27.705 6.456 4.089 1.00 0.00 C ATOM 295 CG PHE A 18 28.451 7.740 4.364 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.782 8.088 5.679 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.806 8.587 3.306 1.00 0.00 C ATOM 298 CE1 PHE A 18 29.468 9.281 5.937 1.00 0.00 C ATOM 299 CE2 PHE A 18 29.490 9.781 3.564 1.00 0.00 C ATOM 300 CZ PHE A 18 29.822 10.127 4.879 1.00 0.00 C ATOM 0 H PHE A 18 27.228 4.166 3.162 1.00 0.00 H new ATOM 0 HA PHE A 18 29.653 5.506 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.369 6.436 3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.814 6.402 4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.508 7.436 6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.552 8.319 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 18 29.724 9.549 6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 18 29.761 10.435 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.352 11.047 5.078 1.00 0.00 H new ATOM 310 N ALA A 19 27.460 4.084 6.135 1.00 0.00 N ATOM 311 CA ALA A 19 27.207 3.666 7.547 1.00 0.00 C ATOM 312 C ALA A 19 28.392 2.876 8.114 1.00 0.00 C ATOM 313 O ALA A 19 28.964 3.235 9.126 1.00 0.00 O ATOM 314 CB ALA A 19 25.960 2.781 7.581 1.00 0.00 C ATOM 0 H ALA A 19 26.796 3.714 5.455 1.00 0.00 H new ATOM 0 HA ALA A 19 27.067 4.560 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.764 2.468 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.105 3.342 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 19 26.121 1.901 6.958 1.00 0.00 H new ATOM 320 N ALA A 20 28.731 1.784 7.489 1.00 0.00 N ATOM 321 CA ALA A 20 29.845 0.923 7.992 1.00 0.00 C ATOM 322 C ALA A 20 31.196 1.638 7.911 1.00 0.00 C ATOM 323 O ALA A 20 31.935 1.700 8.875 1.00 0.00 O ATOM 324 CB ALA A 20 29.912 -0.342 7.138 1.00 0.00 C ATOM 0 H ALA A 20 28.280 1.444 6.640 1.00 0.00 H new ATOM 0 HA ALA A 20 29.645 0.686 9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 20 30.721 -0.979 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.967 -0.880 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 20 30.096 -0.070 6.099 1.00 0.00 H new ATOM 330 N LEU A 21 31.538 2.126 6.756 1.00 0.00 N ATOM 331 CA LEU A 21 32.864 2.796 6.570 1.00 0.00 C ATOM 332 C LEU A 21 32.928 4.157 7.284 1.00 0.00 C ATOM 333 O LEU A 21 33.991 4.731 7.406 1.00 0.00 O ATOM 334 CB LEU A 21 33.107 3.001 5.070 1.00 0.00 C ATOM 335 CG LEU A 21 34.047 1.914 4.539 1.00 0.00 C ATOM 336 CD1 LEU A 21 33.370 0.547 4.654 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.372 2.197 3.069 1.00 0.00 C ATOM 0 H LEU A 21 30.954 2.092 5.920 1.00 0.00 H new ATOM 0 HA LEU A 21 33.631 2.157 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.160 2.969 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.540 3.986 4.894 1.00 0.00 H new ATOM 0 HG LEU A 21 34.966 1.913 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.041 -0.224 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.136 0.344 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.450 0.546 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 21 35.041 1.425 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.451 2.198 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.856 3.170 2.984 1.00 0.00 H new ATOM 349 N SER A 22 31.822 4.691 7.738 1.00 0.00 N ATOM 350 CA SER A 22 31.869 6.030 8.416 1.00 0.00 C ATOM 351 C SER A 22 32.784 5.971 9.660 1.00 0.00 C ATOM 352 O SER A 22 33.772 6.675 9.716 1.00 0.00 O ATOM 353 CB SER A 22 30.445 6.465 8.805 1.00 0.00 C ATOM 354 OG SER A 22 30.477 7.272 9.980 1.00 0.00 O ATOM 0 H SER A 22 30.897 4.267 7.672 1.00 0.00 H new ATOM 0 HA SER A 22 32.283 6.766 7.727 1.00 0.00 H new ATOM 0 HB2 SER A 22 29.991 7.022 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 22 29.823 5.586 8.976 1.00 0.00 H new ATOM 0 HG SER A 22 29.565 7.543 10.216 1.00 0.00 H new ATOM 360 N PRO A 23 32.437 5.145 10.622 1.00 0.00 N ATOM 361 CA PRO A 23 33.197 4.953 11.914 1.00 0.00 C ATOM 362 C PRO A 23 34.513 4.220 11.674 1.00 0.00 C ATOM 363 O PRO A 23 35.579 4.704 11.997 1.00 0.00 O ATOM 364 CB PRO A 23 32.298 4.116 12.809 1.00 0.00 C ATOM 365 CG PRO A 23 31.355 3.375 11.896 1.00 0.00 C ATOM 366 CD PRO A 23 31.233 4.228 10.639 1.00 0.00 C ATOM 0 HA PRO A 23 33.443 5.915 12.364 1.00 0.00 H new ATOM 0 HB2 PRO A 23 32.886 3.420 13.407 1.00 0.00 H new ATOM 0 HB3 PRO A 23 31.747 4.748 13.505 1.00 0.00 H new ATOM 0 HG2 PRO A 23 31.740 2.383 11.659 1.00 0.00 H new ATOM 0 HG3 PRO A 23 30.383 3.235 12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 23 31.209 3.602 9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 23 30.307 4.804 10.649 1.00 0.00 H new ATOM 374 N ALA A 24 34.428 3.040 11.130 1.00 0.00 N ATOM 375 CA ALA A 24 35.648 2.204 10.866 1.00 0.00 C ATOM 376 C ALA A 24 36.772 3.033 10.223 1.00 0.00 C ATOM 377 O ALA A 24 37.940 2.739 10.397 1.00 0.00 O ATOM 378 CB ALA A 24 35.272 1.059 9.926 1.00 0.00 C ATOM 0 H ALA A 24 33.550 2.604 10.849 1.00 0.00 H new ATOM 0 HA ALA A 24 36.011 1.819 11.819 1.00 0.00 H new ATOM 0 HB1 ALA A 24 36.152 0.447 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 24 34.500 0.446 10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 24 34.896 1.467 8.988 1.00 0.00 H new ATOM 384 N ILE A 25 36.428 4.060 9.490 1.00 0.00 N ATOM 385 CA ILE A 25 37.478 4.904 8.842 1.00 0.00 C ATOM 386 C ILE A 25 38.283 5.625 9.942 1.00 0.00 C ATOM 387 O ILE A 25 39.499 5.585 9.954 1.00 0.00 O ATOM 388 CB ILE A 25 36.790 5.893 7.848 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.987 5.381 6.412 1.00 0.00 C ATOM 390 CG2 ILE A 25 37.369 7.320 7.931 1.00 0.00 C ATOM 391 CD1 ILE A 25 36.346 3.998 6.244 1.00 0.00 C ATOM 0 H ILE A 25 35.467 4.351 9.312 1.00 0.00 H new ATOM 0 HA ILE A 25 38.178 4.299 8.266 1.00 0.00 H new ATOM 0 HB ILE A 25 35.736 5.939 8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.544 6.082 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 25 38.051 5.326 6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.853 7.964 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 25 37.231 7.711 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.433 7.295 7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 25 36.494 3.650 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 25 36.809 3.296 6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 25 35.278 4.064 6.453 1.00 0.00 H new ATOM 403 N THR A 26 37.611 6.283 10.853 1.00 0.00 N ATOM 404 CA THR A 26 38.333 7.009 11.941 1.00 0.00 C ATOM 405 C THR A 26 38.968 6.003 12.904 1.00 0.00 C ATOM 406 O THR A 26 40.177 5.918 13.015 1.00 0.00 O ATOM 407 CB THR A 26 37.347 7.892 12.709 1.00 0.00 C ATOM 408 OG1 THR A 26 36.525 8.595 11.788 1.00 0.00 O ATOM 409 CG2 THR A 26 38.120 8.892 13.573 1.00 0.00 C ATOM 0 H THR A 26 36.594 6.349 10.890 1.00 0.00 H new ATOM 0 HA THR A 26 39.113 7.629 11.500 1.00 0.00 H new ATOM 0 HB THR A 26 36.723 7.268 13.349 1.00 0.00 H new ATOM 0 HG1 THR A 26 35.892 9.159 12.279 1.00 0.00 H new ATOM 0 HG21 THR A 26 37.417 9.520 14.120 1.00 0.00 H new ATOM 0 HG22 THR A 26 38.749 8.352 14.280 1.00 0.00 H new ATOM 0 HG23 THR A 26 38.745 9.517 12.935 1.00 0.00 H new