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 85:sc= 0.912 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 53:sc= 0.649 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0385 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 14.028 9.004 1.599 1.00 0.00 N ATOM 109 CA LEU A 7 14.610 8.198 2.716 1.00 0.00 C ATOM 110 C LEU A 7 14.878 6.758 2.260 1.00 0.00 C ATOM 111 O LEU A 7 15.771 6.101 2.761 1.00 0.00 O ATOM 112 CB LEU A 7 13.634 8.188 3.899 1.00 0.00 C ATOM 113 CG LEU A 7 14.410 8.380 5.204 1.00 0.00 C ATOM 114 CD1 LEU A 7 13.482 8.952 6.277 1.00 0.00 C ATOM 115 CD2 LEU A 7 14.959 7.031 5.672 1.00 0.00 C ATOM 0 HA LEU A 7 15.555 8.649 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.896 8.982 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.087 7.246 3.924 1.00 0.00 H new ATOM 0 HG LEU A 7 15.235 9.072 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.038 9.087 7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.091 9.914 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.655 8.263 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.512 7.166 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.133 6.340 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.624 6.625 4.910 1.00 0.00 H new ATOM 127 N SER A 8 14.112 6.264 1.323 1.00 0.00 N ATOM 128 CA SER A 8 14.319 4.866 0.842 1.00 0.00 C ATOM 129 C SER A 8 15.630 4.777 0.056 1.00 0.00 C ATOM 130 O SER A 8 16.285 3.752 0.036 1.00 0.00 O ATOM 131 CB SER A 8 13.155 4.467 -0.064 1.00 0.00 C ATOM 132 OG SER A 8 13.355 3.139 -0.526 1.00 0.00 O ATOM 0 H SER A 8 13.351 6.769 0.869 1.00 0.00 H new ATOM 0 HA SER A 8 14.367 4.192 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.214 4.537 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.085 5.152 -0.909 1.00 0.00 H new ATOM 0 HG SER A 8 12.609 2.879 -1.106 1.00 0.00 H new ATOM 138 N ASP A 9 16.006 5.842 -0.601 1.00 0.00 N ATOM 139 CA ASP A 9 17.263 5.833 -1.405 1.00 0.00 C ATOM 140 C ASP A 9 18.490 5.914 -0.488 1.00 0.00 C ATOM 141 O ASP A 9 19.472 5.233 -0.708 1.00 0.00 O ATOM 142 CB ASP A 9 17.261 7.030 -2.357 1.00 0.00 C ATOM 143 CG ASP A 9 18.321 6.824 -3.440 1.00 0.00 C ATOM 144 OD1 ASP A 9 18.191 5.874 -4.195 1.00 0.00 O ATOM 145 OD2 ASP A 9 19.242 7.621 -3.498 1.00 0.00 O ATOM 0 H ASP A 9 15.493 6.723 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 9 17.311 4.904 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.278 7.143 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.464 7.947 -1.805 1.00 0.00 H new ATOM 150 N ILE A 10 18.448 6.741 0.528 1.00 0.00 N ATOM 151 CA ILE A 10 19.623 6.864 1.449 1.00 0.00 C ATOM 152 C ILE A 10 19.853 5.518 2.158 1.00 0.00 C ATOM 153 O ILE A 10 20.981 5.121 2.384 1.00 0.00 O ATOM 154 CB ILE A 10 19.352 7.990 2.474 1.00 0.00 C ATOM 155 CG1 ILE A 10 19.485 9.348 1.777 1.00 0.00 C ATOM 156 CG2 ILE A 10 20.361 7.940 3.634 1.00 0.00 C ATOM 157 CD1 ILE A 10 18.164 9.717 1.104 1.00 0.00 C ATOM 0 H ILE A 10 17.652 7.336 0.760 1.00 0.00 H new ATOM 0 HA ILE A 10 20.521 7.118 0.885 1.00 0.00 H new ATOM 0 HB ILE A 10 18.347 7.852 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 10 19.760 10.114 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.283 9.310 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.146 8.743 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 10 20.282 6.980 4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 10 21.371 8.062 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 10 18.265 10.683 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.907 8.957 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 10 17.376 9.774 1.855 1.00 0.00 H new ATOM 169 N THR A 11 18.801 4.824 2.510 1.00 0.00 N ATOM 170 CA THR A 11 18.968 3.513 3.206 1.00 0.00 C ATOM 171 C THR A 11 19.544 2.485 2.228 1.00 0.00 C ATOM 172 O THR A 11 20.245 1.570 2.620 1.00 0.00 O ATOM 173 CB THR A 11 17.610 3.026 3.721 1.00 0.00 C ATOM 174 OG1 THR A 11 16.782 4.147 4.004 1.00 0.00 O ATOM 175 CG2 THR A 11 17.812 2.202 4.994 1.00 0.00 C ATOM 0 H THR A 11 17.835 5.108 2.346 1.00 0.00 H new ATOM 0 HA THR A 11 19.650 3.635 4.048 1.00 0.00 H new ATOM 0 HB THR A 11 17.133 2.406 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.330 4.435 3.184 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.846 1.856 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.446 1.343 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.288 2.820 5.755 1.00 0.00 H new ATOM 183 N ASP A 12 19.253 2.629 0.960 1.00 0.00 N ATOM 184 CA ASP A 12 19.778 1.664 -0.051 1.00 0.00 C ATOM 185 C ASP A 12 21.263 1.942 -0.310 1.00 0.00 C ATOM 186 O ASP A 12 22.022 1.045 -0.623 1.00 0.00 O ATOM 187 CB ASP A 12 18.988 1.815 -1.359 1.00 0.00 C ATOM 188 CG ASP A 12 18.006 0.650 -1.510 1.00 0.00 C ATOM 189 OD1 ASP A 12 16.891 0.774 -1.028 1.00 0.00 O ATOM 190 OD2 ASP A 12 18.385 -0.346 -2.105 1.00 0.00 O ATOM 0 H ASP A 12 18.672 3.377 0.581 1.00 0.00 H new ATOM 0 HA ASP A 12 19.665 0.648 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.447 2.761 -1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.672 1.838 -2.207 1.00 0.00 H new ATOM 195 N VAL A 13 21.680 3.177 -0.184 1.00 0.00 N ATOM 196 CA VAL A 13 23.113 3.514 -0.423 1.00 0.00 C ATOM 197 C VAL A 13 23.949 3.046 0.772 1.00 0.00 C ATOM 198 O VAL A 13 25.103 2.689 0.630 1.00 0.00 O ATOM 199 CB VAL A 13 23.259 5.028 -0.611 1.00 0.00 C ATOM 200 CG1 VAL A 13 24.725 5.376 -0.898 1.00 0.00 C ATOM 201 CG2 VAL A 13 22.388 5.485 -1.790 1.00 0.00 C ATOM 0 H VAL A 13 21.088 3.966 0.074 1.00 0.00 H new ATOM 0 HA VAL A 13 23.465 3.011 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 13 22.938 5.535 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.824 6.453 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 13 25.346 5.055 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.049 4.867 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 13 22.492 6.562 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 13 22.708 4.974 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.345 5.244 -1.587 1.00 0.00 H new ATOM 211 N ILE A 14 23.369 3.039 1.944 1.00 0.00 N ATOM 212 CA ILE A 14 24.118 2.587 3.153 1.00 0.00 C ATOM 213 C ILE A 14 24.258 1.061 3.114 1.00 0.00 C ATOM 214 O ILE A 14 25.269 0.510 3.512 1.00 0.00 O ATOM 215 CB ILE A 14 23.351 3.020 4.408 1.00 0.00 C ATOM 216 CG1 ILE A 14 23.245 4.546 4.426 1.00 0.00 C ATOM 217 CG2 ILE A 14 24.092 2.552 5.666 1.00 0.00 C ATOM 218 CD1 ILE A 14 22.180 4.975 5.436 1.00 0.00 C ATOM 0 H ILE A 14 22.406 3.328 2.116 1.00 0.00 H new ATOM 0 HA ILE A 14 25.112 3.035 3.172 1.00 0.00 H new ATOM 0 HB ILE A 14 22.356 2.574 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.208 4.984 4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.988 4.914 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 14 23.539 2.865 6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.176 1.465 5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.089 2.993 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.106 6.062 5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.218 4.549 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.456 4.620 6.429 1.00 0.00 H new ATOM 230 N PHE A 15 23.251 0.380 2.630 1.00 0.00 N ATOM 231 CA PHE A 15 23.314 -1.109 2.553 1.00 0.00 C ATOM 232 C PHE A 15 24.432 -1.516 1.592 1.00 0.00 C ATOM 233 O PHE A 15 25.190 -2.428 1.860 1.00 0.00 O ATOM 234 CB PHE A 15 21.978 -1.651 2.045 1.00 0.00 C ATOM 235 CG PHE A 15 21.894 -3.131 2.336 1.00 0.00 C ATOM 236 CD1 PHE A 15 22.607 -4.040 1.546 1.00 0.00 C ATOM 237 CD2 PHE A 15 21.105 -3.594 3.397 1.00 0.00 C ATOM 238 CE1 PHE A 15 22.531 -5.412 1.816 1.00 0.00 C ATOM 239 CE2 PHE A 15 21.029 -4.966 3.667 1.00 0.00 C ATOM 240 CZ PHE A 15 21.742 -5.874 2.876 1.00 0.00 C ATOM 0 H PHE A 15 22.385 0.793 2.284 1.00 0.00 H new ATOM 0 HA PHE A 15 23.516 -1.519 3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.153 -1.127 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 15 21.885 -1.474 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 15 23.216 -3.683 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 15 20.555 -2.893 4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.081 -6.114 1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 15 20.421 -5.323 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 15 21.683 -6.932 3.084 1.00 0.00 H new ATOM 250 N ILE A 16 24.540 -0.838 0.477 1.00 0.00 N ATOM 251 CA ILE A 16 25.611 -1.170 -0.508 1.00 0.00 C ATOM 252 C ILE A 16 26.960 -0.647 0.002 1.00 0.00 C ATOM 253 O ILE A 16 28.005 -1.136 -0.382 1.00 0.00 O ATOM 254 CB ILE A 16 25.282 -0.515 -1.854 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.891 -0.960 -2.309 1.00 0.00 C ATOM 256 CG2 ILE A 16 26.314 -0.940 -2.901 1.00 0.00 C ATOM 257 CD1 ILE A 16 23.436 -0.092 -3.484 1.00 0.00 C ATOM 0 H ILE A 16 23.930 -0.067 0.207 1.00 0.00 H new ATOM 0 HA ILE A 16 25.669 -2.251 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 16 25.304 0.569 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.912 -2.009 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.183 -0.875 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.077 -0.472 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 16 27.308 -0.627 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 16 26.294 -2.024 -3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.445 -0.409 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 16 23.399 0.952 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 16 24.139 -0.200 -4.310 1.00 0.00 H new ATOM 269 N TYR A 17 26.945 0.344 0.863 1.00 0.00 N ATOM 270 CA TYR A 17 28.223 0.903 1.397 1.00 0.00 C ATOM 271 C TYR A 17 28.997 -0.192 2.138 1.00 0.00 C ATOM 272 O TYR A 17 30.197 -0.321 1.991 1.00 0.00 O ATOM 273 CB TYR A 17 27.907 2.051 2.364 1.00 0.00 C ATOM 274 CG TYR A 17 28.920 3.160 2.195 1.00 0.00 C ATOM 275 CD1 TYR A 17 30.290 2.877 2.269 1.00 0.00 C ATOM 276 CD2 TYR A 17 28.489 4.473 1.968 1.00 0.00 C ATOM 277 CE1 TYR A 17 31.226 3.905 2.114 1.00 0.00 C ATOM 278 CE2 TYR A 17 29.426 5.501 1.813 1.00 0.00 C ATOM 279 CZ TYR A 17 30.795 5.217 1.886 1.00 0.00 C ATOM 280 OH TYR A 17 31.719 6.229 1.733 1.00 0.00 O ATOM 0 H TYR A 17 26.099 0.789 1.218 1.00 0.00 H new ATOM 0 HA TYR A 17 28.830 1.275 0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 17 26.903 2.432 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.921 1.687 3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.624 1.865 2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.433 4.692 1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 17 32.282 3.686 2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.093 6.513 1.637 1.00 0.00 H new ATOM 0 HH TYR A 17 31.253 7.077 1.581 1.00 0.00 H new ATOM 290 N PHE A 18 28.317 -0.976 2.935 1.00 0.00 N ATOM 291 CA PHE A 18 29.006 -2.059 3.695 1.00 0.00 C ATOM 292 C PHE A 18 29.042 -3.345 2.863 1.00 0.00 C ATOM 293 O PHE A 18 29.927 -4.163 3.016 1.00 0.00 O ATOM 294 CB PHE A 18 28.257 -2.318 5.004 1.00 0.00 C ATOM 295 CG PHE A 18 28.885 -1.508 6.113 1.00 0.00 C ATOM 296 CD1 PHE A 18 30.026 -1.985 6.770 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.329 -0.277 6.481 1.00 0.00 C ATOM 298 CE1 PHE A 18 30.610 -1.232 7.795 1.00 0.00 C ATOM 299 CE2 PHE A 18 28.914 0.477 7.506 1.00 0.00 C ATOM 300 CZ PHE A 18 30.054 0.000 8.163 1.00 0.00 C ATOM 0 H PHE A 18 27.311 -0.911 3.092 1.00 0.00 H new ATOM 0 HA PHE A 18 30.028 -1.748 3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.206 -2.049 4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.291 -3.379 5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 18 30.455 -2.934 6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.449 0.091 5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 18 31.489 -1.601 8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.485 1.427 7.790 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.505 0.582 8.953 1.00 0.00 H new ATOM 310 N ALA A 19 28.085 -3.528 1.988 1.00 0.00 N ATOM 311 CA ALA A 19 28.048 -4.761 1.139 1.00 0.00 C ATOM 312 C ALA A 19 29.352 -4.896 0.350 1.00 0.00 C ATOM 313 O ALA A 19 30.014 -5.914 0.384 1.00 0.00 O ATOM 314 CB ALA A 19 26.886 -4.649 0.150 1.00 0.00 C ATOM 0 H ALA A 19 27.322 -2.872 1.823 1.00 0.00 H new ATOM 0 HA ALA A 19 27.921 -5.633 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 19 26.851 -5.543 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.949 -4.552 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 19 27.029 -3.772 -0.481 1.00 0.00 H new ATOM 320 N ALA A 20 29.707 -3.870 -0.369 1.00 0.00 N ATOM 321 CA ALA A 20 30.955 -3.898 -1.191 1.00 0.00 C ATOM 322 C ALA A 20 32.176 -4.194 -0.318 1.00 0.00 C ATOM 323 O ALA A 20 32.989 -5.038 -0.636 1.00 0.00 O ATOM 324 CB ALA A 20 31.144 -2.530 -1.841 1.00 0.00 C ATOM 0 H ALA A 20 29.180 -2.999 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 20 30.861 -4.680 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.052 -2.536 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.287 -2.308 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.228 -1.768 -1.066 1.00 0.00 H new ATOM 330 N LEU A 21 32.318 -3.471 0.754 1.00 0.00 N ATOM 331 CA LEU A 21 33.499 -3.653 1.659 1.00 0.00 C ATOM 332 C LEU A 21 33.323 -4.854 2.605 1.00 0.00 C ATOM 333 O LEU A 21 34.190 -5.141 3.399 1.00 0.00 O ATOM 334 CB LEU A 21 33.657 -2.391 2.503 1.00 0.00 C ATOM 335 CG LEU A 21 34.690 -1.463 1.860 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.165 -0.967 0.512 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.942 -0.268 2.781 1.00 0.00 C ATOM 0 H LEU A 21 31.661 -2.750 1.051 1.00 0.00 H new ATOM 0 HA LEU A 21 34.377 -3.837 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.699 -1.879 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.971 -2.655 3.513 1.00 0.00 H new ATOM 0 HG LEU A 21 35.622 -2.008 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.902 -0.306 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.985 -1.819 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.233 -0.422 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 21 35.678 0.394 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 21 34.010 0.276 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 21 35.318 -0.621 3.741 1.00 0.00 H new ATOM 349 N SER A 22 32.216 -5.541 2.546 1.00 0.00 N ATOM 350 CA SER A 22 31.986 -6.714 3.465 1.00 0.00 C ATOM 351 C SER A 22 33.201 -7.675 3.508 1.00 0.00 C ATOM 352 O SER A 22 33.612 -8.072 4.580 1.00 0.00 O ATOM 353 CB SER A 22 30.753 -7.490 3.003 1.00 0.00 C ATOM 354 OG SER A 22 29.603 -6.982 3.668 1.00 0.00 O ATOM 0 H SER A 22 31.451 -5.346 1.900 1.00 0.00 H new ATOM 0 HA SER A 22 31.839 -6.317 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 22 30.634 -7.397 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 22 30.874 -8.551 3.220 1.00 0.00 H new ATOM 0 HG SER A 22 29.558 -6.011 3.547 1.00 0.00 H new ATOM 360 N PRO A 23 33.735 -8.039 2.359 1.00 0.00 N ATOM 361 CA PRO A 23 34.906 -8.979 2.211 1.00 0.00 C ATOM 362 C PRO A 23 36.227 -8.265 2.493 1.00 0.00 C ATOM 363 O PRO A 23 36.971 -8.633 3.380 1.00 0.00 O ATOM 364 CB PRO A 23 34.876 -9.458 0.769 1.00 0.00 C ATOM 365 CG PRO A 23 34.128 -8.415 -0.023 1.00 0.00 C ATOM 366 CD PRO A 23 33.309 -7.602 0.976 1.00 0.00 C ATOM 0 HA PRO A 23 34.833 -9.804 2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 23 35.887 -9.584 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 23 34.383 -10.427 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 23 34.821 -7.773 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 23 33.479 -8.884 -0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 23 33.483 -6.535 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 23 32.242 -7.773 0.829 1.00 0.00 H new ATOM 374 N ALA A 24 36.526 -7.263 1.719 1.00 0.00 N ATOM 375 CA ALA A 24 37.810 -6.502 1.886 1.00 0.00 C ATOM 376 C ALA A 24 38.057 -6.125 3.357 1.00 0.00 C ATOM 377 O ALA A 24 39.187 -5.970 3.782 1.00 0.00 O ATOM 378 CB ALA A 24 37.737 -5.223 1.052 1.00 0.00 C ATOM 0 H ALA A 24 35.930 -6.927 0.962 1.00 0.00 H new ATOM 0 HA ALA A 24 38.631 -7.138 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 24 38.664 -4.661 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.595 -5.481 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.900 -4.614 1.393 1.00 0.00 H new ATOM 384 N ILE A 25 37.013 -5.973 4.127 1.00 0.00 N ATOM 385 CA ILE A 25 37.181 -5.600 5.565 1.00 0.00 C ATOM 386 C ILE A 25 37.656 -6.830 6.355 1.00 0.00 C ATOM 387 O ILE A 25 38.545 -6.736 7.180 1.00 0.00 O ATOM 388 CB ILE A 25 35.839 -5.066 6.111 1.00 0.00 C ATOM 389 CG1 ILE A 25 35.564 -3.684 5.489 1.00 0.00 C ATOM 390 CG2 ILE A 25 35.880 -4.933 7.644 1.00 0.00 C ATOM 391 CD1 ILE A 25 36.649 -2.679 5.903 1.00 0.00 C ATOM 0 H ILE A 25 36.047 -6.091 3.822 1.00 0.00 H new ATOM 0 HA ILE A 25 37.930 -4.816 5.670 1.00 0.00 H new ATOM 0 HB ILE A 25 35.049 -5.769 5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 25 35.534 -3.768 4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 25 34.586 -3.324 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 25 34.922 -4.555 8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.074 -5.909 8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 25 36.673 -4.241 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 25 36.437 -1.709 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 25 36.659 -2.581 6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 25 37.622 -3.032 5.561 1.00 0.00 H new ATOM 403 N THR A 26 37.076 -7.980 6.108 1.00 0.00 N ATOM 404 CA THR A 26 37.499 -9.218 6.840 1.00 0.00 C ATOM 405 C THR A 26 39.016 -9.403 6.706 1.00 0.00 C ATOM 406 O THR A 26 39.718 -9.578 7.685 1.00 0.00 O ATOM 407 CB THR A 26 36.783 -10.432 6.242 1.00 0.00 C ATOM 408 OG1 THR A 26 35.435 -10.086 5.950 1.00 0.00 O ATOM 409 CG2 THR A 26 36.811 -11.589 7.241 1.00 0.00 C ATOM 0 H THR A 26 36.326 -8.116 5.430 1.00 0.00 H new ATOM 0 HA THR A 26 37.238 -9.122 7.894 1.00 0.00 H new ATOM 0 HB THR A 26 37.288 -10.737 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 26 34.974 -10.861 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 26 36.301 -12.452 6.813 1.00 0.00 H new ATOM 0 HG22 THR A 26 37.845 -11.853 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 26 36.307 -11.289 8.160 1.00 0.00 H new