USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 199 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 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 7.251 9.178 5.099 1.00 0.00 N ATOM 136 CA ALA A 10 6.824 10.534 5.421 1.00 0.00 C ATOM 137 C ALA A 10 5.675 10.524 6.423 1.00 0.00 C ATOM 138 O ALA A 10 5.715 11.223 7.436 1.00 0.00 O ATOM 139 CB ALA A 10 6.416 11.273 4.155 1.00 0.00 C ATOM 0 HA ALA A 10 7.665 11.055 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.099 12.284 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.264 11.320 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.592 10.745 3.675 1.00 0.00 H new ATOM 145 N VAL A 11 4.650 9.729 6.134 1.00 0.00 N ATOM 146 CA VAL A 11 3.489 9.628 7.010 1.00 0.00 C ATOM 147 C VAL A 11 3.860 8.985 8.342 1.00 0.00 C ATOM 148 O VAL A 11 3.426 9.436 9.402 1.00 0.00 O ATOM 149 CB VAL A 11 2.360 8.810 6.355 1.00 0.00 C ATOM 150 CG1 VAL A 11 2.859 7.426 5.967 1.00 0.00 C ATOM 151 CG2 VAL A 11 1.163 8.712 7.288 1.00 0.00 C ATOM 0 H VAL A 11 4.600 9.145 5.299 1.00 0.00 H new ATOM 0 HA VAL A 11 3.136 10.644 7.186 1.00 0.00 H new ATOM 0 HB VAL A 11 2.043 9.323 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.048 6.863 5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.683 7.521 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.205 6.901 6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.375 8.131 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.463 8.222 8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.792 9.713 7.510 1.00 0.00 H new ATOM 161 N ILE A 12 4.665 7.930 8.279 1.00 0.00 N ATOM 162 CA ILE A 12 5.096 7.226 9.481 1.00 0.00 C ATOM 163 C ILE A 12 5.937 8.130 10.375 1.00 0.00 C ATOM 164 O ILE A 12 5.705 8.218 11.581 1.00 0.00 O ATOM 165 CB ILE A 12 5.909 5.965 9.134 1.00 0.00 C ATOM 166 CG1 ILE A 12 4.990 4.877 8.574 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.652 5.459 10.361 1.00 0.00 C ATOM 168 CD1 ILE A 12 4.034 4.308 9.599 1.00 0.00 C ATOM 0 H ILE A 12 5.032 7.544 7.409 1.00 0.00 H new ATOM 0 HA ILE A 12 4.193 6.930 10.015 1.00 0.00 H new ATOM 0 HB ILE A 12 6.643 6.223 8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.417 5.289 7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.600 4.069 8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.222 4.567 10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.332 6.232 10.719 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.935 5.214 11.145 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.414 3.543 9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.600 3.866 10.419 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.398 5.105 9.985 1.00 0.00 H new ATOM 180 N ALA A 13 6.915 8.802 9.776 1.00 0.00 N ATOM 181 CA ALA A 13 7.789 9.702 10.518 1.00 0.00 C ATOM 182 C ALA A 13 6.996 10.842 11.148 1.00 0.00 C ATOM 183 O ALA A 13 7.218 11.200 12.304 1.00 0.00 O ATOM 184 CB ALA A 13 8.875 10.254 9.605 1.00 0.00 C ATOM 0 H ALA A 13 7.122 8.740 8.779 1.00 0.00 H new ATOM 0 HA ALA A 13 8.258 9.133 11.321 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.521 10.925 10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.468 9.431 9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.415 10.802 8.783 1.00 0.00 H new ATOM 190 N GLY A 14 6.070 11.408 10.379 1.00 0.00 N ATOM 191 CA GLY A 14 5.259 12.502 10.880 1.00 0.00 C ATOM 192 C GLY A 14 4.366 12.083 12.031 1.00 0.00 C ATOM 193 O GLY A 14 4.144 12.851 12.966 1.00 0.00 O ATOM 0 H GLY A 14 5.868 11.128 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.910 13.313 11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.643 12.894 10.071 1.00 0.00 H new ATOM 197 N GLY A 15 3.851 10.858 11.963 1.00 0.00 N ATOM 198 CA GLY A 15 2.982 10.360 13.013 1.00 0.00 C ATOM 199 C GLY A 15 3.729 10.090 14.304 1.00 0.00 C ATOM 200 O GLY A 15 3.230 10.380 15.391 1.00 0.00 O ATOM 0 H GLY A 15 4.020 10.203 11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.190 11.086 13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.500 9.442 12.677 1.00 0.00 H new ATOM 204 N VAL A 16 4.929 9.529 14.186 1.00 0.00 N ATOM 205 CA VAL A 16 5.746 9.219 15.353 1.00 0.00 C ATOM 206 C VAL A 16 6.196 10.490 16.063 1.00 0.00 C ATOM 207 O VAL A 16 6.058 10.616 17.280 1.00 0.00 O ATOM 208 CB VAL A 16 6.987 8.393 14.966 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.833 8.093 16.193 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.574 7.108 14.265 1.00 0.00 C ATOM 0 H VAL A 16 5.356 9.280 13.294 1.00 0.00 H new ATOM 0 HA VAL A 16 5.123 8.631 16.028 1.00 0.00 H new ATOM 0 HB VAL A 16 7.591 8.979 14.273 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.705 7.509 15.900 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.159 9.028 16.648 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.242 7.526 16.913 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.463 6.537 13.999 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.948 6.515 14.932 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.014 7.350 13.362 1.00 0.00 H new ATOM 220 N ILE A 17 6.734 11.432 15.295 1.00 0.00 N ATOM 221 CA ILE A 17 7.203 12.695 15.850 1.00 0.00 C ATOM 222 C ILE A 17 6.046 13.509 16.418 1.00 0.00 C ATOM 223 O ILE A 17 6.164 14.116 17.482 1.00 0.00 O ATOM 224 CB ILE A 17 7.937 13.538 14.790 1.00 0.00 C ATOM 225 CG1 ILE A 17 7.042 13.753 13.569 1.00 0.00 C ATOM 226 CG2 ILE A 17 9.240 12.863 14.387 1.00 0.00 C ATOM 227 CD1 ILE A 17 6.339 15.093 13.563 1.00 0.00 C ATOM 0 H ILE A 17 6.856 11.344 14.286 1.00 0.00 H new ATOM 0 HA ILE A 17 7.899 12.448 16.652 1.00 0.00 H new ATOM 0 HB ILE A 17 8.172 14.512 15.220 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.646 13.665 12.666 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.295 12.960 13.532 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.748 13.470 13.637 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.881 12.757 15.262 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.026 11.878 13.972 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.722 15.176 12.668 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.708 15.177 14.448 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.080 15.893 13.568 1.00 0.00 H new ATOM 239 N GLY A 18 4.925 13.515 15.702 1.00 0.00 N ATOM 240 CA GLY A 18 3.762 14.256 16.152 1.00 0.00 C ATOM 241 C GLY A 18 3.193 13.712 17.447 1.00 0.00 C ATOM 242 O GLY A 18 2.842 14.474 18.348 1.00 0.00 O ATOM 0 H GLY A 18 4.802 13.020 14.819 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.033 15.303 16.289 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.994 14.224 15.380 1.00 0.00 H new ATOM 246 N PHE A 19 3.099 12.390 17.542 1.00 0.00 N ATOM 247 CA PHE A 19 2.566 11.744 18.736 1.00 0.00 C ATOM 248 C PHE A 19 3.473 11.990 19.938 1.00 0.00 C ATOM 249 O PHE A 19 3.000 12.274 21.039 1.00 0.00 O ATOM 250 CB PHE A 19 2.408 10.241 18.500 1.00 0.00 C ATOM 251 CG PHE A 19 1.044 9.852 18.005 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.510 10.443 16.871 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.296 8.896 18.673 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.744 10.087 16.412 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.958 8.535 18.219 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.480 9.133 17.088 1.00 0.00 C ATOM 0 H PHE A 19 3.385 11.744 16.806 1.00 0.00 H new ATOM 0 HA PHE A 19 1.588 12.176 18.947 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.155 9.914 17.777 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.613 9.712 19.431 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.080 11.190 16.340 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.698 8.427 19.559 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.148 10.554 15.526 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.530 7.786 18.747 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.461 8.855 16.733 1.00 0.00 H new ATOM 266 N LEU A 20 4.779 11.878 19.718 1.00 0.00 N ATOM 267 CA LEU A 20 5.754 12.087 20.783 1.00 0.00 C ATOM 268 C LEU A 20 5.720 13.530 21.277 1.00 0.00 C ATOM 269 O LEU A 20 5.864 13.791 22.472 1.00 0.00 O ATOM 270 CB LEU A 20 7.159 11.738 20.290 1.00 0.00 C ATOM 271 CG LEU A 20 7.763 10.446 20.842 1.00 0.00 C ATOM 272 CD1 LEU A 20 7.050 9.234 20.261 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.254 10.384 20.544 1.00 0.00 C ATOM 0 H LEU A 20 5.187 11.644 18.813 1.00 0.00 H new ATOM 0 HA LEU A 20 5.494 11.432 21.614 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.134 11.668 19.203 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.826 12.563 20.541 1.00 0.00 H new ATOM 0 HG LEU A 20 7.629 10.437 21.924 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.493 8.323 20.665 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.993 9.272 20.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.153 9.237 19.176 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.667 9.458 20.944 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.411 10.415 19.466 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.754 11.234 21.008 1.00 0.00 H new ATOM 285 N PHE A 21 5.525 14.463 20.351 1.00 0.00 N ATOM 286 CA PHE A 21 5.470 15.879 20.693 1.00 0.00 C ATOM 287 C PHE A 21 4.204 16.200 21.483 1.00 0.00 C ATOM 288 O PHE A 21 4.241 16.954 22.454 1.00 0.00 O ATOM 289 CB PHE A 21 5.523 16.734 19.425 1.00 0.00 C ATOM 290 CG PHE A 21 6.544 17.834 19.486 1.00 0.00 C ATOM 291 CD1 PHE A 21 7.877 17.577 19.210 1.00 0.00 C ATOM 292 CD2 PHE A 21 6.169 19.126 19.820 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.818 18.588 19.265 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.106 20.141 19.876 1.00 0.00 C ATOM 295 CZ PHE A 21 8.432 19.871 19.599 1.00 0.00 C ATOM 0 H PHE A 21 5.402 14.264 19.358 1.00 0.00 H new ATOM 0 HA PHE A 21 6.334 16.110 21.316 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.743 16.092 18.572 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.540 17.171 19.250 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.185 16.575 18.949 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.134 19.342 20.039 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.854 18.375 19.047 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.801 21.144 20.136 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.166 20.662 19.644 1.00 0.00 H new ATOM 305 N ALA A 22 3.086 15.621 21.057 1.00 0.00 N ATOM 306 CA ALA A 22 1.809 15.843 21.724 1.00 0.00 C ATOM 307 C ALA A 22 1.843 15.329 23.160 1.00 0.00 C ATOM 308 O ALA A 22 1.418 16.019 24.086 1.00 0.00 O ATOM 309 CB ALA A 22 0.685 15.174 20.948 1.00 0.00 C ATOM 0 H ALA A 22 3.039 14.995 20.253 1.00 0.00 H new ATOM 0 HA ALA A 22 1.625 16.917 21.755 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.263 15.348 21.458 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.638 15.592 19.942 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.873 14.102 20.887 1.00 0.00 H new ATOM 315 N ILE A 23 2.351 14.113 23.336 1.00 0.00 N ATOM 316 CA ILE A 23 2.440 13.507 24.658 1.00 0.00 C ATOM 317 C ILE A 23 3.434 14.255 25.540 1.00 0.00 C ATOM 318 O ILE A 23 3.239 14.377 26.749 1.00 0.00 O ATOM 319 CB ILE A 23 2.859 12.028 24.573 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.856 11.393 25.965 1.00 0.00 C ATOM 321 CG2 ILE A 23 4.232 11.902 23.930 1.00 0.00 C ATOM 322 CD1 ILE A 23 1.491 11.368 26.615 1.00 0.00 C ATOM 0 H ILE A 23 2.707 13.529 22.579 1.00 0.00 H new ATOM 0 HA ILE A 23 1.446 13.569 25.101 1.00 0.00 H new ATOM 0 HB ILE A 23 2.138 11.497 23.951 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.233 10.373 25.891 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.545 11.941 26.607 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.514 10.850 23.877 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.202 12.321 22.924 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.965 12.444 24.527 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.565 10.904 27.599 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.120 12.387 26.721 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.803 10.794 25.994 1.00 0.00 H new ATOM 334 N PHE A 24 4.501 14.756 24.925 1.00 0.00 N ATOM 335 CA PHE A 24 5.526 15.494 25.654 1.00 0.00 C ATOM 336 C PHE A 24 4.984 16.830 26.153 1.00 0.00 C ATOM 337 O PHE A 24 5.277 17.253 27.272 1.00 0.00 O ATOM 338 CB PHE A 24 6.747 15.728 24.761 1.00 0.00 C ATOM 339 CG PHE A 24 7.898 16.374 25.477 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.305 17.657 25.147 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.574 15.699 26.481 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.364 18.255 25.804 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.633 16.292 27.142 1.00 0.00 C ATOM 344 CZ PHE A 24 10.029 17.571 26.802 1.00 0.00 C ATOM 0 H PHE A 24 4.678 14.664 23.925 1.00 0.00 H new ATOM 0 HA PHE A 24 5.823 14.898 26.517 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.075 14.773 24.350 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.456 16.355 23.918 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.788 18.196 24.367 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.270 14.698 26.750 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.671 19.256 25.537 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.151 15.756 27.924 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.858 18.035 27.316 1.00 0.00 H new ATOM 354 N LEU A 25 4.192 17.491 25.316 1.00 0.00 N ATOM 355 CA LEU A 25 3.608 18.779 25.671 1.00 0.00 C ATOM 356 C LEU A 25 2.584 18.623 26.790 1.00 0.00 C ATOM 357 O LEU A 25 2.557 19.414 27.734 1.00 0.00 O ATOM 358 CB LEU A 25 2.950 19.418 24.446 1.00 0.00 C ATOM 359 CG LEU A 25 3.378 20.850 24.124 1.00 0.00 C ATOM 360 CD1 LEU A 25 3.394 21.077 22.620 1.00 0.00 C ATOM 361 CD2 LEU A 25 2.453 21.849 24.806 1.00 0.00 C ATOM 0 H LEU A 25 3.940 17.156 24.386 1.00 0.00 H new ATOM 0 HA LEU A 25 4.409 19.428 26.025 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.161 18.793 23.578 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.870 19.407 24.592 1.00 0.00 H new ATOM 0 HG LEU A 25 4.388 21.001 24.504 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.701 22.102 22.410 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.096 20.385 22.155 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.396 20.907 22.216 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.772 22.863 24.566 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.432 21.698 24.456 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.492 21.702 25.885 1.00 0.00 H new ATOM 373 N ILE A 26 1.745 17.599 26.678 1.00 0.00 N ATOM 374 CA ILE A 26 0.722 17.338 27.683 1.00 0.00 C ATOM 375 C ILE A 26 1.348 16.972 29.024 1.00 0.00 C ATOM 376 O ILE A 26 0.936 17.472 30.072 1.00 0.00 O ATOM 377 CB ILE A 26 -0.222 16.202 27.243 1.00 0.00 C ATOM 378 CG1 ILE A 26 -1.393 16.767 26.437 1.00 0.00 C ATOM 379 CG2 ILE A 26 -0.727 15.435 28.455 1.00 0.00 C ATOM 380 CD1 ILE A 26 -1.004 17.233 25.052 1.00 0.00 C ATOM 0 H ILE A 26 1.753 16.937 25.902 1.00 0.00 H new ATOM 0 HA ILE A 26 0.146 18.257 27.793 1.00 0.00 H new ATOM 0 HB ILE A 26 0.333 15.513 26.607 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.166 16.004 26.351 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.830 17.603 26.983 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.393 14.636 28.128 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.119 15.006 28.992 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.270 16.113 29.114 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.884 17.621 24.538 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.253 18.019 25.130 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.595 16.395 24.488 1.00 0.00 H new ATOM 392 N LEU A 27 2.348 16.098 28.985 1.00 0.00 N ATOM 393 CA LEU A 27 3.034 15.666 30.198 1.00 0.00 C ATOM 394 C LEU A 27 3.729 16.841 30.878 1.00 0.00 C ATOM 395 O LEU A 27 3.685 16.979 32.101 1.00 0.00 O ATOM 396 CB LEU A 27 4.055 14.576 29.869 1.00 0.00 C ATOM 397 CG LEU A 27 3.651 13.146 30.230 1.00 0.00 C ATOM 398 CD1 LEU A 27 4.081 12.178 29.139 1.00 0.00 C ATOM 399 CD2 LEU A 27 4.253 12.745 31.569 1.00 0.00 C ATOM 0 H LEU A 27 2.702 15.675 28.127 1.00 0.00 H new ATOM 0 HA LEU A 27 2.289 15.262 30.883 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.265 14.614 28.800 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.986 14.810 30.385 1.00 0.00 H new ATOM 0 HG LEU A 27 2.565 13.106 30.315 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.785 11.166 29.414 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.603 12.454 28.199 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.164 12.220 29.021 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.956 11.725 31.811 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.340 12.802 31.511 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.895 13.421 32.346 1.00 0.00 H new ATOM 411 N LEU A 28 4.369 17.687 30.078 1.00 0.00 N ATOM 412 CA LEU A 28 5.072 18.853 30.602 1.00 0.00 C ATOM 413 C LEU A 28 4.100 19.821 31.268 1.00 0.00 C ATOM 414 O LEU A 28 4.379 20.359 32.340 1.00 0.00 O ATOM 415 CB LEU A 28 5.830 19.564 29.480 1.00 0.00 C ATOM 416 CG LEU A 28 6.759 20.699 29.911 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.968 20.778 28.991 1.00 0.00 C ATOM 418 CD2 LEU A 28 6.011 22.024 29.927 1.00 0.00 C ATOM 0 H LEU A 28 4.416 17.587 29.064 1.00 0.00 H new ATOM 0 HA LEU A 28 5.785 18.510 31.352 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.421 18.823 28.942 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.102 19.965 28.775 1.00 0.00 H new ATOM 0 HG LEU A 28 7.110 20.491 30.922 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.618 21.592 29.313 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.517 19.837 29.031 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.636 20.962 27.969 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.688 22.820 30.236 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.630 22.239 28.929 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.178 21.963 30.628 1.00 0.00 H new ATOM 430 N LEU A 29 2.957 20.038 30.626 1.00 0.00 N ATOM 431 CA LEU A 29 1.941 20.940 31.157 1.00 0.00 C ATOM 432 C LEU A 29 1.373 20.410 32.470 1.00 0.00 C ATOM 433 O LEU A 29 1.202 21.158 33.432 1.00 0.00 O ATOM 434 CB LEU A 29 0.814 21.125 30.140 1.00 0.00 C ATOM 435 CG LEU A 29 0.306 22.556 29.953 1.00 0.00 C ATOM 436 CD1 LEU A 29 1.281 23.361 29.108 1.00 0.00 C ATOM 437 CD2 LEU A 29 -1.077 22.553 29.319 1.00 0.00 C ATOM 0 H LEU A 29 2.711 19.602 29.737 1.00 0.00 H new ATOM 0 HA LEU A 29 2.412 21.904 31.349 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.158 20.754 29.175 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.026 20.499 30.441 1.00 0.00 H new ATOM 0 HG LEU A 29 0.232 23.026 30.933 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.904 24.376 28.985 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.252 23.392 29.603 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.387 22.893 28.130 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.422 23.579 29.194 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.030 22.065 28.346 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.771 22.013 29.963 1.00 0.00 H new ATOM 449 N VAL A 30 1.086 19.112 32.503 1.00 0.00 N ATOM 450 CA VAL A 30 0.541 18.480 33.699 1.00 0.00 C ATOM 451 C VAL A 30 1.519 18.577 34.865 1.00 0.00 C ATOM 452 O VAL A 30 1.132 18.903 35.988 1.00 0.00 O ATOM 453 CB VAL A 30 0.204 16.999 33.447 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.325 16.348 34.716 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.800 16.867 32.312 1.00 0.00 C ATOM 0 H VAL A 30 1.222 18.478 31.716 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.375 19.015 33.951 1.00 0.00 H new ATOM 0 HB VAL A 30 1.118 16.481 33.155 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.558 15.302 34.518 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.431 16.410 35.499 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.228 16.865 35.041 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.027 15.814 32.147 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.715 17.399 32.572 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.378 17.294 31.402 1.00 0.00 H new ATOM 465 N TYR A 31 2.787 18.292 34.592 1.00 0.00 N ATOM 466 CA TYR A 31 3.821 18.344 35.618 1.00 0.00 C ATOM 467 C TYR A 31 3.982 19.762 36.157 1.00 0.00 C ATOM 468 O TYR A 31 4.035 19.976 37.368 1.00 0.00 O ATOM 469 CB TYR A 31 5.153 17.845 35.056 1.00 0.00 C ATOM 470 CG TYR A 31 5.642 16.569 35.702 1.00 0.00 C ATOM 471 CD1 TYR A 31 6.629 16.596 36.680 1.00 0.00 C ATOM 472 CD2 TYR A 31 5.120 15.335 35.333 1.00 0.00 C ATOM 473 CE1 TYR A 31 7.080 15.432 37.272 1.00 0.00 C ATOM 474 CE2 TYR A 31 5.564 14.167 35.920 1.00 0.00 C ATOM 475 CZ TYR A 31 6.544 14.220 36.889 1.00 0.00 C ATOM 476 OH TYR A 31 6.990 13.058 37.476 1.00 0.00 O ATOM 0 H TYR A 31 3.124 18.022 33.668 1.00 0.00 H new ATOM 0 HA TYR A 31 3.516 17.695 36.439 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.047 17.682 33.983 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.907 18.621 35.188 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.051 17.543 36.982 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.353 15.289 34.574 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.848 15.471 38.030 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.146 13.217 35.622 1.00 0.00 H new ATOM 0 HH TYR A 31 6.510 12.294 37.095 1.00 0.00 H new ATOM 486 N ARG A 32 4.058 20.728 35.248 1.00 0.00 N ATOM 487 CA ARG A 32 4.214 22.127 35.630 1.00 0.00 C ATOM 488 C ARG A 32 3.010 22.607 36.435 1.00 0.00 C ATOM 489 O ARG A 32 3.159 23.333 37.418 1.00 0.00 O ATOM 490 CB ARG A 32 4.391 23.001 34.387 1.00 0.00 C ATOM 491 CG ARG A 32 4.348 24.491 34.679 1.00 0.00 C ATOM 492 CD ARG A 32 4.629 25.312 33.430 1.00 0.00 C ATOM 493 NE ARG A 32 3.764 26.486 33.341 1.00 0.00 N ATOM 494 CZ ARG A 32 3.790 27.342 32.325 1.00 0.00 C ATOM 495 NH1 ARG A 32 4.631 27.156 31.318 1.00 0.00 N ATOM 496 NH2 ARG A 32 2.972 28.387 32.316 1.00 0.00 N ATOM 0 H ARG A 32 4.014 20.568 34.242 1.00 0.00 H new ATOM 0 HA ARG A 32 5.104 22.211 36.254 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.344 22.759 33.916 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.609 22.758 33.668 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.369 24.757 35.078 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.082 24.734 35.448 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.672 25.629 33.432 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.487 24.689 32.547 1.00 0.00 H new ATOM 0 HE ARG A 32 3.104 26.658 34.100 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.261 26.354 31.321 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.648 27.815 30.540 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.323 28.533 33.089 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.992 29.044 31.536 1.00 0.00 H new