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 7.444 8.796 5.133 1.00 0.00 N ATOM 136 CA ALA A 10 7.128 10.150 5.571 1.00 0.00 C ATOM 137 C ALA A 10 5.949 10.153 6.538 1.00 0.00 C ATOM 138 O ALA A 10 5.970 10.845 7.556 1.00 0.00 O ATOM 139 CB ALA A 10 6.831 11.036 4.371 1.00 0.00 C ATOM 0 HA ALA A 10 7.996 10.548 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.597 12.044 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.703 11.068 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.980 10.632 3.822 1.00 0.00 H new ATOM 145 N VAL A 11 4.921 9.376 6.213 1.00 0.00 N ATOM 146 CA VAL A 11 3.732 9.290 7.054 1.00 0.00 C ATOM 147 C VAL A 11 4.072 8.725 8.429 1.00 0.00 C ATOM 148 O VAL A 11 3.610 9.234 9.451 1.00 0.00 O ATOM 149 CB VAL A 11 2.648 8.410 6.404 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.422 8.323 7.300 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.277 8.950 5.031 1.00 0.00 C ATOM 0 H VAL A 11 4.887 8.797 5.374 1.00 0.00 H new ATOM 0 HA VAL A 11 3.348 10.304 7.165 1.00 0.00 H new ATOM 0 HB VAL A 11 3.049 7.404 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.667 7.697 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.702 7.887 8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.017 9.322 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.510 8.316 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.895 9.966 5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.160 8.955 4.391 1.00 0.00 H new ATOM 161 N ILE A 12 4.882 7.672 8.446 1.00 0.00 N ATOM 162 CA ILE A 12 5.285 7.040 9.696 1.00 0.00 C ATOM 163 C ILE A 12 6.085 8.003 10.567 1.00 0.00 C ATOM 164 O ILE A 12 5.819 8.144 11.760 1.00 0.00 O ATOM 165 CB ILE A 12 6.127 5.776 9.442 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.273 4.692 8.781 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.723 5.265 10.745 1.00 0.00 C ATOM 168 CD1 ILE A 12 4.176 4.158 9.675 1.00 0.00 C ATOM 0 H ILE A 12 5.272 7.239 7.609 1.00 0.00 H new ATOM 0 HA ILE A 12 4.369 6.759 10.216 1.00 0.00 H new ATOM 0 HB ILE A 12 6.944 6.032 8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.826 5.097 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.918 3.867 8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.315 4.371 10.548 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.361 6.035 11.180 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.921 5.022 11.442 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.611 3.394 9.141 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.617 3.723 10.572 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.508 4.972 9.957 1.00 0.00 H new ATOM 180 N ALA A 13 7.064 8.665 9.961 1.00 0.00 N ATOM 181 CA ALA A 13 7.901 9.619 10.680 1.00 0.00 C ATOM 182 C ALA A 13 7.067 10.762 11.247 1.00 0.00 C ATOM 183 O ALA A 13 7.268 11.186 12.384 1.00 0.00 O ATOM 184 CB ALA A 13 8.990 10.160 9.765 1.00 0.00 C ATOM 0 H ALA A 13 7.298 8.559 8.974 1.00 0.00 H new ATOM 0 HA ALA A 13 8.369 9.097 11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.607 10.871 10.315 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.611 9.337 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.533 10.661 8.912 1.00 0.00 H new ATOM 190 N GLY A 14 6.129 11.259 10.445 1.00 0.00 N ATOM 191 CA GLY A 14 5.279 12.350 10.885 1.00 0.00 C ATOM 192 C GLY A 14 4.388 11.959 12.047 1.00 0.00 C ATOM 193 O GLY A 14 4.160 12.753 12.959 1.00 0.00 O ATOM 0 H GLY A 14 5.943 10.925 9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.901 13.196 11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.659 12.682 10.052 1.00 0.00 H new ATOM 197 N GLY A 15 3.881 10.730 12.015 1.00 0.00 N ATOM 198 CA GLY A 15 3.015 10.257 13.079 1.00 0.00 C ATOM 199 C GLY A 15 3.755 10.062 14.387 1.00 0.00 C ATOM 200 O GLY A 15 3.245 10.404 15.454 1.00 0.00 O ATOM 0 H GLY A 15 4.055 10.054 11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.204 10.970 13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.559 9.313 12.779 1.00 0.00 H new ATOM 204 N VAL A 16 4.962 9.510 14.306 1.00 0.00 N ATOM 205 CA VAL A 16 5.774 9.269 15.492 1.00 0.00 C ATOM 206 C VAL A 16 6.199 10.581 16.142 1.00 0.00 C ATOM 207 O VAL A 16 6.105 10.741 17.360 1.00 0.00 O ATOM 208 CB VAL A 16 7.030 8.445 15.155 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.843 8.172 16.411 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.645 7.145 14.466 1.00 0.00 C ATOM 0 H VAL A 16 5.399 9.221 13.431 1.00 0.00 H new ATOM 0 HA VAL A 16 5.156 8.704 16.190 1.00 0.00 H new ATOM 0 HB VAL A 16 7.649 9.023 14.469 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.727 7.588 16.153 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.150 9.117 16.858 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.235 7.614 17.124 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.545 6.575 14.235 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.004 6.560 15.125 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.109 7.367 13.543 1.00 0.00 H new ATOM 220 N ILE A 17 6.666 11.517 15.323 1.00 0.00 N ATOM 221 CA ILE A 17 7.105 12.816 15.818 1.00 0.00 C ATOM 222 C ILE A 17 5.943 13.591 16.431 1.00 0.00 C ATOM 223 O ILE A 17 6.071 14.171 17.509 1.00 0.00 O ATOM 224 CB ILE A 17 7.737 13.662 14.697 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.937 12.931 14.092 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.153 15.024 15.231 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.299 13.410 12.703 1.00 0.00 C ATOM 0 H ILE A 17 6.750 11.400 14.313 1.00 0.00 H new ATOM 0 HA ILE A 17 7.856 12.625 16.584 1.00 0.00 H new ATOM 0 HB ILE A 17 6.995 13.813 13.913 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.798 13.059 14.748 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.721 11.863 14.054 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.598 15.610 14.427 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.278 15.546 15.619 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.882 14.894 16.031 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.158 12.848 12.337 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.453 13.257 12.033 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.547 14.471 12.737 1.00 0.00 H new ATOM 239 N GLY A 18 4.809 13.594 15.737 1.00 0.00 N ATOM 240 CA GLY A 18 3.640 14.300 16.230 1.00 0.00 C ATOM 241 C GLY A 18 3.123 13.725 17.534 1.00 0.00 C ATOM 242 O GLY A 18 2.766 14.467 18.449 1.00 0.00 O ATOM 0 H GLY A 18 4.679 13.121 14.843 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.888 15.352 16.373 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.851 14.258 15.480 1.00 0.00 H new ATOM 246 N PHE A 19 3.081 12.400 17.619 1.00 0.00 N ATOM 247 CA PHE A 19 2.601 11.726 18.820 1.00 0.00 C ATOM 248 C PHE A 19 3.518 12.009 20.006 1.00 0.00 C ATOM 249 O PHE A 19 3.053 12.266 21.118 1.00 0.00 O ATOM 250 CB PHE A 19 2.509 10.217 18.581 1.00 0.00 C ATOM 251 CG PHE A 19 1.505 9.531 19.463 1.00 0.00 C ATOM 252 CD1 PHE A 19 1.911 8.595 20.400 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.155 9.822 19.354 1.00 0.00 C ATOM 254 CE1 PHE A 19 0.990 7.962 21.213 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.771 9.193 20.165 1.00 0.00 C ATOM 256 CZ PHE A 19 -0.353 8.261 21.095 1.00 0.00 C ATOM 0 H PHE A 19 3.373 11.771 16.871 1.00 0.00 H new ATOM 0 HA PHE A 19 1.608 12.112 19.051 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.247 10.038 17.538 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.490 9.771 18.745 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.960 8.357 20.496 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.178 10.548 18.627 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.320 7.234 21.940 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.821 9.430 20.072 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.075 7.767 21.728 1.00 0.00 H new ATOM 266 N LEU A 20 4.823 11.960 19.762 1.00 0.00 N ATOM 267 CA LEU A 20 5.807 12.211 20.809 1.00 0.00 C ATOM 268 C LEU A 20 5.713 13.648 21.313 1.00 0.00 C ATOM 269 O LEU A 20 5.864 13.910 22.506 1.00 0.00 O ATOM 270 CB LEU A 20 7.218 11.933 20.288 1.00 0.00 C ATOM 271 CG LEU A 20 8.246 11.495 21.332 1.00 0.00 C ATOM 272 CD1 LEU A 20 7.927 10.098 21.841 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.651 11.545 20.751 1.00 0.00 C ATOM 0 H LEU A 20 5.224 11.749 18.848 1.00 0.00 H new ATOM 0 HA LEU A 20 5.594 11.539 21.641 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.155 11.159 19.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.587 12.835 19.800 1.00 0.00 H new ATOM 0 HG LEU A 20 8.198 12.186 22.174 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.669 9.803 22.583 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.937 10.094 22.296 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.946 9.394 21.009 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.369 11.230 21.508 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.713 10.877 19.892 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.879 12.563 20.436 1.00 0.00 H new ATOM 285 N PHE A 21 5.459 14.575 20.395 1.00 0.00 N ATOM 286 CA PHE A 21 5.342 15.986 20.746 1.00 0.00 C ATOM 287 C PHE A 21 4.077 16.241 21.560 1.00 0.00 C ATOM 288 O PHE A 21 4.093 16.995 22.532 1.00 0.00 O ATOM 289 CB PHE A 21 5.333 16.848 19.483 1.00 0.00 C ATOM 290 CG PHE A 21 6.325 17.976 19.519 1.00 0.00 C ATOM 291 CD1 PHE A 21 7.685 17.721 19.461 1.00 0.00 C ATOM 292 CD2 PHE A 21 5.896 19.290 19.611 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.601 18.756 19.493 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.807 20.329 19.644 1.00 0.00 C ATOM 295 CZ PHE A 21 8.161 20.062 19.586 1.00 0.00 C ATOM 0 H PHE A 21 5.330 14.375 19.403 1.00 0.00 H new ATOM 0 HA PHE A 21 6.205 16.256 21.355 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.545 16.216 18.620 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.333 17.258 19.340 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.034 16.701 19.390 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.839 19.505 19.657 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.659 18.544 19.445 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.460 21.349 19.715 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.874 20.873 19.613 1.00 0.00 H new ATOM 305 N ALA A 22 2.981 15.608 21.153 1.00 0.00 N ATOM 306 CA ALA A 22 1.707 15.764 21.844 1.00 0.00 C ATOM 307 C ALA A 22 1.793 15.250 23.277 1.00 0.00 C ATOM 308 O ALA A 22 1.344 15.914 24.212 1.00 0.00 O ATOM 309 CB ALA A 22 0.604 15.041 21.086 1.00 0.00 C ATOM 0 H ALA A 22 2.950 14.982 20.348 1.00 0.00 H new ATOM 0 HA ALA A 22 1.470 16.827 21.882 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.342 15.166 21.613 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.518 15.458 20.083 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.844 13.980 21.018 1.00 0.00 H new ATOM 315 N ILE A 23 2.370 14.065 23.441 1.00 0.00 N ATOM 316 CA ILE A 23 2.514 13.462 24.761 1.00 0.00 C ATOM 317 C ILE A 23 3.486 14.259 25.625 1.00 0.00 C ATOM 318 O ILE A 23 3.311 14.363 26.840 1.00 0.00 O ATOM 319 CB ILE A 23 3.006 12.006 24.664 1.00 0.00 C ATOM 320 CG1 ILE A 23 3.065 11.372 26.055 1.00 0.00 C ATOM 321 CG2 ILE A 23 4.369 11.950 23.992 1.00 0.00 C ATOM 322 CD1 ILE A 23 2.464 9.985 26.113 1.00 0.00 C ATOM 0 H ILE A 23 2.745 13.503 22.677 1.00 0.00 H new ATOM 0 HA ILE A 23 1.527 13.473 25.223 1.00 0.00 H new ATOM 0 HB ILE A 23 2.301 11.439 24.056 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.105 11.323 26.379 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.541 12.016 26.761 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.702 10.914 23.931 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.297 12.367 22.988 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.086 12.528 24.575 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.541 9.597 27.129 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.415 10.030 25.820 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.003 9.326 25.432 1.00 0.00 H new ATOM 334 N PHE A 24 4.510 14.821 24.991 1.00 0.00 N ATOM 335 CA PHE A 24 5.509 15.609 25.702 1.00 0.00 C ATOM 336 C PHE A 24 4.921 16.936 26.174 1.00 0.00 C ATOM 337 O PHE A 24 5.223 17.407 27.272 1.00 0.00 O ATOM 338 CB PHE A 24 6.720 15.866 24.804 1.00 0.00 C ATOM 339 CG PHE A 24 7.880 14.954 25.085 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.453 14.206 24.069 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.397 14.845 26.366 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.520 13.366 24.324 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.465 14.007 26.627 1.00 0.00 C ATOM 344 CZ PHE A 24 10.026 13.266 25.605 1.00 0.00 C ATOM 0 H PHE A 24 4.669 14.745 23.986 1.00 0.00 H new ATOM 0 HA PHE A 24 5.827 15.042 26.576 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.421 15.750 23.762 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.042 16.900 24.929 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.061 14.280 23.066 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.961 15.421 27.169 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.957 12.789 23.523 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.860 13.932 27.629 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.859 12.609 25.808 1.00 0.00 H new ATOM 354 N LEU A 25 4.080 17.534 25.337 1.00 0.00 N ATOM 355 CA LEU A 25 3.449 18.807 25.667 1.00 0.00 C ATOM 356 C LEU A 25 2.466 18.645 26.822 1.00 0.00 C ATOM 357 O LEU A 25 2.459 19.442 27.761 1.00 0.00 O ATOM 358 CB LEU A 25 2.726 19.372 24.443 1.00 0.00 C ATOM 359 CG LEU A 25 3.412 20.545 23.741 1.00 0.00 C ATOM 360 CD1 LEU A 25 4.305 20.045 22.616 1.00 0.00 C ATOM 361 CD2 LEU A 25 2.378 21.526 23.207 1.00 0.00 C ATOM 0 H LEU A 25 3.819 17.158 24.425 1.00 0.00 H new ATOM 0 HA LEU A 25 4.230 19.503 25.974 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.595 18.567 23.719 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.729 19.690 24.749 1.00 0.00 H new ATOM 0 HG LEU A 25 4.035 21.065 24.469 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.785 20.893 22.128 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.068 19.382 23.024 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.703 19.501 21.888 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.884 22.354 22.711 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.729 21.018 22.494 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.780 21.910 24.033 1.00 0.00 H new ATOM 373 N ILE A 26 1.640 17.606 26.748 1.00 0.00 N ATOM 374 CA ILE A 26 0.656 17.338 27.789 1.00 0.00 C ATOM 375 C ILE A 26 1.334 16.989 29.110 1.00 0.00 C ATOM 376 O ILE A 26 0.929 17.462 30.172 1.00 0.00 O ATOM 377 CB ILE A 26 -0.287 16.188 27.389 1.00 0.00 C ATOM 378 CG1 ILE A 26 -1.286 15.905 28.512 1.00 0.00 C ATOM 379 CG2 ILE A 26 0.514 14.937 27.058 1.00 0.00 C ATOM 380 CD1 ILE A 26 -2.163 17.089 28.853 1.00 0.00 C ATOM 0 H ILE A 26 1.633 16.937 25.978 1.00 0.00 H new ATOM 0 HA ILE A 26 0.072 18.250 27.913 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.843 16.486 26.500 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.919 15.066 28.222 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.740 15.599 29.404 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.166 14.133 26.777 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.190 15.147 26.229 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.093 14.634 27.930 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.846 16.816 29.657 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.539 17.923 29.174 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.736 17.382 27.974 1.00 0.00 H new ATOM 392 N LEU A 27 2.370 16.159 29.035 1.00 0.00 N ATOM 393 CA LEU A 27 3.107 15.748 30.225 1.00 0.00 C ATOM 394 C LEU A 27 3.771 16.946 30.896 1.00 0.00 C ATOM 395 O LEU A 27 3.749 17.076 32.121 1.00 0.00 O ATOM 396 CB LEU A 27 4.163 14.704 29.858 1.00 0.00 C ATOM 397 CG LEU A 27 3.797 13.248 30.151 1.00 0.00 C ATOM 398 CD1 LEU A 27 2.435 12.912 29.564 1.00 0.00 C ATOM 399 CD2 LEU A 27 4.862 12.310 29.601 1.00 0.00 C ATOM 0 H LEU A 27 2.718 15.758 28.164 1.00 0.00 H new ATOM 0 HA LEU A 27 2.399 15.309 30.928 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.382 14.796 28.794 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.082 14.942 30.394 1.00 0.00 H new ATOM 0 HG LEU A 27 3.747 13.116 31.232 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.191 11.872 29.782 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.679 13.562 30.004 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.457 13.060 28.484 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.586 11.278 29.818 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.943 12.444 28.522 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.821 12.535 30.068 1.00 0.00 H new ATOM 411 N LEU A 28 4.359 17.819 30.087 1.00 0.00 N ATOM 412 CA LEU A 28 5.028 19.009 30.601 1.00 0.00 C ATOM 413 C LEU A 28 4.032 19.941 31.285 1.00 0.00 C ATOM 414 O LEU A 28 4.309 20.486 32.355 1.00 0.00 O ATOM 415 CB LEU A 28 5.740 19.749 29.467 1.00 0.00 C ATOM 416 CG LEU A 28 6.965 20.572 29.868 1.00 0.00 C ATOM 417 CD1 LEU A 28 6.570 21.683 30.829 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.028 19.678 30.490 1.00 0.00 C ATOM 0 H LEU A 28 4.386 17.726 29.072 1.00 0.00 H new ATOM 0 HA LEU A 28 5.766 18.691 31.338 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.047 19.018 28.719 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.022 20.414 28.987 1.00 0.00 H new ATOM 0 HG LEU A 28 7.383 21.028 28.970 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.454 22.258 31.103 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.845 22.340 30.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.127 21.248 31.725 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.892 20.281 30.769 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.622 19.193 31.378 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.332 18.919 29.769 1.00 0.00 H new ATOM 430 N LEU A 29 2.872 20.117 30.663 1.00 0.00 N ATOM 431 CA LEU A 29 1.833 20.981 31.213 1.00 0.00 C ATOM 432 C LEU A 29 1.315 20.434 32.539 1.00 0.00 C ATOM 433 O LEU A 29 1.138 21.178 33.504 1.00 0.00 O ATOM 434 CB LEU A 29 0.678 21.119 30.219 1.00 0.00 C ATOM 435 CG LEU A 29 0.474 22.510 29.616 1.00 0.00 C ATOM 436 CD1 LEU A 29 0.453 22.435 28.098 1.00 0.00 C ATOM 437 CD2 LEU A 29 -0.811 23.135 30.140 1.00 0.00 C ATOM 0 H LEU A 29 2.627 19.673 29.778 1.00 0.00 H new ATOM 0 HA LEU A 29 2.270 21.964 31.392 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.839 20.412 29.405 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.244 20.823 30.720 1.00 0.00 H new ATOM 0 HG LEU A 29 1.310 23.142 29.916 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.307 23.434 27.686 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.400 22.030 27.741 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.363 21.787 27.777 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.940 24.124 29.701 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.658 22.505 29.870 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.756 23.224 31.225 1.00 0.00 H new ATOM 449 N VAL A 30 1.075 19.127 32.581 1.00 0.00 N ATOM 450 CA VAL A 30 0.580 18.478 33.789 1.00 0.00 C ATOM 451 C VAL A 30 1.581 18.609 34.932 1.00 0.00 C ATOM 452 O VAL A 30 1.210 18.924 36.063 1.00 0.00 O ATOM 453 CB VAL A 30 0.288 16.986 33.546 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.176 16.316 34.830 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.748 16.819 32.444 1.00 0.00 C ATOM 0 H VAL A 30 1.216 18.497 31.792 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.347 18.982 34.061 1.00 0.00 H new ATOM 0 HB VAL A 30 1.210 16.501 33.224 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.377 15.262 34.638 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.602 16.405 35.588 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.086 16.800 35.185 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.943 15.758 32.285 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.672 17.318 32.735 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.372 17.261 31.521 1.00 0.00 H new ATOM 465 N TYR A 31 2.851 18.366 34.629 1.00 0.00 N ATOM 466 CA TYR A 31 3.906 18.454 35.631 1.00 0.00 C ATOM 467 C TYR A 31 4.108 19.897 36.084 1.00 0.00 C ATOM 468 O TYR A 31 4.380 20.159 37.256 1.00 0.00 O ATOM 469 CB TYR A 31 5.217 17.896 35.073 1.00 0.00 C ATOM 470 CG TYR A 31 6.222 17.530 36.141 1.00 0.00 C ATOM 471 CD1 TYR A 31 7.057 18.492 36.696 1.00 0.00 C ATOM 472 CD2 TYR A 31 6.339 16.222 36.596 1.00 0.00 C ATOM 473 CE1 TYR A 31 7.978 18.163 37.672 1.00 0.00 C ATOM 474 CE2 TYR A 31 7.256 15.884 37.572 1.00 0.00 C ATOM 475 CZ TYR A 31 8.073 16.857 38.107 1.00 0.00 C ATOM 476 OH TYR A 31 8.989 16.524 39.078 1.00 0.00 O ATOM 0 H TYR A 31 3.175 18.106 33.697 1.00 0.00 H new ATOM 0 HA TYR A 31 3.603 17.860 36.493 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.000 17.013 34.472 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.661 18.634 34.405 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.985 19.515 36.358 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.702 15.456 36.179 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.620 18.923 38.092 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.333 14.863 37.914 1.00 0.00 H new ATOM 0 HH TYR A 31 8.927 15.565 39.272 1.00 0.00 H new ATOM 486 N ARG A 32 3.971 20.829 35.147 1.00 0.00 N ATOM 487 CA ARG A 32 4.138 22.246 35.448 1.00 0.00 C ATOM 488 C ARG A 32 3.100 22.712 36.465 1.00 0.00 C ATOM 489 O ARG A 32 3.408 23.484 37.372 1.00 0.00 O ATOM 490 CB ARG A 32 4.024 23.078 34.170 1.00 0.00 C ATOM 491 CG ARG A 32 5.342 23.685 33.718 1.00 0.00 C ATOM 492 CD ARG A 32 5.122 24.852 32.769 1.00 0.00 C ATOM 493 NE ARG A 32 6.196 25.838 32.856 1.00 0.00 N ATOM 494 CZ ARG A 32 6.301 26.884 32.044 1.00 0.00 C ATOM 495 NH1 ARG A 32 5.402 27.078 31.088 1.00 0.00 N ATOM 496 NH2 ARG A 32 7.307 27.738 32.186 1.00 0.00 N ATOM 0 H ARG A 32 3.745 20.629 34.173 1.00 0.00 H new ATOM 0 HA ARG A 32 5.130 22.386 35.877 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.631 22.449 33.371 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.302 23.878 34.331 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.905 24.023 34.588 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.945 22.922 33.225 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.053 24.480 31.747 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.170 25.331 32.998 1.00 0.00 H new ATOM 0 HE ARG A 32 6.904 25.717 33.580 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.628 26.423 30.975 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.485 27.882 30.466 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.001 27.592 32.919 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.386 28.541 31.562 1.00 0.00 H new