USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 161 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 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.571 1.481 -1.201 1.00 0.00 N ATOM 179 CA PRO A 12 20.891 1.628 0.255 1.00 0.00 C ATOM 180 C PRO A 12 22.015 0.686 0.691 1.00 0.00 C ATOM 181 O PRO A 12 23.131 1.125 0.970 1.00 0.00 O ATOM 182 CB PRO A 12 19.573 1.311 0.974 1.00 0.00 C ATOM 183 CG PRO A 12 18.506 1.575 -0.032 1.00 0.00 C ATOM 184 CD PRO A 12 19.121 1.287 -1.401 1.00 0.00 C ATOM 0 HA PRO A 12 21.258 2.627 0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.548 0.275 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.446 1.937 1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.639 0.939 0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.162 2.607 0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.898 0.273 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.731 1.963 -2.162 1.00 0.00 H new ATOM 192 N THR A 13 21.733 -0.611 0.711 1.00 0.00 N ATOM 193 CA THR A 13 22.731 -1.597 1.131 1.00 0.00 C ATOM 194 C THR A 13 23.946 -1.656 0.195 1.00 0.00 C ATOM 195 O THR A 13 24.974 -2.227 0.555 1.00 0.00 O ATOM 196 CB THR A 13 22.087 -2.985 1.202 1.00 0.00 C ATOM 197 OG1 THR A 13 21.631 -3.359 -0.090 1.00 0.00 O ATOM 198 CG2 THR A 13 20.908 -2.960 2.177 1.00 0.00 C ATOM 0 H THR A 13 20.831 -1.006 0.445 1.00 0.00 H new ATOM 0 HA THR A 13 23.089 -1.284 2.112 1.00 0.00 H new ATOM 0 HB THR A 13 22.824 -3.708 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 13 21.220 -4.248 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.453 -3.950 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.261 -2.676 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.168 -2.237 1.835 1.00 0.00 H new ATOM 206 N SER A 14 23.867 -1.021 -0.974 1.00 0.00 N ATOM 207 CA SER A 14 24.915 -1.153 -1.980 1.00 0.00 C ATOM 208 C SER A 14 26.060 -0.214 -1.635 1.00 0.00 C ATOM 209 O SER A 14 27.222 -0.610 -1.574 1.00 0.00 O ATOM 210 CB SER A 14 24.364 -0.811 -3.364 1.00 0.00 C ATOM 211 OG SER A 14 25.341 -1.128 -4.347 1.00 0.00 O ATOM 0 H SER A 14 23.093 -0.414 -1.245 1.00 0.00 H new ATOM 0 HA SER A 14 25.275 -2.182 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.447 -1.370 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.109 0.247 -3.416 1.00 0.00 H new ATOM 0 HG SER A 14 24.992 -0.912 -5.237 1.00 0.00 H new ATOM 217 N ILE A 15 25.701 1.033 -1.369 1.00 0.00 N ATOM 218 CA ILE A 15 26.664 2.010 -0.888 1.00 0.00 C ATOM 219 C ILE A 15 27.212 1.551 0.461 1.00 0.00 C ATOM 220 O ILE A 15 28.411 1.650 0.716 1.00 0.00 O ATOM 221 CB ILE A 15 25.999 3.385 -0.746 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.417 3.813 -2.096 1.00 0.00 C ATOM 223 CG2 ILE A 15 27.035 4.421 -0.297 1.00 0.00 C ATOM 224 CD1 ILE A 15 24.608 5.099 -1.921 1.00 0.00 C ATOM 0 H ILE A 15 24.752 1.391 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 15 27.482 2.095 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 15 25.204 3.320 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 15 26.220 3.972 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 15 24.781 3.023 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.556 5.395 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.454 4.123 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 15 27.833 4.482 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 15 24.194 5.402 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 15 23.796 4.925 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.257 5.888 -1.540 1.00 0.00 H new ATOM 236 N LEU A 16 26.333 1.018 1.312 1.00 0.00 N ATOM 237 CA LEU A 16 26.767 0.530 2.617 1.00 0.00 C ATOM 238 C LEU A 16 27.811 -0.572 2.451 1.00 0.00 C ATOM 239 O LEU A 16 28.815 -0.606 3.162 1.00 0.00 O ATOM 240 CB LEU A 16 25.566 -0.011 3.397 1.00 0.00 C ATOM 241 CG LEU A 16 26.002 -0.389 4.815 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.293 0.881 5.615 1.00 0.00 C ATOM 243 CD2 LEU A 16 24.879 -1.174 5.498 1.00 0.00 C ATOM 0 H LEU A 16 25.336 0.915 1.124 1.00 0.00 H new ATOM 0 HA LEU A 16 27.212 1.358 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 16 24.777 0.740 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.152 -0.882 2.889 1.00 0.00 H new ATOM 0 HG LEU A 16 26.902 -1.003 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.603 0.612 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.090 1.443 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 16 25.393 1.495 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.187 -1.445 6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 16 23.981 -0.558 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.669 -2.079 4.928 1.00 0.00 H new ATOM 255 N LEU A 17 27.595 -1.451 1.478 1.00 0.00 N ATOM 256 CA LEU A 17 28.473 -2.601 1.291 1.00 0.00 C ATOM 257 C LEU A 17 29.858 -2.149 0.844 1.00 0.00 C ATOM 258 O LEU A 17 30.876 -2.603 1.364 1.00 0.00 O ATOM 259 CB LEU A 17 27.873 -3.547 0.246 1.00 0.00 C ATOM 260 CG LEU A 17 28.623 -4.884 0.261 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.695 -5.998 -0.230 1.00 0.00 C ATOM 262 CD2 LEU A 17 29.845 -4.804 -0.660 1.00 0.00 C ATOM 0 H LEU A 17 26.826 -1.390 0.811 1.00 0.00 H new ATOM 0 HA LEU A 17 28.568 -3.125 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.816 -3.711 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.936 -3.096 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 17 28.949 -5.099 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.229 -6.948 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 17 26.826 -6.063 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.368 -5.778 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 17 30.374 -5.757 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.520 -4.585 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 17 30.511 -4.014 -0.313 1.00 0.00 H new ATOM 274 N LEU A 18 29.885 -1.225 -0.106 1.00 0.00 N ATOM 275 CA LEU A 18 31.146 -0.707 -0.617 1.00 0.00 C ATOM 276 C LEU A 18 31.931 -0.048 0.511 1.00 0.00 C ATOM 277 O LEU A 18 33.136 -0.253 0.646 1.00 0.00 O ATOM 278 CB LEU A 18 30.881 0.312 -1.727 1.00 0.00 C ATOM 279 CG LEU A 18 32.208 0.754 -2.350 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.789 -0.392 -3.180 1.00 0.00 C ATOM 281 CD2 LEU A 18 31.966 1.964 -3.254 1.00 0.00 C ATOM 0 H LEU A 18 29.053 -0.821 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 18 31.729 -1.533 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.238 -0.126 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.353 1.175 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 18 32.909 1.022 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.734 -0.077 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.960 -1.256 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.088 -0.660 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 18 32.910 2.280 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.265 1.694 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.551 2.781 -2.664 1.00 0.00 H new ATOM 293 N LEU A 19 31.231 0.714 1.347 1.00 0.00 N ATOM 294 CA LEU A 19 31.876 1.376 2.473 1.00 0.00 C ATOM 295 C LEU A 19 32.536 0.343 3.383 1.00 0.00 C ATOM 296 O LEU A 19 33.673 0.520 3.819 1.00 0.00 O ATOM 297 CB LEU A 19 30.840 2.180 3.264 1.00 0.00 C ATOM 298 CG LEU A 19 31.545 3.088 4.281 1.00 0.00 C ATOM 299 CD1 LEU A 19 30.673 4.312 4.569 1.00 0.00 C ATOM 300 CD2 LEU A 19 31.781 2.317 5.585 1.00 0.00 C ATOM 0 H LEU A 19 30.229 0.886 1.267 1.00 0.00 H new ATOM 0 HA LEU A 19 32.642 2.052 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.238 2.782 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.159 1.503 3.779 1.00 0.00 H new ATOM 0 HG LEU A 19 32.502 3.410 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 19 31.176 4.955 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 19 30.506 4.865 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.715 3.989 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.282 2.964 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.824 1.992 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.405 1.446 5.385 1.00 0.00 H new ATOM 312 N ALA A 20 31.841 -0.767 3.613 1.00 0.00 N ATOM 313 CA ALA A 20 32.349 -1.794 4.517 1.00 0.00 C ATOM 314 C ALA A 20 33.659 -2.377 3.996 1.00 0.00 C ATOM 315 O ALA A 20 34.632 -2.509 4.738 1.00 0.00 O ATOM 316 CB ALA A 20 31.317 -2.911 4.669 1.00 0.00 C ATOM 0 H ALA A 20 30.936 -0.977 3.192 1.00 0.00 H new ATOM 0 HA ALA A 20 32.534 -1.333 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.703 -3.674 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.393 -2.500 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.118 -3.357 3.695 1.00 0.00 H new ATOM 322 N CYS A 21 33.691 -2.691 2.707 1.00 0.00 N ATOM 323 CA CYS A 21 34.863 -3.329 2.117 1.00 0.00 C ATOM 324 C CYS A 21 36.086 -2.423 2.220 1.00 0.00 C ATOM 325 O CYS A 21 37.153 -2.852 2.657 1.00 0.00 O ATOM 326 CB CYS A 21 34.594 -3.658 0.648 1.00 0.00 C ATOM 327 SG CYS A 21 33.263 -4.880 0.537 1.00 0.00 S ATOM 0 H CYS A 21 32.927 -2.517 2.054 1.00 0.00 H new ATOM 0 HA CYS A 21 35.063 -4.248 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.318 -2.753 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.498 -4.046 0.180 1.00 0.00 H new ATOM 0 HG CYS A 21 33.032 -5.158 -0.712 1.00 0.00 H new ATOM 333 N ILE A 22 35.916 -1.162 1.843 1.00 0.00 N ATOM 334 CA ILE A 22 37.037 -0.227 1.825 1.00 0.00 C ATOM 335 C ILE A 22 37.632 -0.079 3.224 1.00 0.00 C ATOM 336 O ILE A 22 38.850 -0.112 3.396 1.00 0.00 O ATOM 337 CB ILE A 22 36.573 1.135 1.292 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.001 0.960 -0.117 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.753 2.112 1.225 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.340 2.264 -0.566 1.00 0.00 C ATOM 0 H ILE A 22 35.024 -0.765 1.548 1.00 0.00 H new ATOM 0 HA ILE A 22 37.811 -0.618 1.165 1.00 0.00 H new ATOM 0 HB ILE A 22 35.812 1.532 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.795 0.685 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.273 0.149 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.408 3.074 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.172 2.245 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.519 1.713 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 22 34.933 2.139 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.535 2.520 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.080 3.064 -0.572 1.00 0.00 H new ATOM 352 N PHE A 23 36.769 0.059 4.224 1.00 0.00 N ATOM 353 CA PHE A 23 37.235 0.276 5.588 1.00 0.00 C ATOM 354 C PHE A 23 38.073 -0.904 6.063 1.00 0.00 C ATOM 355 O PHE A 23 39.200 -0.736 6.531 1.00 0.00 O ATOM 356 CB PHE A 23 36.041 0.465 6.524 1.00 0.00 C ATOM 357 CG PHE A 23 36.435 0.839 7.933 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.664 -0.162 8.885 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.570 2.187 8.288 1.00 0.00 C ATOM 360 CE1 PHE A 23 37.028 0.185 10.191 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.935 2.533 9.594 1.00 0.00 C ATOM 362 CZ PHE A 23 37.164 1.533 10.546 1.00 0.00 C ATOM 0 H PHE A 23 35.755 0.025 4.118 1.00 0.00 H new ATOM 0 HA PHE A 23 37.853 1.174 5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.391 1.240 6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.460 -0.457 6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.560 -1.202 8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.392 2.959 7.554 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.204 -0.587 10.925 1.00 0.00 H new ATOM 0 HE2 PHE A 23 37.040 3.573 9.867 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.445 1.801 11.554 1.00 0.00 H new ATOM 372 N LEU A 24 37.541 -2.108 5.888 1.00 0.00 N ATOM 373 CA LEU A 24 38.192 -3.298 6.421 1.00 0.00 C ATOM 374 C LEU A 24 39.581 -3.469 5.814 1.00 0.00 C ATOM 375 O LEU A 24 40.562 -3.668 6.531 1.00 0.00 O ATOM 376 CB LEU A 24 37.342 -4.534 6.120 1.00 0.00 C ATOM 377 CG LEU A 24 37.951 -5.761 6.803 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.756 -5.653 8.316 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.258 -7.025 6.290 1.00 0.00 C ATOM 0 H LEU A 24 36.670 -2.285 5.387 1.00 0.00 H new ATOM 0 HA LEU A 24 38.295 -3.182 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.322 -4.380 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.287 -4.695 5.043 1.00 0.00 H new ATOM 0 HG LEU A 24 39.016 -5.811 6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 24 38.190 -6.527 8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.248 -4.752 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.691 -5.603 8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 24 37.691 -7.900 6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.193 -6.974 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.396 -7.103 5.212 1.00 0.00 H new ATOM 391 N ILE A 25 39.665 -3.358 4.493 1.00 0.00 N ATOM 392 CA ILE A 25 40.934 -3.578 3.807 1.00 0.00 C ATOM 393 C ILE A 25 41.965 -2.517 4.189 1.00 0.00 C ATOM 394 O ILE A 25 43.150 -2.823 4.324 1.00 0.00 O ATOM 395 CB ILE A 25 40.725 -3.619 2.288 1.00 0.00 C ATOM 396 CG1 ILE A 25 42.042 -3.995 1.603 1.00 0.00 C ATOM 397 CG2 ILE A 25 40.247 -2.262 1.769 1.00 0.00 C ATOM 398 CD1 ILE A 25 41.767 -4.404 0.154 1.00 0.00 C ATOM 0 H ILE A 25 38.883 -3.121 3.883 1.00 0.00 H new ATOM 0 HA ILE A 25 41.325 -4.544 4.126 1.00 0.00 H new ATOM 0 HB ILE A 25 39.963 -4.364 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 25 42.731 -3.151 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 25 42.521 -4.815 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.105 -2.315 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 25 39.302 -2.002 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.992 -1.501 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 25 42.705 -4.671 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.093 -5.261 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 25 41.307 -3.571 -0.378 1.00 0.00 H new ATOM 410 N LYS A 26 41.517 -1.281 4.397 1.00 0.00 N ATOM 411 CA LYS A 26 42.433 -0.198 4.738 1.00 0.00 C ATOM 412 C LYS A 26 43.167 -0.499 6.040 1.00 0.00 C ATOM 413 O LYS A 26 44.375 -0.289 6.146 1.00 0.00 O ATOM 414 CB LYS A 26 41.654 1.111 4.877 1.00 0.00 C ATOM 415 CG LYS A 26 42.628 2.273 5.085 1.00 0.00 C ATOM 416 CD LYS A 26 41.840 3.565 5.310 1.00 0.00 C ATOM 417 CE LYS A 26 42.804 4.752 5.361 1.00 0.00 C ATOM 418 NZ LYS A 26 42.033 6.022 5.263 1.00 0.00 N ATOM 0 H LYS A 26 40.536 -1.007 4.336 1.00 0.00 H new ATOM 0 HA LYS A 26 43.169 -0.104 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.053 1.284 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.964 1.047 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.272 2.073 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.277 2.377 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 26 41.116 3.706 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 26 41.276 3.501 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.375 4.731 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.522 4.686 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.688 6.829 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 41.507 6.041 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 41.364 6.084 6.057 1.00 0.00 H new ATOM 432 N ILE A 27 42.428 -0.990 7.029 1.00 0.00 N ATOM 433 CA ILE A 27 43.021 -1.302 8.327 1.00 0.00 C ATOM 434 C ILE A 27 44.003 -2.467 8.221 1.00 0.00 C ATOM 435 O ILE A 27 45.114 -2.400 8.746 1.00 0.00 O ATOM 436 CB ILE A 27 41.923 -1.637 9.347 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.885 -0.505 9.422 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.541 -1.847 10.733 1.00 0.00 C ATOM 439 CD1 ILE A 27 41.537 0.830 9.805 1.00 0.00 C ATOM 0 H ILE A 27 41.428 -1.179 6.960 1.00 0.00 H new ATOM 0 HA ILE A 27 43.569 -0.422 8.664 1.00 0.00 H new ATOM 0 HB ILE A 27 41.427 -2.552 9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.385 -0.404 8.459 1.00 0.00 H new ATOM 0 HG13 ILE A 27 40.119 -0.760 10.154 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.755 -2.084 11.450 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.255 -2.670 10.692 1.00 0.00 H new ATOM 0 HG23 ILE A 27 43.054 -0.937 11.045 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.775 1.608 9.849 1.00 0.00 H new ATOM 0 HD12 ILE A 27 42.015 0.735 10.780 1.00 0.00 H new ATOM 0 HD13 ILE A 27 42.285 1.097 9.059 1.00 0.00 H new ATOM 451 N LEU A 28 43.593 -3.533 7.541 1.00 0.00 N ATOM 452 CA LEU A 28 44.421 -4.732 7.450 1.00 0.00 C ATOM 453 C LEU A 28 45.762 -4.427 6.791 1.00 0.00 C ATOM 454 O LEU A 28 46.799 -4.943 7.208 1.00 0.00 O ATOM 455 CB LEU A 28 43.692 -5.811 6.646 1.00 0.00 C ATOM 456 CG LEU A 28 42.392 -6.199 7.354 1.00 0.00 C ATOM 457 CD1 LEU A 28 41.586 -7.140 6.458 1.00 0.00 C ATOM 458 CD2 LEU A 28 42.718 -6.911 8.669 1.00 0.00 C ATOM 0 H LEU A 28 42.701 -3.592 7.049 1.00 0.00 H new ATOM 0 HA LEU A 28 44.607 -5.090 8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.475 -5.445 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.331 -6.687 6.534 1.00 0.00 H new ATOM 0 HG LEU A 28 41.810 -5.300 7.560 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.660 -7.417 6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.353 -6.638 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.170 -8.037 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.792 -7.187 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.300 -7.809 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.295 -6.245 9.310 1.00 0.00 H new