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 69:sc= 0.0199 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.674 2.333 -0.544 1.00 0.00 N ATOM 179 CA PRO A 12 21.328 2.474 0.795 1.00 0.00 C ATOM 180 C PRO A 12 22.297 1.336 1.112 1.00 0.00 C ATOM 181 O PRO A 12 23.502 1.551 1.224 1.00 0.00 O ATOM 182 CB PRO A 12 20.159 2.480 1.782 1.00 0.00 C ATOM 183 CG PRO A 12 19.002 3.017 1.012 1.00 0.00 C ATOM 184 CD PRO A 12 19.230 2.633 -0.450 1.00 0.00 C ATOM 0 HA PRO A 12 21.940 3.375 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.953 1.477 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.379 3.103 2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.065 2.599 1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.933 4.099 1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.628 1.769 -0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.951 3.446 -1.120 1.00 0.00 H new ATOM 192 N THR A 13 21.773 0.121 1.232 1.00 0.00 N ATOM 193 CA THR A 13 22.596 -1.025 1.626 1.00 0.00 C ATOM 194 C THR A 13 23.723 -1.322 0.629 1.00 0.00 C ATOM 195 O THR A 13 24.722 -1.942 0.991 1.00 0.00 O ATOM 196 CB THR A 13 21.714 -2.268 1.769 1.00 0.00 C ATOM 197 OG1 THR A 13 21.123 -2.572 0.514 1.00 0.00 O ATOM 198 CG2 THR A 13 20.618 -2.010 2.805 1.00 0.00 C ATOM 0 H THR A 13 20.791 -0.099 1.065 1.00 0.00 H new ATOM 0 HA THR A 13 23.061 -0.768 2.578 1.00 0.00 H new ATOM 0 HB THR A 13 22.324 -3.109 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.559 -3.369 0.602 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.993 -2.898 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.074 -1.780 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.004 -1.168 2.484 1.00 0.00 H new ATOM 206 N SER A 14 23.606 -0.831 -0.600 1.00 0.00 N ATOM 207 CA SER A 14 24.548 -1.198 -1.655 1.00 0.00 C ATOM 208 C SER A 14 25.805 -0.355 -1.522 1.00 0.00 C ATOM 209 O SER A 14 26.926 -0.864 -1.505 1.00 0.00 O ATOM 210 CB SER A 14 23.916 -0.972 -3.028 1.00 0.00 C ATOM 211 OG SER A 14 24.782 -1.486 -4.031 1.00 0.00 O ATOM 0 H SER A 14 22.874 -0.182 -0.891 1.00 0.00 H new ATOM 0 HA SER A 14 24.803 -2.253 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.946 -1.466 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.742 0.092 -3.191 1.00 0.00 H new ATOM 0 HG SER A 14 24.380 -1.345 -4.914 1.00 0.00 H new ATOM 217 N ILE A 15 25.594 0.945 -1.388 1.00 0.00 N ATOM 218 CA ILE A 15 26.690 1.863 -1.113 1.00 0.00 C ATOM 219 C ILE A 15 27.334 1.496 0.222 1.00 0.00 C ATOM 220 O ILE A 15 28.556 1.517 0.354 1.00 0.00 O ATOM 221 CB ILE A 15 26.176 3.307 -1.056 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.412 3.665 -2.342 1.00 0.00 C ATOM 223 CG2 ILE A 15 27.355 4.265 -0.879 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.301 3.502 -3.582 1.00 0.00 C ATOM 0 H ILE A 15 24.678 1.388 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 15 27.427 1.785 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 15 25.495 3.399 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 15 24.533 3.027 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 15 25.054 4.693 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.988 5.290 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.878 4.030 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 15 28.040 4.158 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 15 25.732 3.763 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 15 27.166 4.160 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 15 26.637 2.468 -3.655 1.00 0.00 H new ATOM 236 N LEU A 16 26.507 1.129 1.201 1.00 0.00 N ATOM 237 CA LEU A 16 27.025 0.732 2.504 1.00 0.00 C ATOM 238 C LEU A 16 27.937 -0.486 2.365 1.00 0.00 C ATOM 239 O LEU A 16 28.987 -0.563 3.001 1.00 0.00 O ATOM 240 CB LEU A 16 25.868 0.406 3.451 1.00 0.00 C ATOM 241 CG LEU A 16 26.413 0.131 4.855 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.911 1.438 5.475 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.300 -0.453 5.727 1.00 0.00 C ATOM 0 H LEU A 16 25.491 1.099 1.117 1.00 0.00 H new ATOM 0 HA LEU A 16 27.603 1.560 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.164 1.237 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.320 -0.463 3.086 1.00 0.00 H new ATOM 0 HG LEU A 16 27.238 -0.579 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 16 27.299 1.242 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.703 1.857 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.086 2.148 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.686 -0.649 6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 16 24.476 0.258 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.943 -1.384 5.287 1.00 0.00 H new ATOM 255 N LEU A 17 27.549 -1.423 1.504 1.00 0.00 N ATOM 256 CA LEU A 17 28.309 -2.660 1.347 1.00 0.00 C ATOM 257 C LEU A 17 29.699 -2.366 0.796 1.00 0.00 C ATOM 258 O LEU A 17 30.708 -2.853 1.310 1.00 0.00 O ATOM 259 CB LEU A 17 27.567 -3.605 0.399 1.00 0.00 C ATOM 260 CG LEU A 17 28.288 -4.954 0.340 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.086 -5.700 1.659 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.712 -5.787 -0.808 1.00 0.00 C ATOM 0 H LEU A 17 26.723 -1.352 0.910 1.00 0.00 H new ATOM 0 HA LEU A 17 28.413 -3.133 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.541 -3.745 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.514 -3.167 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 17 29.353 -4.790 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.600 -6.660 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.493 -5.107 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.021 -5.865 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.224 -6.748 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 17 26.647 -5.950 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.854 -5.256 -1.750 1.00 0.00 H new ATOM 274 N LEU A 18 29.749 -1.535 -0.237 1.00 0.00 N ATOM 275 CA LEU A 18 31.021 -1.156 -0.836 1.00 0.00 C ATOM 276 C LEU A 18 31.900 -0.472 0.205 1.00 0.00 C ATOM 277 O LEU A 18 33.089 -0.764 0.319 1.00 0.00 O ATOM 278 CB LEU A 18 30.784 -0.209 -2.016 1.00 0.00 C ATOM 279 CG LEU A 18 32.111 0.075 -2.723 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.556 -1.171 -3.492 1.00 0.00 C ATOM 281 CD2 LEU A 18 31.926 1.236 -3.701 1.00 0.00 C ATOM 0 H LEU A 18 28.930 -1.113 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 18 31.524 -2.054 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.076 -0.654 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.342 0.723 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 18 32.869 0.336 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.501 -0.969 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.685 -2.001 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.799 -1.432 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 18 32.870 1.440 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.169 0.972 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.607 2.124 -3.155 1.00 0.00 H new ATOM 293 N LEU A 19 31.294 0.410 0.995 1.00 0.00 N ATOM 294 CA LEU A 19 32.030 1.105 2.044 1.00 0.00 C ATOM 295 C LEU A 19 32.652 0.102 3.011 1.00 0.00 C ATOM 296 O LEU A 19 33.795 0.264 3.436 1.00 0.00 O ATOM 297 CB LEU A 19 31.091 2.042 2.807 1.00 0.00 C ATOM 298 CG LEU A 19 31.894 2.873 3.809 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.748 3.895 3.056 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.934 3.606 4.748 1.00 0.00 C ATOM 0 H LEU A 19 30.307 0.658 0.930 1.00 0.00 H new ATOM 0 HA LEU A 19 32.826 1.689 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.571 2.699 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.329 1.463 3.328 1.00 0.00 H new ATOM 0 HG LEU A 19 32.541 2.216 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.320 4.487 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.432 3.374 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 19 32.101 4.552 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.505 4.198 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.287 4.263 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.324 2.879 5.285 1.00 0.00 H new ATOM 312 N ALA A 20 31.910 -0.954 3.329 1.00 0.00 N ATOM 313 CA ALA A 20 32.388 -1.949 4.282 1.00 0.00 C ATOM 314 C ALA A 20 33.666 -2.609 3.776 1.00 0.00 C ATOM 315 O ALA A 20 34.638 -2.757 4.517 1.00 0.00 O ATOM 316 CB ALA A 20 31.315 -3.016 4.505 1.00 0.00 C ATOM 0 H ALA A 20 30.984 -1.142 2.945 1.00 0.00 H new ATOM 0 HA ALA A 20 32.603 -1.446 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.680 -3.755 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.412 -2.548 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.087 -3.506 3.559 1.00 0.00 H new ATOM 322 N CYS A 21 33.675 -2.971 2.498 1.00 0.00 N ATOM 323 CA CYS A 21 34.821 -3.665 1.923 1.00 0.00 C ATOM 324 C CYS A 21 36.071 -2.796 2.012 1.00 0.00 C ATOM 325 O CYS A 21 37.110 -3.227 2.509 1.00 0.00 O ATOM 326 CB CYS A 21 34.542 -4.015 0.461 1.00 0.00 C ATOM 327 SG CYS A 21 33.188 -5.213 0.376 1.00 0.00 S ATOM 0 H CYS A 21 32.910 -2.798 1.846 1.00 0.00 H new ATOM 0 HA CYS A 21 34.988 -4.582 2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.281 -3.115 -0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.438 -4.429 -0.002 1.00 0.00 H new ATOM 0 HG CYS A 21 32.076 -4.637 0.726 1.00 0.00 H new ATOM 333 N ILE A 22 35.948 -1.551 1.566 1.00 0.00 N ATOM 334 CA ILE A 22 37.096 -0.649 1.548 1.00 0.00 C ATOM 335 C ILE A 22 37.648 -0.461 2.958 1.00 0.00 C ATOM 336 O ILE A 22 38.860 -0.473 3.169 1.00 0.00 O ATOM 337 CB ILE A 22 36.696 0.709 0.953 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.074 0.529 -0.441 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.926 1.616 0.848 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.040 -0.177 -1.402 1.00 0.00 C ATOM 0 H ILE A 22 35.079 -1.147 1.217 1.00 0.00 H new ATOM 0 HA ILE A 22 37.873 -1.091 0.925 1.00 0.00 H new ATOM 0 HB ILE A 22 35.958 1.167 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 22 35.154 -0.050 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.802 1.503 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.634 2.577 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.350 1.770 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.670 1.147 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 22 36.567 -0.287 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.949 0.416 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 22 37.291 -1.161 -1.007 1.00 0.00 H new ATOM 352 N PHE A 23 36.753 -0.309 3.928 1.00 0.00 N ATOM 353 CA PHE A 23 37.169 -0.073 5.305 1.00 0.00 C ATOM 354 C PHE A 23 38.042 -1.223 5.796 1.00 0.00 C ATOM 355 O PHE A 23 39.104 -1.011 6.383 1.00 0.00 O ATOM 356 CB PHE A 23 35.938 0.067 6.202 1.00 0.00 C ATOM 357 CG PHE A 23 36.255 0.545 7.599 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.455 1.910 7.840 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.341 -0.373 8.653 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.742 2.356 9.135 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.630 0.075 9.947 1.00 0.00 C ATOM 362 CZ PHE A 23 36.830 1.440 10.189 1.00 0.00 C ATOM 0 H PHE A 23 35.743 -0.345 3.788 1.00 0.00 H new ATOM 0 HA PHE A 23 37.748 0.849 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.240 0.764 5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.433 -0.897 6.263 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.388 2.618 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.185 -1.425 8.468 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.896 3.409 9.321 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.699 -0.633 10.760 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.052 1.785 11.188 1.00 0.00 H new ATOM 372 N LEU A 24 37.607 -2.447 5.519 1.00 0.00 N ATOM 373 CA LEU A 24 38.349 -3.625 5.956 1.00 0.00 C ATOM 374 C LEU A 24 39.768 -3.597 5.395 1.00 0.00 C ATOM 375 O LEU A 24 40.735 -3.889 6.100 1.00 0.00 O ATOM 376 CB LEU A 24 37.634 -4.895 5.489 1.00 0.00 C ATOM 377 CG LEU A 24 38.339 -6.126 6.064 1.00 0.00 C ATOM 378 CD1 LEU A 24 38.081 -6.206 7.569 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.792 -7.386 5.389 1.00 0.00 C ATOM 0 H LEU A 24 36.753 -2.649 4.999 1.00 0.00 H new ATOM 0 HA LEU A 24 38.400 -3.620 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.593 -4.877 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.630 -4.942 4.400 1.00 0.00 H new ATOM 0 HG LEU A 24 39.411 -6.048 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 24 38.583 -7.083 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.467 -5.308 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 24 37.009 -6.284 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 24 38.293 -8.264 5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.720 -7.461 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.973 -7.331 4.315 1.00 0.00 H new ATOM 391 N ILE A 25 39.889 -3.216 4.129 1.00 0.00 N ATOM 392 CA ILE A 25 41.198 -3.143 3.489 1.00 0.00 C ATOM 393 C ILE A 25 42.094 -2.167 4.247 1.00 0.00 C ATOM 394 O ILE A 25 43.261 -2.455 4.506 1.00 0.00 O ATOM 395 CB ILE A 25 41.046 -2.705 2.027 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.148 -3.701 1.291 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.414 -2.671 1.337 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.834 -3.169 -0.108 1.00 0.00 C ATOM 0 H ILE A 25 39.106 -2.955 3.530 1.00 0.00 H new ATOM 0 HA ILE A 25 41.660 -4.130 3.509 1.00 0.00 H new ATOM 0 HB ILE A 25 40.605 -1.708 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.643 -4.670 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.224 -3.855 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.291 -2.359 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.065 -1.966 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.861 -3.665 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.194 -3.879 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.322 -2.210 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.762 -3.038 -0.664 1.00 0.00 H new ATOM 410 N LYS A 26 41.536 -1.021 4.617 1.00 0.00 N ATOM 411 CA LYS A 26 42.309 0.001 5.315 1.00 0.00 C ATOM 412 C LYS A 26 42.891 -0.547 6.615 1.00 0.00 C ATOM 413 O LYS A 26 44.025 -0.234 6.979 1.00 0.00 O ATOM 414 CB LYS A 26 41.426 1.210 5.631 1.00 0.00 C ATOM 415 CG LYS A 26 40.969 1.873 4.330 1.00 0.00 C ATOM 416 CD LYS A 26 40.184 3.145 4.659 1.00 0.00 C ATOM 417 CE LYS A 26 39.619 3.757 3.375 1.00 0.00 C ATOM 418 NZ LYS A 26 39.462 5.228 3.556 1.00 0.00 N ATOM 0 H LYS A 26 40.560 -0.776 4.448 1.00 0.00 H new ATOM 0 HA LYS A 26 43.127 0.305 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.560 0.897 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 26 41.978 1.926 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 26 41.832 2.115 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 26 40.346 1.186 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 26 39.373 2.913 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 26 40.833 3.864 5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 26 40.285 3.551 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 26 38.657 3.304 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 39.078 5.646 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 38.810 5.413 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 40.388 5.653 3.765 1.00 0.00 H new ATOM 432 N ILE A 27 42.107 -1.361 7.314 1.00 0.00 N ATOM 433 CA ILE A 27 42.556 -1.940 8.577 1.00 0.00 C ATOM 434 C ILE A 27 43.764 -2.845 8.350 1.00 0.00 C ATOM 435 O ILE A 27 44.771 -2.743 9.051 1.00 0.00 O ATOM 436 CB ILE A 27 41.419 -2.744 9.224 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.199 -1.842 9.427 1.00 0.00 C ATOM 438 CG2 ILE A 27 41.864 -3.283 10.589 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.010 -2.692 9.883 1.00 0.00 C ATOM 0 H ILE A 27 41.166 -1.634 7.032 1.00 0.00 H new ATOM 0 HA ILE A 27 42.845 -1.128 9.245 1.00 0.00 H new ATOM 0 HB ILE A 27 41.164 -3.576 8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.419 -1.076 10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 27 39.956 -1.325 8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.050 -3.851 11.039 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.731 -3.931 10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.128 -2.450 11.241 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.140 -2.052 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 27 38.786 -3.442 9.124 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.256 -3.188 10.822 1.00 0.00 H new ATOM 451 N LEU A 28 43.653 -3.728 7.365 1.00 0.00 N ATOM 452 CA LEU A 28 44.706 -4.705 7.106 1.00 0.00 C ATOM 453 C LEU A 28 46.021 -4.011 6.768 1.00 0.00 C ATOM 454 O LEU A 28 47.086 -4.415 7.235 1.00 0.00 O ATOM 455 CB LEU A 28 44.294 -5.618 5.948 1.00 0.00 C ATOM 456 CG LEU A 28 45.326 -6.735 5.775 1.00 0.00 C ATOM 457 CD1 LEU A 28 45.217 -7.716 6.944 1.00 0.00 C ATOM 458 CD2 LEU A 28 45.059 -7.475 4.464 1.00 0.00 C ATOM 0 H LEU A 28 42.852 -3.789 6.737 1.00 0.00 H new ATOM 0 HA LEU A 28 44.850 -5.300 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.311 -6.046 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.213 -5.039 5.028 1.00 0.00 H new ATOM 0 HG LEU A 28 46.327 -6.305 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 28 45.952 -8.512 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 28 45.405 -7.189 7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 44.216 -8.147 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 28 45.793 -8.271 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 44.058 -7.905 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 28 45.135 -6.777 3.630 1.00 0.00 H new