USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 605 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 Set 1.1: A 47 TYR OH : rot -27:sc= 1.51 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 137:sc= 0.776 (180deg=0) USER MOD Set 2.1: A 38 MET CE :methyl -142:sc= -1.05 (180deg=-2.25!) USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.0269 (180deg=-0.2) USER MOD Single : A 18 GLN : amide:sc= -2.53 X(o=-2.5,f=-2.8) USER MOD Single : A 26 TYR OH : rot 11:sc= 1.27 USER MOD Single : A 27 MET CE :methyl 153:sc= -1.63 (180deg=-3.52!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -5.68! C(o=-5.7!,f=-13!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 165:sc= -0.308 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 21:sc= 0.659! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.297 USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.584) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.082 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.953 K(o=0.95,f=-0.45) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.585 -0.816 12.015 1.00 0.00 N ATOM 193 CA LYS A 13 1.573 -1.316 10.644 1.00 0.00 C ATOM 194 C LYS A 13 0.507 -0.587 9.829 1.00 0.00 C ATOM 195 O LYS A 13 -0.569 -0.274 10.338 1.00 0.00 O ATOM 196 CB LYS A 13 1.300 -2.828 10.639 1.00 0.00 C ATOM 197 CG LYS A 13 0.997 -3.412 9.261 1.00 0.00 C ATOM 198 CD LYS A 13 2.182 -4.191 8.714 1.00 0.00 C ATOM 199 CE LYS A 13 1.733 -5.377 7.877 1.00 0.00 C ATOM 200 NZ LYS A 13 1.751 -6.647 8.656 1.00 0.00 N ATOM 0 HA LYS A 13 2.548 -1.132 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.166 -3.342 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.459 -3.035 11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.128 -4.067 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.740 -2.607 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.803 -3.532 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.801 -4.541 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.726 -5.196 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.384 -5.475 7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.438 -7.431 8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.717 -6.834 8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.110 -6.563 9.471 1.00 0.00 H new ATOM 214 N PRO A 14 0.797 -0.294 8.546 1.00 0.00 N ATOM 215 CA PRO A 14 -0.141 0.413 7.674 1.00 0.00 C ATOM 216 C PRO A 14 -1.448 -0.350 7.512 1.00 0.00 C ATOM 217 O PRO A 14 -1.527 -1.541 7.812 1.00 0.00 O ATOM 218 CB PRO A 14 0.597 0.515 6.334 1.00 0.00 C ATOM 219 CG PRO A 14 2.034 0.293 6.658 1.00 0.00 C ATOM 220 CD PRO A 14 2.060 -0.613 7.855 1.00 0.00 C ATOM 0 HA PRO A 14 -0.420 1.385 8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.234 -0.231 5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.444 1.491 5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.557 -0.160 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.534 1.237 6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.106 -1.663 7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.926 -0.419 8.488 1.00 0.00 H new ATOM 228 N VAL A 15 -2.478 0.351 7.058 1.00 0.00 N ATOM 229 CA VAL A 15 -3.792 -0.249 6.883 1.00 0.00 C ATOM 230 C VAL A 15 -3.851 -1.160 5.659 1.00 0.00 C ATOM 231 O VAL A 15 -3.608 -0.729 4.522 1.00 0.00 O ATOM 232 CB VAL A 15 -4.890 0.826 6.779 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.863 1.732 8.002 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.737 1.634 5.499 1.00 0.00 C ATOM 0 H VAL A 15 -2.428 1.338 6.804 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.971 -0.857 7.770 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.858 0.327 6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.645 2.486 7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.033 1.137 8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.892 2.222 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.524 2.387 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.764 2.125 5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.814 0.970 4.638 1.00 0.00 H new ATOM 244 N LYS A 16 -4.194 -2.422 5.914 1.00 0.00 N ATOM 245 CA LYS A 16 -4.321 -3.426 4.868 1.00 0.00 C ATOM 246 C LYS A 16 -5.776 -3.874 4.760 1.00 0.00 C ATOM 247 O LYS A 16 -6.527 -3.790 5.732 1.00 0.00 O ATOM 248 CB LYS A 16 -3.421 -4.631 5.167 1.00 0.00 C ATOM 249 CG LYS A 16 -3.653 -5.245 6.539 1.00 0.00 C ATOM 250 CD LYS A 16 -3.410 -6.747 6.524 1.00 0.00 C ATOM 251 CE LYS A 16 -2.255 -7.136 7.433 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.542 -6.824 8.861 1.00 0.00 N ATOM 0 H LYS A 16 -4.391 -2.773 6.851 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.007 -2.988 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.586 -5.393 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.379 -4.322 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.991 -4.775 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.675 -5.043 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.314 -7.266 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.197 -7.072 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.054 -8.202 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.354 -6.609 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.953 -7.424 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.327 -5.824 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.546 -7.006 9.061 1.00 0.00 H new ATOM 266 N PHE A 17 -6.177 -4.336 3.583 1.00 0.00 N ATOM 267 CA PHE A 17 -7.552 -4.777 3.375 1.00 0.00 C ATOM 268 C PHE A 17 -7.638 -5.816 2.265 1.00 0.00 C ATOM 269 O PHE A 17 -6.678 -6.039 1.532 1.00 0.00 O ATOM 270 CB PHE A 17 -8.439 -3.581 3.031 1.00 0.00 C ATOM 271 CG PHE A 17 -7.870 -2.708 1.950 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.999 -3.061 0.616 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.202 -1.536 2.267 1.00 0.00 C ATOM 274 CE1 PHE A 17 -7.473 -2.262 -0.381 1.00 0.00 C ATOM 275 CE2 PHE A 17 -6.675 -0.733 1.276 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.809 -1.094 -0.050 1.00 0.00 C ATOM 0 H PHE A 17 -5.576 -4.415 2.763 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.900 -5.236 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.418 -3.943 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.592 -2.982 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.517 -3.971 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.092 -1.248 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.580 -2.549 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.158 0.178 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.397 -0.467 -0.826 1.00 0.00 H new ATOM 286 N GLN A 18 -8.802 -6.444 2.146 1.00 0.00 N ATOM 287 CA GLN A 18 -9.025 -7.456 1.122 1.00 0.00 C ATOM 288 C GLN A 18 -9.848 -6.881 -0.025 1.00 0.00 C ATOM 289 O GLN A 18 -10.906 -6.290 0.192 1.00 0.00 O ATOM 290 CB GLN A 18 -9.740 -8.669 1.720 1.00 0.00 C ATOM 291 CG GLN A 18 -9.319 -9.988 1.095 1.00 0.00 C ATOM 292 CD GLN A 18 -10.500 -10.878 0.766 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.524 -10.413 0.265 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.362 -12.167 1.047 1.00 0.00 N ATOM 0 H GLN A 18 -9.607 -6.269 2.748 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.056 -7.772 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.544 -8.705 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.816 -8.544 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.753 -9.791 0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.652 -10.513 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.495 -12.509 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.123 -12.817 0.848 1.00 0.00 H new ATOM 303 N LEU A 19 -9.354 -7.051 -1.246 1.00 0.00 N ATOM 304 CA LEU A 19 -10.045 -6.541 -2.424 1.00 0.00 C ATOM 305 C LEU A 19 -10.652 -7.674 -3.249 1.00 0.00 C ATOM 306 O LEU A 19 -11.577 -7.454 -4.031 1.00 0.00 O ATOM 307 CB LEU A 19 -9.085 -5.714 -3.285 1.00 0.00 C ATOM 308 CG LEU A 19 -9.283 -4.199 -3.208 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.386 -3.494 -4.214 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.742 -3.837 -3.451 1.00 0.00 C ATOM 0 H LEU A 19 -8.480 -7.537 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.860 -5.902 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.063 -5.946 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.193 -6.026 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.008 -3.867 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.539 -2.417 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.343 -3.726 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.632 -3.833 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.863 -2.755 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.043 -4.183 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.366 -4.314 -2.695 1.00 0.00 H new ATOM 322 N GLU A 20 -10.133 -8.887 -3.072 1.00 0.00 N ATOM 323 CA GLU A 20 -10.637 -10.042 -3.808 1.00 0.00 C ATOM 324 C GLU A 20 -10.979 -11.189 -2.862 1.00 0.00 C ATOM 325 O GLU A 20 -10.298 -11.409 -1.861 1.00 0.00 O ATOM 326 CB GLU A 20 -9.614 -10.511 -4.846 1.00 0.00 C ATOM 327 CG GLU A 20 -8.859 -9.376 -5.519 1.00 0.00 C ATOM 328 CD GLU A 20 -9.710 -8.623 -6.522 1.00 0.00 C ATOM 329 OE1 GLU A 20 -10.350 -9.281 -7.370 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.738 -7.376 -6.460 1.00 0.00 O ATOM 0 H GLU A 20 -9.369 -9.094 -2.429 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.547 -9.734 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.898 -11.175 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.127 -11.097 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.501 -8.682 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.980 -9.778 -6.023 1.00 0.00 H new ATOM 337 N ASP A 21 -12.038 -11.918 -3.194 1.00 0.00 N ATOM 338 CA ASP A 21 -12.489 -13.049 -2.388 1.00 0.00 C ATOM 339 C ASP A 21 -11.459 -14.179 -2.367 1.00 0.00 C ATOM 340 O ASP A 21 -11.578 -15.119 -1.580 1.00 0.00 O ATOM 341 CB ASP A 21 -13.823 -13.575 -2.919 1.00 0.00 C ATOM 342 CG ASP A 21 -13.770 -13.892 -4.401 1.00 0.00 C ATOM 343 OD1 ASP A 21 -12.967 -14.766 -4.791 1.00 0.00 O ATOM 344 OD2 ASP A 21 -14.532 -13.269 -5.169 1.00 0.00 O ATOM 0 H ASP A 21 -12.606 -11.745 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.616 -12.693 -1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.102 -14.473 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.601 -12.834 -2.736 1.00 0.00 H new ATOM 349 N ASP A 22 -10.460 -14.098 -3.242 1.00 0.00 N ATOM 350 CA ASP A 22 -9.432 -15.133 -3.325 1.00 0.00 C ATOM 351 C ASP A 22 -8.360 -14.957 -2.248 1.00 0.00 C ATOM 352 O ASP A 22 -7.420 -15.749 -2.170 1.00 0.00 O ATOM 353 CB ASP A 22 -8.782 -15.119 -4.708 1.00 0.00 C ATOM 354 CG ASP A 22 -8.248 -13.750 -5.083 1.00 0.00 C ATOM 355 OD1 ASP A 22 -7.713 -13.058 -4.190 1.00 0.00 O ATOM 356 OD2 ASP A 22 -8.364 -13.370 -6.266 1.00 0.00 O ATOM 0 H ASP A 22 -10.340 -13.329 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.920 -16.094 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.967 -15.842 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.512 -15.438 -5.452 1.00 0.00 H new ATOM 361 N GLY A 23 -8.504 -13.930 -1.414 1.00 0.00 N ATOM 362 CA GLY A 23 -7.539 -13.702 -0.354 1.00 0.00 C ATOM 363 C GLY A 23 -6.499 -12.654 -0.704 1.00 0.00 C ATOM 364 O GLY A 23 -5.424 -12.619 -0.106 1.00 0.00 O ATOM 0 H GLY A 23 -9.268 -13.255 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.067 -13.393 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.035 -14.641 -0.123 1.00 0.00 H new ATOM 368 N GLU A 24 -6.815 -11.793 -1.666 1.00 0.00 N ATOM 369 CA GLU A 24 -5.888 -10.743 -2.070 1.00 0.00 C ATOM 370 C GLU A 24 -5.942 -9.576 -1.090 1.00 0.00 C ATOM 371 O GLU A 24 -6.978 -8.925 -0.941 1.00 0.00 O ATOM 372 CB GLU A 24 -6.210 -10.260 -3.488 1.00 0.00 C ATOM 373 CG GLU A 24 -5.121 -10.578 -4.499 1.00 0.00 C ATOM 374 CD GLU A 24 -5.575 -10.370 -5.930 1.00 0.00 C ATOM 375 OE1 GLU A 24 -5.590 -9.207 -6.385 1.00 0.00 O ATOM 376 OE2 GLU A 24 -5.916 -11.370 -6.596 1.00 0.00 O ATOM 0 H GLU A 24 -7.698 -11.801 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.879 -11.155 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.144 -10.717 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.373 -9.182 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.253 -9.949 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.801 -11.612 -4.370 1.00 0.00 H new ATOM 383 N PHE A 25 -4.824 -9.319 -0.420 1.00 0.00 N ATOM 384 CA PHE A 25 -4.749 -8.237 0.551 1.00 0.00 C ATOM 385 C PHE A 25 -3.854 -7.108 0.053 1.00 0.00 C ATOM 386 O PHE A 25 -2.725 -7.338 -0.381 1.00 0.00 O ATOM 387 CB PHE A 25 -4.225 -8.761 1.890 1.00 0.00 C ATOM 388 CG PHE A 25 -5.312 -9.135 2.855 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.648 -8.294 3.906 1.00 0.00 C ATOM 390 CD2 PHE A 25 -6.001 -10.328 2.709 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.651 -8.640 4.792 1.00 0.00 C ATOM 392 CE2 PHE A 25 -7.003 -10.678 3.592 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.329 -9.832 4.635 1.00 0.00 C ATOM 0 H PHE A 25 -3.958 -9.846 -0.532 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.756 -7.841 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.596 -9.632 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.592 -8.000 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.121 -7.360 4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.751 -10.992 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.904 -7.978 5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.531 -11.612 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.113 -10.103 5.326 1.00 0.00 H new ATOM 403 N TYR A 26 -4.366 -5.886 0.131 1.00 0.00 N ATOM 404 CA TYR A 26 -3.621 -4.712 -0.298 1.00 0.00 C ATOM 405 C TYR A 26 -3.460 -3.733 0.854 1.00 0.00 C ATOM 406 O TYR A 26 -4.121 -3.851 1.885 1.00 0.00 O ATOM 407 CB TYR A 26 -4.314 -4.016 -1.467 1.00 0.00 C ATOM 408 CG TYR A 26 -4.320 -4.830 -2.739 1.00 0.00 C ATOM 409 CD1 TYR A 26 -5.245 -5.847 -2.935 1.00 0.00 C ATOM 410 CD2 TYR A 26 -3.395 -4.580 -3.745 1.00 0.00 C ATOM 411 CE1 TYR A 26 -5.248 -6.593 -4.099 1.00 0.00 C ATOM 412 CE2 TYR A 26 -3.392 -5.320 -4.911 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.319 -6.326 -5.083 1.00 0.00 C ATOM 414 OH TYR A 26 -4.319 -7.066 -6.243 1.00 0.00 O ATOM 0 H TYR A 26 -5.299 -5.683 0.489 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.637 -5.047 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.342 -3.790 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.819 -3.064 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.973 -6.059 -2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.666 -3.794 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.974 -7.381 -4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.667 -5.112 -5.684 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.137 -7.604 -6.288 1.00 0.00 H new ATOM 424 N MET A 27 -2.579 -2.766 0.666 1.00 0.00 N ATOM 425 CA MET A 27 -2.325 -1.756 1.683 1.00 0.00 C ATOM 426 C MET A 27 -2.330 -0.367 1.065 1.00 0.00 C ATOM 427 O MET A 27 -2.005 -0.204 -0.114 1.00 0.00 O ATOM 428 CB MET A 27 -0.984 -2.019 2.368 1.00 0.00 C ATOM 429 CG MET A 27 -1.096 -2.941 3.569 1.00 0.00 C ATOM 430 SD MET A 27 0.178 -2.634 4.806 1.00 0.00 S ATOM 431 CE MET A 27 1.233 -4.058 4.568 1.00 0.00 C ATOM 0 H MET A 27 -2.025 -2.657 -0.184 1.00 0.00 H new ATOM 0 HA MET A 27 -3.118 -1.810 2.428 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.294 -2.456 1.646 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.554 -1.069 2.686 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.078 -2.817 4.026 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.029 -3.976 3.234 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.251 -3.811 4.868 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.867 -4.887 5.174 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.224 -4.346 3.517 1.00 0.00 H new ATOM 441 N ILE A 28 -2.701 0.635 1.858 1.00 0.00 N ATOM 442 CA ILE A 28 -2.738 2.006 1.357 1.00 0.00 C ATOM 443 C ILE A 28 -1.338 2.614 1.320 1.00 0.00 C ATOM 444 O ILE A 28 -0.670 2.739 2.350 1.00 0.00 O ATOM 445 CB ILE A 28 -3.673 2.905 2.188 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.010 2.204 2.426 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.894 4.226 1.469 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.033 3.068 3.134 1.00 0.00 C ATOM 0 H ILE A 28 -2.976 0.527 2.834 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.134 1.955 0.343 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.207 3.100 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.418 1.885 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.838 1.303 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.556 4.857 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.938 4.731 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.347 4.039 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.956 2.504 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.646 3.366 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.235 3.957 2.536 1.00 0.00 H new ATOM 460 N GLY A 29 -0.897 2.983 0.118 1.00 0.00 N ATOM 461 CA GLY A 29 0.428 3.556 -0.050 1.00 0.00 C ATOM 462 C GLY A 29 0.669 4.760 0.833 1.00 0.00 C ATOM 463 O GLY A 29 1.795 4.999 1.266 1.00 0.00 O ATOM 0 H GLY A 29 -1.436 2.895 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.177 2.795 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.563 3.844 -1.092 1.00 0.00 H new ATOM 467 N SER A 30 -0.383 5.516 1.116 1.00 0.00 N ATOM 468 CA SER A 30 -0.261 6.687 1.972 1.00 0.00 C ATOM 469 C SER A 30 0.224 6.270 3.356 1.00 0.00 C ATOM 470 O SER A 30 1.075 6.930 3.962 1.00 0.00 O ATOM 471 CB SER A 30 -1.601 7.415 2.081 1.00 0.00 C ATOM 472 OG SER A 30 -1.857 8.190 0.922 1.00 0.00 O ATOM 0 H SER A 30 -1.325 5.341 0.767 1.00 0.00 H new ATOM 0 HA SER A 30 0.466 7.368 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.402 6.689 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.598 8.060 2.960 1.00 0.00 H new ATOM 0 HG SER A 30 -2.720 8.644 1.016 1.00 0.00 H new ATOM 478 N GLU A 31 -0.313 5.153 3.843 1.00 0.00 N ATOM 479 CA GLU A 31 0.071 4.633 5.145 1.00 0.00 C ATOM 480 C GLU A 31 1.489 4.090 5.089 1.00 0.00 C ATOM 481 O GLU A 31 2.275 4.271 6.018 1.00 0.00 O ATOM 482 CB GLU A 31 -0.901 3.542 5.594 1.00 0.00 C ATOM 483 CG GLU A 31 -2.306 4.055 5.861 1.00 0.00 C ATOM 484 CD GLU A 31 -2.645 4.086 7.338 1.00 0.00 C ATOM 485 OE1 GLU A 31 -2.457 3.050 8.012 1.00 0.00 O ATOM 486 OE2 GLU A 31 -3.095 5.144 7.823 1.00 0.00 O ATOM 0 H GLU A 31 -1.013 4.595 3.354 1.00 0.00 H new ATOM 0 HA GLU A 31 0.033 5.445 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.945 2.768 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.516 3.073 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.407 5.059 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.025 3.422 5.340 1.00 0.00 H new ATOM 493 N VAL A 32 1.812 3.436 3.980 1.00 0.00 N ATOM 494 CA VAL A 32 3.142 2.882 3.785 1.00 0.00 C ATOM 495 C VAL A 32 4.176 3.998 3.731 1.00 0.00 C ATOM 496 O VAL A 32 5.266 3.879 4.289 1.00 0.00 O ATOM 497 CB VAL A 32 3.225 2.049 2.493 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.566 1.339 2.399 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.078 1.053 2.425 1.00 0.00 C ATOM 0 H VAL A 32 1.170 3.277 3.203 1.00 0.00 H new ATOM 0 HA VAL A 32 3.350 2.227 4.631 1.00 0.00 H new ATOM 0 HB VAL A 32 3.139 2.724 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.605 0.756 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.369 2.076 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.687 0.675 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.153 0.473 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.128 0.381 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.129 1.589 2.439 1.00 0.00 H new ATOM 509 N GLY A 33 3.820 5.084 3.055 1.00 0.00 N ATOM 510 CA GLY A 33 4.722 6.213 2.938 1.00 0.00 C ATOM 511 C GLY A 33 5.033 6.840 4.281 1.00 0.00 C ATOM 512 O GLY A 33 6.199 7.030 4.627 1.00 0.00 O ATOM 0 H GLY A 33 2.922 5.202 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.650 5.887 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.279 6.963 2.283 1.00 0.00 H new ATOM 516 N ASN A 34 3.996 7.149 5.055 1.00 0.00 N ATOM 517 CA ASN A 34 4.203 7.742 6.372 1.00 0.00 C ATOM 518 C ASN A 34 4.932 6.757 7.282 1.00 0.00 C ATOM 519 O ASN A 34 5.725 7.151 8.137 1.00 0.00 O ATOM 520 CB ASN A 34 2.876 8.197 6.996 1.00 0.00 C ATOM 521 CG ASN A 34 1.947 7.051 7.360 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.384 5.994 7.809 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.650 7.268 7.177 1.00 0.00 N ATOM 0 H ASN A 34 3.020 7.002 4.799 1.00 0.00 H new ATOM 0 HA ASN A 34 4.824 8.630 6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.087 8.780 7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.365 8.860 6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.027 6.542 7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.330 8.161 6.801 1.00 0.00 H new ATOM 530 N TYR A 35 4.659 5.473 7.080 1.00 0.00 N ATOM 531 CA TYR A 35 5.283 4.414 7.863 1.00 0.00 C ATOM 532 C TYR A 35 6.795 4.419 7.676 1.00 0.00 C ATOM 533 O TYR A 35 7.552 4.281 8.637 1.00 0.00 O ATOM 534 CB TYR A 35 4.706 3.063 7.433 1.00 0.00 C ATOM 535 CG TYR A 35 5.005 1.937 8.388 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.268 0.658 7.920 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.022 2.153 9.755 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.540 -0.375 8.793 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.294 1.128 10.634 1.00 0.00 C ATOM 540 CZ TYR A 35 5.554 -0.135 10.150 1.00 0.00 C ATOM 541 OH TYR A 35 5.825 -1.161 11.026 1.00 0.00 O ATOM 0 H TYR A 35 4.003 5.139 6.374 1.00 0.00 H new ATOM 0 HA TYR A 35 5.073 4.585 8.919 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.625 3.158 7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.102 2.807 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.260 0.468 6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.819 3.142 10.139 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.741 -1.367 8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.303 1.314 11.698 1.00 0.00 H new ATOM 0 HH TYR A 35 5.797 -0.822 11.945 1.00 0.00 H new ATOM 551 N LEU A 36 7.228 4.594 6.434 1.00 0.00 N ATOM 552 CA LEU A 36 8.651 4.635 6.118 1.00 0.00 C ATOM 553 C LEU A 36 9.168 6.076 6.098 1.00 0.00 C ATOM 554 O LEU A 36 10.359 6.313 5.901 1.00 0.00 O ATOM 555 CB LEU A 36 8.923 3.963 4.771 1.00 0.00 C ATOM 556 CG LEU A 36 8.504 2.492 4.685 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.401 2.300 3.652 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.704 1.614 4.355 1.00 0.00 C ATOM 0 H LEU A 36 6.614 4.710 5.628 1.00 0.00 H new ATOM 0 HA LEU A 36 9.182 4.089 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.402 4.520 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.989 4.035 4.555 1.00 0.00 H new ATOM 0 HG LEU A 36 8.113 2.193 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.121 1.247 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.532 2.896 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.759 2.620 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.388 0.572 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.125 1.919 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.459 1.722 5.134 1.00 0.00 H new ATOM 570 N ARG A 37 8.264 7.034 6.306 1.00 0.00 N ATOM 571 CA ARG A 37 8.625 8.448 6.316 1.00 0.00 C ATOM 572 C ARG A 37 9.030 8.931 4.927 1.00 0.00 C ATOM 573 O ARG A 37 9.844 9.845 4.792 1.00 0.00 O ATOM 574 CB ARG A 37 9.762 8.706 7.307 1.00 0.00 C ATOM 575 CG ARG A 37 9.724 10.091 7.932 1.00 0.00 C ATOM 576 CD ARG A 37 11.065 10.468 8.541 1.00 0.00 C ATOM 577 NE ARG A 37 11.673 11.611 7.863 1.00 0.00 N ATOM 578 CZ ARG A 37 12.957 11.940 7.973 1.00 0.00 C ATOM 579 NH1 ARG A 37 13.773 11.218 8.732 1.00 0.00 N ATOM 580 NH2 ARG A 37 13.429 12.996 7.323 1.00 0.00 N ATOM 0 H ARG A 37 7.274 6.853 6.470 1.00 0.00 H new ATOM 0 HA ARG A 37 7.744 9.008 6.628 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.719 7.958 8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.715 8.574 6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.449 10.825 7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.953 10.122 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.930 10.703 9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.740 9.614 8.488 1.00 0.00 H new ATOM 0 HE ARG A 37 11.078 12.190 7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.416 10.406 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.757 11.476 8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.807 13.555 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.414 13.249 7.407 1.00 0.00 H new ATOM 594 N MET A 38 8.447 8.327 3.898 1.00 0.00 N ATOM 595 CA MET A 38 8.740 8.716 2.526 1.00 0.00 C ATOM 596 C MET A 38 7.626 9.605 1.981 1.00 0.00 C ATOM 597 O MET A 38 6.451 9.239 2.026 1.00 0.00 O ATOM 598 CB MET A 38 8.902 7.478 1.642 1.00 0.00 C ATOM 599 CG MET A 38 10.306 6.896 1.660 1.00 0.00 C ATOM 600 SD MET A 38 10.331 5.132 1.292 1.00 0.00 S ATOM 601 CE MET A 38 11.620 5.062 0.051 1.00 0.00 C ATOM 0 H MET A 38 7.771 7.569 3.988 1.00 0.00 H new ATOM 0 HA MET A 38 9.675 9.276 2.518 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.197 6.714 1.969 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.638 7.737 0.617 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.923 7.424 0.933 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.753 7.065 2.640 1.00 0.00 H new ATOM 0 HE1 MET A 38 11.349 4.335 -0.715 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.738 6.044 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.559 4.764 0.518 1.00 0.00 H new ATOM 611 N PHE A 39 8.000 10.776 1.479 1.00 0.00 N ATOM 612 CA PHE A 39 7.027 11.718 0.938 1.00 0.00 C ATOM 613 C PHE A 39 7.398 12.138 -0.481 1.00 0.00 C ATOM 614 O PHE A 39 8.451 11.764 -0.996 1.00 0.00 O ATOM 615 CB PHE A 39 6.923 12.946 1.845 1.00 0.00 C ATOM 616 CG PHE A 39 6.986 12.613 3.311 1.00 0.00 C ATOM 617 CD1 PHE A 39 5.834 12.293 4.013 1.00 0.00 C ATOM 618 CD2 PHE A 39 8.197 12.612 3.982 1.00 0.00 C ATOM 619 CE1 PHE A 39 5.891 11.981 5.358 1.00 0.00 C ATOM 620 CE2 PHE A 39 8.260 12.300 5.328 1.00 0.00 C ATOM 621 CZ PHE A 39 7.105 11.984 6.017 1.00 0.00 C ATOM 0 H PHE A 39 8.968 11.096 1.435 1.00 0.00 H new ATOM 0 HA PHE A 39 6.058 11.221 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.730 13.637 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.986 13.464 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.882 12.288 3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.103 12.858 3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.986 11.735 5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.211 12.303 5.840 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.151 11.740 7.068 1.00 0.00 H new ATOM 631 N ARG A 40 6.522 12.919 -1.109 1.00 0.00 N ATOM 632 CA ARG A 40 6.756 13.392 -2.468 1.00 0.00 C ATOM 633 C ARG A 40 6.957 12.222 -3.426 1.00 0.00 C ATOM 634 O ARG A 40 7.781 12.286 -4.339 1.00 0.00 O ATOM 635 CB ARG A 40 7.976 14.314 -2.508 1.00 0.00 C ATOM 636 CG ARG A 40 7.717 15.690 -1.913 1.00 0.00 C ATOM 637 CD ARG A 40 8.022 16.798 -2.909 1.00 0.00 C ATOM 638 NE ARG A 40 7.367 16.575 -4.194 1.00 0.00 N ATOM 639 CZ ARG A 40 7.344 17.469 -5.179 1.00 0.00 C ATOM 640 NH1 ARG A 40 7.937 18.648 -5.030 1.00 0.00 N ATOM 641 NH2 ARG A 40 6.725 17.186 -6.318 1.00 0.00 N ATOM 0 H ARG A 40 5.645 13.237 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 40 5.876 13.951 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.796 13.842 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.301 14.429 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.676 15.760 -1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.330 15.823 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.698 17.754 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.100 16.864 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 40 6.899 15.681 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.414 18.872 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.916 19.329 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.267 16.283 -6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.708 17.872 -7.073 1.00 0.00 H new ATOM 655 N GLY A 41 6.200 11.151 -3.209 1.00 0.00 N ATOM 656 CA GLY A 41 6.310 9.980 -4.058 1.00 0.00 C ATOM 657 C GLY A 41 7.669 9.315 -3.957 1.00 0.00 C ATOM 658 O GLY A 41 8.085 8.598 -4.867 1.00 0.00 O ATOM 0 H GLY A 41 5.512 11.074 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.537 9.262 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.126 10.267 -5.093 1.00 0.00 H new ATOM 662 N SER A 42 8.363 9.550 -2.846 1.00 0.00 N ATOM 663 CA SER A 42 9.681 8.965 -2.632 1.00 0.00 C ATOM 664 C SER A 42 9.602 7.442 -2.612 1.00 0.00 C ATOM 665 O SER A 42 10.523 6.757 -3.055 1.00 0.00 O ATOM 666 CB SER A 42 10.282 9.474 -1.320 1.00 0.00 C ATOM 667 OG SER A 42 11.596 8.977 -1.134 1.00 0.00 O ATOM 0 H SER A 42 8.034 10.141 -2.082 1.00 0.00 H new ATOM 0 HA SER A 42 10.324 9.267 -3.458 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.299 10.564 -1.323 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.652 9.167 -0.485 1.00 0.00 H new ATOM 0 HG SER A 42 11.958 9.318 -0.290 1.00 0.00 H new ATOM 673 N LEU A 43 8.495 6.919 -2.096 1.00 0.00 N ATOM 674 CA LEU A 43 8.295 5.478 -2.020 1.00 0.00 C ATOM 675 C LEU A 43 8.208 4.870 -3.416 1.00 0.00 C ATOM 676 O LEU A 43 8.920 3.917 -3.734 1.00 0.00 O ATOM 677 CB LEU A 43 7.023 5.157 -1.232 1.00 0.00 C ATOM 678 CG LEU A 43 6.724 3.666 -1.063 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.270 3.160 0.264 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.228 3.407 -1.158 1.00 0.00 C ATOM 0 H LEU A 43 7.723 7.472 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 43 9.151 5.044 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.102 5.610 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.176 5.627 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 43 7.218 3.123 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.048 2.098 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.349 3.310 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.804 3.709 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.035 2.341 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.712 3.962 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.864 3.732 -2.132 1.00 0.00 H new ATOM 692 N TYR A 44 7.334 5.429 -4.246 1.00 0.00 N ATOM 693 CA TYR A 44 7.157 4.942 -5.609 1.00 0.00 C ATOM 694 C TYR A 44 8.413 5.181 -6.441 1.00 0.00 C ATOM 695 O TYR A 44 8.801 4.342 -7.254 1.00 0.00 O ATOM 696 CB TYR A 44 5.959 5.629 -6.265 1.00 0.00 C ATOM 697 CG TYR A 44 4.662 5.439 -5.510 1.00 0.00 C ATOM 698 CD1 TYR A 44 3.787 6.502 -5.316 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.313 4.198 -4.994 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.601 6.332 -4.626 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.129 4.020 -4.303 1.00 0.00 C ATOM 702 CZ TYR A 44 2.277 5.089 -4.122 1.00 0.00 C ATOM 703 OH TYR A 44 1.097 4.916 -3.435 1.00 0.00 O ATOM 0 H TYR A 44 6.738 6.219 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 44 6.973 3.869 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.166 6.696 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.840 5.244 -7.278 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.038 7.476 -5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.977 3.358 -5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.932 7.167 -4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.873 3.049 -3.907 1.00 0.00 H new ATOM 0 HH TYR A 44 0.901 3.959 -3.357 1.00 0.00 H new ATOM 713 N LYS A 45 9.045 6.332 -6.230 1.00 0.00 N ATOM 714 CA LYS A 45 10.258 6.683 -6.959 1.00 0.00 C ATOM 715 C LYS A 45 11.416 5.775 -6.553 1.00 0.00 C ATOM 716 O LYS A 45 12.258 5.420 -7.378 1.00 0.00 O ATOM 717 CB LYS A 45 10.625 8.147 -6.706 1.00 0.00 C ATOM 718 CG LYS A 45 10.259 9.073 -7.855 1.00 0.00 C ATOM 719 CD LYS A 45 10.946 10.423 -7.721 1.00 0.00 C ATOM 720 CE LYS A 45 10.281 11.476 -8.592 1.00 0.00 C ATOM 721 NZ LYS A 45 10.993 12.781 -8.528 1.00 0.00 N ATOM 0 H LYS A 45 8.737 7.037 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 45 10.068 6.545 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.122 8.488 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.697 8.218 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.543 8.611 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.178 9.214 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.922 10.743 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.995 10.328 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.253 11.128 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.247 11.611 -8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.508 13.471 -9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.998 13.126 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.972 12.659 -8.856 1.00 0.00 H new ATOM 735 N ARG A 46 11.450 5.406 -5.277 1.00 0.00 N ATOM 736 CA ARG A 46 12.505 4.542 -4.761 1.00 0.00 C ATOM 737 C ARG A 46 12.142 3.066 -4.919 1.00 0.00 C ATOM 738 O ARG A 46 12.996 2.192 -4.772 1.00 0.00 O ATOM 739 CB ARG A 46 12.773 4.856 -3.288 1.00 0.00 C ATOM 740 CG ARG A 46 13.993 4.144 -2.726 1.00 0.00 C ATOM 741 CD ARG A 46 14.817 5.062 -1.837 1.00 0.00 C ATOM 742 NE ARG A 46 15.658 4.313 -0.906 1.00 0.00 N ATOM 743 CZ ARG A 46 16.791 3.709 -1.253 1.00 0.00 C ATOM 744 NH1 ARG A 46 17.224 3.762 -2.508 1.00 0.00 N ATOM 745 NH2 ARG A 46 17.495 3.048 -0.344 1.00 0.00 N ATOM 0 H ARG A 46 10.760 5.691 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 46 13.407 4.735 -5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.905 5.932 -3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.898 4.578 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.675 3.272 -2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.612 3.779 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.444 5.701 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.151 5.718 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 46 15.359 4.250 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.687 4.268 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.094 3.297 -2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.167 3.003 0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.364 2.585 -0.610 1.00 0.00 H new ATOM 759 N TYR A 47 10.874 2.791 -5.216 1.00 0.00 N ATOM 760 CA TYR A 47 10.410 1.420 -5.390 1.00 0.00 C ATOM 761 C TYR A 47 9.547 1.288 -6.647 1.00 0.00 C ATOM 762 O TYR A 47 8.347 1.023 -6.563 1.00 0.00 O ATOM 763 CB TYR A 47 9.616 0.974 -4.162 1.00 0.00 C ATOM 764 CG TYR A 47 10.466 0.747 -2.934 1.00 0.00 C ATOM 765 CD1 TYR A 47 11.006 -0.503 -2.672 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.723 1.775 -2.037 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.780 -0.728 -1.552 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.498 1.562 -0.913 1.00 0.00 C ATOM 769 CZ TYR A 47 12.024 0.308 -0.673 1.00 0.00 C ATOM 770 OH TYR A 47 12.794 0.093 0.448 1.00 0.00 O ATOM 0 H TYR A 47 10.151 3.500 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 47 11.283 0.778 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.862 1.728 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.085 0.052 -4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.817 -1.316 -3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.311 2.756 -2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.192 -1.708 -1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.691 2.372 -0.226 1.00 0.00 H new ATOM 0 HH TYR A 47 12.730 -0.848 0.713 1.00 0.00 H new ATOM 780 N PRO A 48 10.149 1.475 -7.835 1.00 0.00 N ATOM 781 CA PRO A 48 9.431 1.383 -9.113 1.00 0.00 C ATOM 782 C PRO A 48 8.867 -0.011 -9.374 1.00 0.00 C ATOM 783 O PRO A 48 7.840 -0.157 -10.036 1.00 0.00 O ATOM 784 CB PRO A 48 10.495 1.730 -10.162 1.00 0.00 C ATOM 785 CG PRO A 48 11.593 2.397 -9.406 1.00 0.00 C ATOM 786 CD PRO A 48 11.571 1.799 -8.031 1.00 0.00 C ATOM 0 HA PRO A 48 8.567 2.047 -9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.854 0.834 -10.668 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.090 2.389 -10.930 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.556 2.230 -9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.439 3.475 -9.365 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.200 0.911 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.933 2.501 -7.280 1.00 0.00 H new ATOM 794 N SER A 49 9.541 -1.036 -8.856 1.00 0.00 N ATOM 795 CA SER A 49 9.093 -2.413 -9.047 1.00 0.00 C ATOM 796 C SER A 49 7.925 -2.749 -8.119 1.00 0.00 C ATOM 797 O SER A 49 7.368 -3.846 -8.184 1.00 0.00 O ATOM 798 CB SER A 49 10.251 -3.386 -8.808 1.00 0.00 C ATOM 799 OG SER A 49 9.788 -4.631 -8.312 1.00 0.00 O ATOM 0 H SER A 49 10.394 -0.940 -8.304 1.00 0.00 H new ATOM 0 HA SER A 49 8.749 -2.514 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.794 -3.543 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.954 -2.949 -8.099 1.00 0.00 H new ATOM 0 HG SER A 49 8.840 -4.741 -8.537 1.00 0.00 H new ATOM 805 N LEU A 50 7.561 -1.807 -7.255 1.00 0.00 N ATOM 806 CA LEU A 50 6.466 -2.012 -6.318 1.00 0.00 C ATOM 807 C LEU A 50 5.114 -1.862 -7.007 1.00 0.00 C ATOM 808 O LEU A 50 4.925 -0.980 -7.844 1.00 0.00 O ATOM 809 CB LEU A 50 6.582 -1.018 -5.166 1.00 0.00 C ATOM 810 CG LEU A 50 5.976 -1.476 -3.840 1.00 0.00 C ATOM 811 CD1 LEU A 50 6.872 -2.507 -3.174 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.764 -0.282 -2.924 1.00 0.00 C ATOM 0 H LEU A 50 8.010 -0.894 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 50 6.533 -3.028 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.637 -0.795 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.101 -0.086 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 50 5.010 -1.940 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.425 -2.822 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.983 -3.371 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.851 -2.069 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.332 -0.619 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.721 0.203 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.087 0.427 -3.401 1.00 0.00 H new ATOM 824 N TRP A 51 4.176 -2.731 -6.644 1.00 0.00 N ATOM 825 CA TRP A 51 2.838 -2.702 -7.220 1.00 0.00 C ATOM 826 C TRP A 51 2.013 -1.574 -6.605 1.00 0.00 C ATOM 827 O TRP A 51 1.739 -1.578 -5.406 1.00 0.00 O ATOM 828 CB TRP A 51 2.138 -4.045 -6.996 1.00 0.00 C ATOM 829 CG TRP A 51 0.797 -4.137 -7.658 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.512 -4.700 -8.868 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.443 -3.648 -7.142 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.831 -4.590 -9.134 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.439 -3.947 -8.088 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.804 -2.987 -5.968 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.774 -3.603 -7.893 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.125 -2.645 -5.773 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.099 -2.953 -6.732 1.00 0.00 C ATOM 0 H TRP A 51 4.319 -3.466 -5.951 1.00 0.00 H new ATOM 0 HA TRP A 51 2.928 -2.522 -8.291 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.776 -4.845 -7.372 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.018 -4.209 -5.925 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.236 -5.164 -9.521 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.299 -4.931 -9.973 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.060 -2.747 -5.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.526 -3.840 -8.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.414 -2.132 -4.867 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.126 -2.672 -6.552 1.00 0.00 H new ATOM 848 N ARG A 52 1.626 -0.608 -7.431 1.00 0.00 N ATOM 849 CA ARG A 52 0.835 0.525 -6.962 1.00 0.00 C ATOM 850 C ARG A 52 -0.253 0.889 -7.966 1.00 0.00 C ATOM 851 O ARG A 52 -0.019 0.888 -9.175 1.00 0.00 O ATOM 852 CB ARG A 52 1.740 1.734 -6.711 1.00 0.00 C ATOM 853 CG ARG A 52 2.620 2.092 -7.898 1.00 0.00 C ATOM 854 CD ARG A 52 2.021 3.225 -8.716 1.00 0.00 C ATOM 855 NE ARG A 52 2.687 3.379 -10.008 1.00 0.00 N ATOM 856 CZ ARG A 52 2.175 4.061 -11.029 1.00 0.00 C ATOM 857 NH1 ARG A 52 0.994 4.655 -10.916 1.00 0.00 N ATOM 858 NH2 ARG A 52 2.846 4.151 -12.169 1.00 0.00 N ATOM 0 H ARG A 52 1.846 -0.586 -8.427 1.00 0.00 H new ATOM 0 HA ARG A 52 0.354 0.236 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.121 2.594 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.374 1.530 -5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.610 2.381 -7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.752 1.215 -8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.960 3.035 -8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.097 4.157 -8.155 1.00 0.00 H new ATOM 0 HE ARG A 52 3.598 2.938 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.472 4.590 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.608 5.176 -11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.755 3.697 -12.263 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.453 4.674 -12.952 1.00 0.00 H new ATOM 872 N ARG A 53 -1.444 1.205 -7.462 1.00 0.00 N ATOM 873 CA ARG A 53 -2.561 1.574 -8.327 1.00 0.00 C ATOM 874 C ARG A 53 -3.529 2.515 -7.614 1.00 0.00 C ATOM 875 O ARG A 53 -3.481 2.666 -6.396 1.00 0.00 O ATOM 876 CB ARG A 53 -3.299 0.320 -8.818 1.00 0.00 C ATOM 877 CG ARG A 53 -4.344 -0.216 -7.846 1.00 0.00 C ATOM 878 CD ARG A 53 -5.267 -1.234 -8.505 1.00 0.00 C ATOM 879 NE ARG A 53 -4.604 -1.988 -9.570 1.00 0.00 N ATOM 880 CZ ARG A 53 -5.254 -2.649 -10.526 1.00 0.00 C ATOM 881 NH1 ARG A 53 -6.581 -2.655 -10.553 1.00 0.00 N ATOM 882 NH2 ARG A 53 -4.575 -3.304 -11.458 1.00 0.00 N ATOM 0 H ARG A 53 -1.659 1.213 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.153 2.102 -9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.785 0.547 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.567 -0.464 -9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.844 -0.678 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.936 0.612 -7.457 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.636 -1.928 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.135 -0.719 -8.916 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.584 -2.008 -9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.108 -2.152 -9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.074 -3.163 -11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.555 -3.301 -11.442 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.073 -3.810 -12.190 1.00 0.00 H new ATOM 896 N LEU A 54 -4.417 3.136 -8.385 1.00 0.00 N ATOM 897 CA LEU A 54 -5.406 4.049 -7.827 1.00 0.00 C ATOM 898 C LEU A 54 -6.678 3.294 -7.456 1.00 0.00 C ATOM 899 O LEU A 54 -6.981 2.252 -8.037 1.00 0.00 O ATOM 900 CB LEU A 54 -5.728 5.164 -8.823 1.00 0.00 C ATOM 901 CG LEU A 54 -4.822 6.389 -8.726 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.138 6.662 -10.057 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.613 7.607 -8.271 1.00 0.00 C ATOM 0 H LEU A 54 -4.471 3.023 -9.397 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.989 4.497 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.662 4.760 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.760 5.480 -8.672 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.051 6.183 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.498 7.539 -9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.534 5.800 -10.339 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.892 6.843 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.949 8.469 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.408 7.813 -8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.049 7.413 -7.291 1.00 0.00 H new ATOM 915 N ALA A 55 -7.413 3.816 -6.481 1.00 0.00 N ATOM 916 CA ALA A 55 -8.644 3.177 -6.034 1.00 0.00 C ATOM 917 C ALA A 55 -9.880 3.930 -6.515 1.00 0.00 C ATOM 918 O ALA A 55 -9.982 5.147 -6.359 1.00 0.00 O ATOM 919 CB ALA A 55 -8.656 3.062 -4.518 1.00 0.00 C ATOM 0 H ALA A 55 -7.179 4.677 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.675 2.179 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.581 2.583 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.805 2.464 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.590 4.057 -4.077 1.00 0.00 H new ATOM 925 N THR A 56 -10.823 3.190 -7.088 1.00 0.00 N ATOM 926 CA THR A 56 -12.068 3.768 -7.583 1.00 0.00 C ATOM 927 C THR A 56 -12.962 4.170 -6.418 1.00 0.00 C ATOM 928 O THR A 56 -12.673 3.847 -5.270 1.00 0.00 O ATOM 929 CB THR A 56 -12.804 2.761 -8.467 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.440 1.773 -7.671 1.00 0.00 O ATOM 931 CG2 THR A 56 -11.898 2.048 -9.449 1.00 0.00 C ATOM 0 H THR A 56 -10.748 2.182 -7.222 1.00 0.00 H new ATOM 0 HA THR A 56 -11.827 4.653 -8.172 1.00 0.00 H new ATOM 0 HB THR A 56 -13.530 3.346 -9.031 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.908 1.137 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.485 1.349 -10.044 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.428 2.779 -10.107 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.128 1.503 -8.904 1.00 0.00 H new ATOM 939 N VAL A 57 -14.054 4.868 -6.711 1.00 0.00 N ATOM 940 CA VAL A 57 -14.981 5.289 -5.667 1.00 0.00 C ATOM 941 C VAL A 57 -15.534 4.073 -4.929 1.00 0.00 C ATOM 942 O VAL A 57 -15.776 4.117 -3.721 1.00 0.00 O ATOM 943 CB VAL A 57 -16.151 6.108 -6.242 1.00 0.00 C ATOM 944 CG1 VAL A 57 -16.981 6.715 -5.122 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.635 7.190 -7.180 1.00 0.00 C ATOM 0 H VAL A 57 -14.318 5.152 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.425 5.921 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.792 5.438 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.803 7.290 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.382 5.919 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.354 7.371 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.476 7.759 -7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -14.970 7.859 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.089 6.728 -8.003 1.00 0.00 H new ATOM 955 N GLU A 58 -15.716 2.981 -5.662 1.00 0.00 N ATOM 956 CA GLU A 58 -16.216 1.747 -5.074 1.00 0.00 C ATOM 957 C GLU A 58 -15.154 1.130 -4.173 1.00 0.00 C ATOM 958 O GLU A 58 -15.431 0.733 -3.040 1.00 0.00 O ATOM 959 CB GLU A 58 -16.614 0.755 -6.170 1.00 0.00 C ATOM 960 CG GLU A 58 -17.969 1.048 -6.793 1.00 0.00 C ATOM 961 CD GLU A 58 -18.219 0.236 -8.049 1.00 0.00 C ATOM 962 OE1 GLU A 58 -18.948 0.725 -8.937 1.00 0.00 O ATOM 963 OE2 GLU A 58 -17.683 -0.888 -8.145 1.00 0.00 O ATOM 0 H GLU A 58 -15.525 2.926 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.098 1.979 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -15.854 0.766 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -16.626 -0.251 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.753 0.837 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.033 2.110 -7.032 1.00 0.00 H new ATOM 970 N GLU A 59 -13.930 1.055 -4.691 1.00 0.00 N ATOM 971 CA GLU A 59 -12.814 0.490 -3.943 1.00 0.00 C ATOM 972 C GLU A 59 -12.507 1.318 -2.699 1.00 0.00 C ATOM 973 O GLU A 59 -12.297 0.771 -1.619 1.00 0.00 O ATOM 974 CB GLU A 59 -11.572 0.404 -4.831 1.00 0.00 C ATOM 975 CG GLU A 59 -11.633 -0.715 -5.858 1.00 0.00 C ATOM 976 CD GLU A 59 -10.387 -0.786 -6.718 1.00 0.00 C ATOM 977 OE1 GLU A 59 -10.010 0.251 -7.304 1.00 0.00 O ATOM 978 OE2 GLU A 59 -9.788 -1.878 -6.805 1.00 0.00 O ATOM 0 H GLU A 59 -13.688 1.379 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.098 -0.513 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.440 1.354 -5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.695 0.260 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.770 -1.667 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.503 -0.569 -6.498 1.00 0.00 H new ATOM 985 N ARG A 60 -12.475 2.638 -2.857 1.00 0.00 N ATOM 986 CA ARG A 60 -12.187 3.534 -1.743 1.00 0.00 C ATOM 987 C ARG A 60 -13.247 3.404 -0.658 1.00 0.00 C ATOM 988 O ARG A 60 -12.921 3.340 0.527 1.00 0.00 O ATOM 989 CB ARG A 60 -12.085 4.985 -2.226 1.00 0.00 C ATOM 990 CG ARG A 60 -13.398 5.562 -2.725 1.00 0.00 C ATOM 991 CD ARG A 60 -14.207 6.187 -1.600 1.00 0.00 C ATOM 992 NE ARG A 60 -14.688 7.522 -1.950 1.00 0.00 N ATOM 993 CZ ARG A 60 -15.753 8.098 -1.395 1.00 0.00 C ATOM 994 NH1 ARG A 60 -16.444 7.469 -0.453 1.00 0.00 N ATOM 995 NH2 ARG A 60 -16.126 9.311 -1.782 1.00 0.00 N ATOM 0 H ARG A 60 -12.645 3.110 -3.745 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.226 3.247 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.715 5.604 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.348 5.040 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.197 6.314 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.984 4.774 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.056 5.546 -1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.593 6.247 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.177 8.044 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.161 6.537 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.258 7.917 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.597 9.801 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.941 9.753 -1.358 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.515 3.348 -1.057 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.593 3.204 -0.089 1.00 0.00 C ATOM 1011 C LYS A 61 -15.404 1.903 0.686 1.00 0.00 C ATOM 1012 O LYS A 61 -15.575 1.859 1.904 1.00 0.00 O ATOM 1013 CB LYS A 61 -16.964 3.258 -0.787 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.575 1.899 -1.104 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.541 1.986 -2.273 1.00 0.00 C ATOM 1016 CE LYS A 61 -19.943 2.349 -1.814 1.00 0.00 C ATOM 1017 NZ LYS A 61 -20.086 3.810 -1.563 1.00 0.00 N ATOM 0 H LYS A 61 -14.816 3.399 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.563 4.034 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.656 3.813 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.861 3.820 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.783 1.187 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.097 1.519 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.186 2.732 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.565 1.031 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.664 2.039 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.180 1.800 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.083 4.085 -1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.768 4.029 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.507 4.338 -2.247 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.018 0.854 -0.035 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.764 -0.444 0.576 1.00 0.00 C ATOM 1033 C LYS A 62 -13.521 -0.372 1.458 1.00 0.00 C ATOM 1034 O LYS A 62 -13.440 -1.025 2.496 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.581 -1.515 -0.502 1.00 0.00 C ATOM 1036 CG LYS A 62 -15.854 -1.831 -1.270 1.00 0.00 C ATOM 1037 CD LYS A 62 -15.547 -2.382 -2.654 1.00 0.00 C ATOM 1038 CE LYS A 62 -16.672 -3.269 -3.163 1.00 0.00 C ATOM 1039 NZ LYS A 62 -16.498 -3.617 -4.600 1.00 0.00 N ATOM 0 H LYS A 62 -14.875 0.879 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.622 -0.713 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.816 -1.184 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.212 -2.428 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.447 -2.556 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.458 -0.929 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.390 -1.557 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.619 -2.952 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.710 -4.183 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.626 -2.760 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.285 -4.222 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.487 -2.747 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.600 -4.125 -4.728 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.416 6.891 -3.385 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.696 5.995 -2.487 1.00 0.00 C ATOM 1431 C VAL A 88 -5.655 5.182 -3.248 1.00 0.00 C ATOM 1432 O VAL A 88 -5.943 4.618 -4.304 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.659 5.030 -1.765 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -6.914 4.193 -0.735 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.797 5.801 -1.111 1.00 0.00 C ATOM 0 HA VAL A 88 -6.197 6.619 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.084 4.354 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.613 3.520 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.139 3.609 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.455 4.850 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.466 5.104 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.390 6.504 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.351 6.348 -1.874 1.00 0.00 H new ATOM 1445 N THR A 89 -4.443 5.123 -2.705 1.00 0.00 N ATOM 1446 CA THR A 89 -3.360 4.376 -3.333 1.00 0.00 C ATOM 1447 C THR A 89 -3.336 2.942 -2.820 1.00 0.00 C ATOM 1448 O THR A 89 -3.343 2.706 -1.614 1.00 0.00 O ATOM 1449 CB THR A 89 -2.016 5.053 -3.060 1.00 0.00 C ATOM 1450 OG1 THR A 89 -2.040 5.726 -1.814 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.627 6.062 -4.119 1.00 0.00 C ATOM 0 H THR A 89 -4.187 5.584 -1.832 1.00 0.00 H new ATOM 0 HA THR A 89 -3.532 4.361 -4.409 1.00 0.00 H new ATOM 0 HB THR A 89 -1.281 4.248 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.172 6.152 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.664 6.504 -3.864 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.553 5.564 -5.086 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.384 6.845 -4.171 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.319 1.986 -3.741 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.306 0.575 -3.377 1.00 0.00 C ATOM 1461 C LEU A 90 -1.938 -0.051 -3.619 1.00 0.00 C ATOM 1462 O LEU A 90 -1.245 0.295 -4.577 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.366 -0.183 -4.176 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.785 -0.106 -3.607 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.738 0.510 -4.621 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.267 -1.487 -3.192 1.00 0.00 C ATOM 0 H LEU A 90 -3.314 2.163 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.529 0.505 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.378 0.205 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.072 -1.231 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.766 0.533 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.741 0.555 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.403 1.517 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.753 -0.101 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.277 -1.414 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.268 -2.148 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.601 -1.891 -2.429 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.563 -0.980 -2.743 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.281 -1.672 -2.849 1.00 0.00 C ATOM 1480 C LEU A 91 -0.443 -3.156 -2.521 1.00 0.00 C ATOM 1481 O LEU A 91 -1.381 -3.543 -1.823 1.00 0.00 O ATOM 1482 CB LEU A 91 0.731 -1.034 -1.902 1.00 0.00 C ATOM 1483 CG LEU A 91 1.706 -0.054 -2.556 1.00 0.00 C ATOM 1484 CD1 LEU A 91 0.983 1.219 -2.973 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.853 0.266 -1.609 1.00 0.00 C ATOM 0 H LEU A 91 -2.132 -1.272 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 91 0.081 -1.583 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.188 -0.511 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.305 -1.826 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 91 2.119 -0.521 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.692 1.905 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.196 0.974 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.542 1.691 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.538 0.965 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.458 0.714 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.386 -0.652 -1.360 1.00 0.00 H new ATOM 1497 N LYS A 92 0.469 -3.988 -3.024 1.00 0.00 N ATOM 1498 CA LYS A 92 0.400 -5.426 -2.768 1.00 0.00 C ATOM 1499 C LYS A 92 0.920 -5.756 -1.371 1.00 0.00 C ATOM 1500 O LYS A 92 2.075 -5.475 -1.043 1.00 0.00 O ATOM 1501 CB LYS A 92 1.215 -6.187 -3.816 1.00 0.00 C ATOM 1502 CG LYS A 92 0.617 -6.134 -5.211 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.495 -7.156 -5.388 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.238 -8.059 -6.583 1.00 0.00 C ATOM 1505 NZ LYS A 92 -0.822 -9.416 -6.390 1.00 0.00 N ATOM 0 H LYS A 92 1.255 -3.696 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.644 -5.732 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.224 -5.776 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.304 -7.229 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.226 -5.135 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.399 -6.316 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.581 -7.761 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.447 -6.641 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.662 -7.605 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.836 -8.146 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.625 -10.001 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.399 -9.860 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.850 -9.336 -6.258 1.00 0.00 H new ATOM 1519 N ALA A 93 0.062 -6.370 -0.560 1.00 0.00 N ATOM 1520 CA ALA A 93 0.421 -6.747 0.805 1.00 0.00 C ATOM 1521 C ALA A 93 1.736 -7.512 0.849 1.00 0.00 C ATOM 1522 O ALA A 93 2.576 -7.273 1.716 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.692 -7.575 1.431 1.00 0.00 C ATOM 0 H ALA A 93 -0.891 -6.618 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 93 0.552 -5.830 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.413 -7.850 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.612 -6.991 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.849 -8.478 0.841 1.00 0.00 H new ATOM 1529 N SER A 94 1.908 -8.434 -0.087 1.00 0.00 N ATOM 1530 CA SER A 94 3.121 -9.234 -0.150 1.00 0.00 C ATOM 1531 C SER A 94 4.345 -8.354 -0.376 1.00 0.00 C ATOM 1532 O SER A 94 5.407 -8.595 0.203 1.00 0.00 O ATOM 1533 CB SER A 94 3.011 -10.275 -1.266 1.00 0.00 C ATOM 1534 OG SER A 94 2.654 -11.544 -0.746 1.00 0.00 O ATOM 0 H SER A 94 1.223 -8.646 -0.813 1.00 0.00 H new ATOM 0 HA SER A 94 3.239 -9.746 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.266 -9.954 -1.995 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.962 -10.349 -1.794 1.00 0.00 H new ATOM 0 HG SER A 94 2.588 -12.191 -1.479 1.00 0.00 H new ATOM 1540 N GLU A 95 4.199 -7.333 -1.214 1.00 0.00 N ATOM 1541 CA GLU A 95 5.306 -6.430 -1.503 1.00 0.00 C ATOM 1542 C GLU A 95 5.650 -5.591 -0.279 1.00 0.00 C ATOM 1543 O GLU A 95 6.814 -5.505 0.124 1.00 0.00 O ATOM 1544 CB GLU A 95 4.967 -5.540 -2.698 1.00 0.00 C ATOM 1545 CG GLU A 95 4.903 -6.306 -4.011 1.00 0.00 C ATOM 1546 CD GLU A 95 5.418 -5.502 -5.186 1.00 0.00 C ATOM 1547 OE1 GLU A 95 4.664 -5.334 -6.167 1.00 0.00 O ATOM 1548 OE2 GLU A 95 6.577 -5.041 -5.127 1.00 0.00 O ATOM 0 H GLU A 95 3.331 -7.111 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 95 6.182 -7.026 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.008 -5.053 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.715 -4.751 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.486 -7.222 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.872 -6.602 -4.204 1.00 0.00 H new ATOM 1555 N VAL A 96 4.631 -4.988 0.323 1.00 0.00 N ATOM 1556 CA VAL A 96 4.831 -4.174 1.513 1.00 0.00 C ATOM 1557 C VAL A 96 5.421 -5.020 2.630 1.00 0.00 C ATOM 1558 O VAL A 96 6.395 -4.634 3.273 1.00 0.00 O ATOM 1559 CB VAL A 96 3.511 -3.546 2.002 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.777 -2.542 3.113 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.768 -2.888 0.848 1.00 0.00 C ATOM 0 H VAL A 96 3.663 -5.048 0.007 1.00 0.00 H new ATOM 0 HA VAL A 96 5.518 -3.371 1.247 1.00 0.00 H new ATOM 0 HB VAL A 96 2.881 -4.341 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.834 -2.109 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.260 -3.045 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.428 -1.751 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.839 -2.451 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.390 -2.106 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.542 -3.635 0.088 1.00 0.00 H new ATOM 1571 N GLU A 97 4.826 -6.187 2.842 1.00 0.00 N ATOM 1572 CA GLU A 97 5.284 -7.111 3.871 1.00 0.00 C ATOM 1573 C GLU A 97 6.760 -7.444 3.681 1.00 0.00 C ATOM 1574 O GLU A 97 7.516 -7.520 4.649 1.00 0.00 O ATOM 1575 CB GLU A 97 4.451 -8.394 3.843 1.00 0.00 C ATOM 1576 CG GLU A 97 3.164 -8.299 4.646 1.00 0.00 C ATOM 1577 CD GLU A 97 2.782 -9.617 5.291 1.00 0.00 C ATOM 1578 OE1 GLU A 97 3.221 -9.868 6.432 1.00 0.00 O ATOM 1579 OE2 GLU A 97 2.042 -10.396 4.655 1.00 0.00 O ATOM 0 H GLU A 97 4.020 -6.517 2.311 1.00 0.00 H new ATOM 0 HA GLU A 97 5.160 -6.628 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.207 -8.637 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.052 -9.217 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.278 -7.539 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.356 -7.970 3.993 1.00 0.00 H new ATOM 1586 N GLU A 98 7.168 -7.639 2.430 1.00 0.00 N ATOM 1587 CA GLU A 98 8.558 -7.960 2.128 1.00 0.00 C ATOM 1588 C GLU A 98 9.477 -6.825 2.574 1.00 0.00 C ATOM 1589 O GLU A 98 10.480 -7.046 3.265 1.00 0.00 O ATOM 1590 CB GLU A 98 8.726 -8.187 0.625 1.00 0.00 C ATOM 1591 CG GLU A 98 8.343 -9.576 0.156 1.00 0.00 C ATOM 1592 CD GLU A 98 9.117 -10.669 0.868 1.00 0.00 C ATOM 1593 OE1 GLU A 98 8.748 -11.010 2.011 1.00 0.00 O ATOM 1594 OE2 GLU A 98 10.092 -11.184 0.280 1.00 0.00 O ATOM 0 H GLU A 98 6.559 -7.581 1.614 1.00 0.00 H new ATOM 0 HA GLU A 98 8.827 -8.868 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.120 -7.456 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.765 -7.999 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.276 -9.728 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.517 -9.653 -0.917 1.00 0.00 H new ATOM 1601 N ILE A 99 9.117 -5.603 2.198 1.00 0.00 N ATOM 1602 CA ILE A 99 9.906 -4.442 2.578 1.00 0.00 C ATOM 1603 C ILE A 99 9.930 -4.309 4.092 1.00 0.00 C ATOM 1604 O ILE A 99 10.959 -3.986 4.685 1.00 0.00 O ATOM 1605 CB ILE A 99 9.373 -3.138 1.950 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.063 -3.342 0.463 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.389 -2.020 2.127 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.768 -2.696 0.021 1.00 0.00 C ATOM 0 H ILE A 99 8.292 -5.394 1.636 1.00 0.00 H new ATOM 0 HA ILE A 99 10.916 -4.598 2.199 1.00 0.00 H new ATOM 0 HB ILE A 99 8.450 -2.861 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.883 -2.936 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.017 -4.411 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.003 -1.104 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.570 -1.857 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.323 -2.297 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.613 -2.881 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.938 -3.119 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.818 -1.622 0.199 1.00 0.00 H new ATOM 1620 N LEU A 100 8.788 -4.585 4.712 1.00 0.00 N ATOM 1621 CA LEU A 100 8.674 -4.524 6.163 1.00 0.00 C ATOM 1622 C LEU A 100 9.534 -5.609 6.801 1.00 0.00 C ATOM 1623 O LEU A 100 10.109 -5.414 7.871 1.00 0.00 O ATOM 1624 CB LEU A 100 7.215 -4.686 6.594 1.00 0.00 C ATOM 1625 CG LEU A 100 6.279 -3.550 6.175 1.00 0.00 C ATOM 1626 CD1 LEU A 100 4.951 -3.665 6.903 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.922 -2.196 6.442 1.00 0.00 C ATOM 0 H LEU A 100 7.929 -4.853 4.232 1.00 0.00 H new ATOM 0 HA LEU A 100 9.027 -3.549 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.833 -5.620 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.182 -4.780 7.679 1.00 0.00 H new ATOM 0 HG LEU A 100 6.095 -3.632 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.296 -2.850 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.484 -4.619 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.119 -3.608 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.240 -1.403 6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.138 -2.099 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.849 -2.115 5.875 1.00 0.00 H new ATOM 1639 N ASP A 101 9.631 -6.748 6.119 1.00 0.00 N ATOM 1640 CA ASP A 101 10.438 -7.864 6.599 1.00 0.00 C ATOM 1641 C ASP A 101 11.915 -7.594 6.326 1.00 0.00 C ATOM 1642 O ASP A 101 12.795 -8.259 6.873 1.00 0.00 O ATOM 1643 CB ASP A 101 10.008 -9.167 5.922 1.00 0.00 C ATOM 1644 CG ASP A 101 8.790 -9.786 6.580 1.00 0.00 C ATOM 1645 OD1 ASP A 101 8.860 -10.093 7.789 1.00 0.00 O ATOM 1646 OD2 ASP A 101 7.768 -9.963 5.886 1.00 0.00 O ATOM 0 H ASP A 101 9.160 -6.921 5.231 1.00 0.00 H new ATOM 0 HA ASP A 101 10.287 -7.966 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.791 -8.973 4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.834 -9.878 5.951 1.00 0.00 H new ATOM 1651 N GLY A 102 12.171 -6.608 5.471 1.00 0.00 N ATOM 1652 CA GLY A 102 13.530 -6.244 5.120 1.00 0.00 C ATOM 1653 C GLY A 102 13.949 -6.792 3.773 1.00 0.00 C ATOM 1654 O GLY A 102 15.086 -6.599 3.343 1.00 0.00 O ATOM 0 H GLY A 102 11.452 -6.050 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.620 -5.158 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.211 -6.614 5.887 1.00 0.00 H new ATOM 1658 N ASN A 103 13.015 -7.439 3.088 1.00 0.00 N ATOM 1659 CA ASN A 103 13.277 -7.973 1.762 1.00 0.00 C ATOM 1660 C ASN A 103 12.617 -7.077 0.726 1.00 0.00 C ATOM 1661 O ASN A 103 11.394 -7.010 0.651 1.00 0.00 O ATOM 1662 CB ASN A 103 12.748 -9.403 1.642 1.00 0.00 C ATOM 1663 CG ASN A 103 13.359 -10.150 0.471 1.00 0.00 C ATOM 1664 OD1 ASN A 103 14.575 -10.322 0.397 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.514 -10.598 -0.451 1.00 0.00 N ATOM 0 H ASN A 103 12.069 -7.606 3.431 1.00 0.00 H new ATOM 0 HA ASN A 103 14.353 -7.997 1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.959 -9.944 2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.664 -9.378 1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.866 -11.108 -1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.513 -10.432 -0.349 1.00 0.00 H new ATOM 1672 N ASP A 104 13.414 -6.371 -0.061 1.00 0.00 N ATOM 1673 CA ASP A 104 12.852 -5.475 -1.067 1.00 0.00 C ATOM 1674 C ASP A 104 13.890 -5.015 -2.085 1.00 0.00 C ATOM 1675 O ASP A 104 13.664 -4.047 -2.808 1.00 0.00 O ATOM 1676 CB ASP A 104 12.232 -4.259 -0.379 1.00 0.00 C ATOM 1677 CG ASP A 104 13.209 -3.561 0.547 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.833 -4.251 1.380 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.349 -2.325 0.440 1.00 0.00 O ATOM 0 H ASP A 104 14.433 -6.397 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 104 12.090 -6.033 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.885 -3.555 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.357 -4.573 0.190 1.00 0.00 H new ATOM 1684 N GLU A 105 15.017 -5.711 -2.146 1.00 0.00 N ATOM 1685 CA GLU A 105 16.081 -5.365 -3.083 1.00 0.00 C ATOM 1686 C GLU A 105 15.557 -5.317 -4.512 1.00 0.00 C ATOM 1687 O GLU A 105 15.943 -4.453 -5.299 1.00 0.00 O ATOM 1688 CB GLU A 105 17.228 -6.373 -2.981 1.00 0.00 C ATOM 1689 CG GLU A 105 17.907 -6.388 -1.621 1.00 0.00 C ATOM 1690 CD GLU A 105 18.901 -7.523 -1.480 1.00 0.00 C ATOM 1691 OE1 GLU A 105 19.920 -7.514 -2.203 1.00 0.00 O ATOM 1692 OE2 GLU A 105 18.662 -8.422 -0.646 1.00 0.00 O ATOM 0 H GLU A 105 15.220 -6.519 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 105 16.452 -4.374 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.844 -7.370 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.970 -6.144 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.420 -5.439 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.150 -6.474 -0.842 1.00 0.00 H new ATOM 1699 N LYS A 106 14.673 -6.251 -4.840 1.00 0.00 N ATOM 1700 CA LYS A 106 14.090 -6.317 -6.173 1.00 0.00 C ATOM 1701 C LYS A 106 13.135 -5.152 -6.407 1.00 0.00 C ATOM 1702 O LYS A 106 12.917 -4.733 -7.545 1.00 0.00 O ATOM 1703 CB LYS A 106 13.348 -7.642 -6.363 1.00 0.00 C ATOM 1704 CG LYS A 106 12.243 -7.871 -5.344 1.00 0.00 C ATOM 1705 CD LYS A 106 11.260 -8.934 -5.813 1.00 0.00 C ATOM 1706 CE LYS A 106 11.359 -10.197 -4.973 1.00 0.00 C ATOM 1707 NZ LYS A 106 10.190 -11.097 -5.182 1.00 0.00 N ATOM 0 H LYS A 106 14.344 -6.974 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 106 14.900 -6.253 -6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.919 -7.668 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.064 -8.462 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.681 -8.174 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.712 -6.936 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.245 -8.540 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.455 -9.175 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.276 -10.729 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.426 -9.928 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.296 -11.946 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.316 -10.598 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.141 -11.375 -6.183 1.00 0.00 H new ATOM 1721 N TYR A 107 12.561 -4.635 -5.325 1.00 0.00 N ATOM 1722 CA TYR A 107 11.626 -3.529 -5.409 1.00 0.00 C ATOM 1723 C TYR A 107 12.348 -2.187 -5.523 1.00 0.00 C ATOM 1724 O TYR A 107 11.917 -1.304 -6.264 1.00 0.00 O ATOM 1725 CB TYR A 107 10.726 -3.518 -4.177 1.00 0.00 C ATOM 1726 CG TYR A 107 10.017 -4.825 -3.910 1.00 0.00 C ATOM 1727 CD1 TYR A 107 10.005 -5.378 -2.637 1.00 0.00 C ATOM 1728 CD2 TYR A 107 9.345 -5.496 -4.922 1.00 0.00 C ATOM 1729 CE1 TYR A 107 9.348 -6.562 -2.378 1.00 0.00 C ATOM 1730 CE2 TYR A 107 8.685 -6.684 -4.674 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.689 -7.213 -3.400 1.00 0.00 C ATOM 1732 OH TYR A 107 8.029 -8.394 -3.148 1.00 0.00 O ATOM 0 H TYR A 107 12.731 -4.970 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 107 11.026 -3.669 -6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.327 -3.260 -3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.980 -2.732 -4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.520 -4.871 -1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.338 -5.083 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.349 -6.977 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.169 -7.196 -5.473 1.00 0.00 H new ATOM 0 HH TYR A 107 7.617 -8.721 -3.975 1.00 0.00 H new ATOM 1742 N LYS A 108 13.438 -2.032 -4.775 1.00 0.00 N ATOM 1743 CA LYS A 108 14.201 -0.782 -4.790 1.00 0.00 C ATOM 1744 C LYS A 108 14.936 -0.587 -6.115 1.00 0.00 C ATOM 1745 O LYS A 108 15.288 0.535 -6.476 1.00 0.00 O ATOM 1746 CB LYS A 108 15.219 -0.722 -3.637 1.00 0.00 C ATOM 1747 CG LYS A 108 14.985 -1.726 -2.520 1.00 0.00 C ATOM 1748 CD LYS A 108 15.782 -1.372 -1.273 1.00 0.00 C ATOM 1749 CE LYS A 108 15.481 0.040 -0.798 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.558 0.158 0.685 1.00 0.00 N ATOM 0 H LYS A 108 13.812 -2.750 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 108 13.475 0.021 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.217 -0.881 -4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.205 0.282 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.923 -1.759 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.265 -2.723 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.549 -2.081 -0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.847 -1.467 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.187 0.734 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.486 0.331 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.057 1.035 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.597 0.180 1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.074 -0.658 1.072 1.00 0.00 H new ATOM 1764 N ALA A 109 15.182 -1.681 -6.828 1.00 0.00 N ATOM 1765 CA ALA A 109 15.896 -1.613 -8.098 1.00 0.00 C ATOM 1766 C ALA A 109 14.981 -1.886 -9.287 1.00 0.00 C ATOM 1767 O ALA A 109 15.431 -2.396 -10.312 1.00 0.00 O ATOM 1768 CB ALA A 109 17.052 -2.596 -8.096 1.00 0.00 C ATOM 0 H ALA A 109 14.899 -2.621 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 109 16.277 -0.597 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.580 -2.539 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.738 -2.350 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.670 -3.607 -7.953 1.00 0.00 H new