USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 678 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 68 GLN : amide:sc= 0.951 K(o=0.95,f=-0.28) USER MOD Set 1.2: A 73 CYS SG : rot 130:sc= 0 USER MOD Set 2.1: A 41 CYS SG : rot -120:sc= -0.03 USER MOD Set 2.2: A 90 CYS SG : rot -171:sc= 0.217 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 28 ASN : amide:sc= -0.0598 X(o=-0.06,f=-0.34) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -136:sc= 0 (180deg=-0.00596) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc=-0.00233 (180deg=-0.07) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 57 THR OG1 : rot -75:sc= 0.873 USER MOD Single : A 64 HIS : no HD1:sc= -0.205 K(o=-0.21,f=-1.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.212 K(o=-0.21,f=-2) USER MOD Single : A 88 TYR OH : rot -27:sc= 0.263 USER MOD Single : A 91 MET CE :methyl -163:sc= -0.504 (180deg=-0.815) USER MOD Single : A 92 CYS SG : rot -27:sc= -3.37! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 151:sc=0.000591 USER MOD Single : A 100 MET CE :methyl -173:sc= -0.479 (180deg=-0.52) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.781 17.546 -3.339 1.00 0.00 N ATOM 259 CA ILE A 20 -1.777 16.617 -3.842 1.00 0.00 C ATOM 260 C ILE A 20 -2.411 15.546 -4.722 1.00 0.00 C ATOM 261 O ILE A 20 -3.460 14.993 -4.389 1.00 0.00 O ATOM 262 CB ILE A 20 -1.014 15.935 -2.691 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.339 16.984 -1.805 1.00 0.00 C ATOM 264 CG2 ILE A 20 0.013 14.958 -3.242 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.142 16.436 -0.479 1.00 0.00 C ATOM 0 HA ILE A 20 -1.075 17.202 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.726 15.378 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.509 17.410 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.041 17.797 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.544 14.484 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.492 14.195 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.724 15.494 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.610 17.235 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.705 16.036 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.868 15.642 -0.655 1.00 0.00 H new ATOM 277 N LYS A 21 -1.767 15.255 -5.848 1.00 0.00 N ATOM 278 CA LYS A 21 -2.265 14.247 -6.776 1.00 0.00 C ATOM 279 C LYS A 21 -1.178 13.231 -7.111 1.00 0.00 C ATOM 280 O LYS A 21 0.005 13.470 -6.866 1.00 0.00 O ATOM 281 CB LYS A 21 -2.771 14.911 -8.059 1.00 0.00 C ATOM 282 CG LYS A 21 -3.817 15.985 -7.816 1.00 0.00 C ATOM 283 CD LYS A 21 -4.864 16.002 -8.918 1.00 0.00 C ATOM 284 CE LYS A 21 -5.350 17.415 -9.202 1.00 0.00 C ATOM 285 NZ LYS A 21 -6.323 17.451 -10.329 1.00 0.00 N ATOM 0 H LYS A 21 -0.899 15.704 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.091 13.723 -6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.926 15.352 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.192 14.147 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.301 15.812 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.333 16.960 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.444 15.571 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.709 15.377 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.816 17.826 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.497 18.052 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.630 18.431 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.871 17.083 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.149 16.864 -10.094 1.00 0.00 H new ATOM 299 N PHE A 22 -1.586 12.099 -7.674 1.00 0.00 N ATOM 300 CA PHE A 22 -0.646 11.047 -8.044 1.00 0.00 C ATOM 301 C PHE A 22 0.010 11.351 -9.388 1.00 0.00 C ATOM 302 O PHE A 22 -0.672 11.591 -10.385 1.00 0.00 O ATOM 303 CB PHE A 22 -1.359 9.695 -8.106 1.00 0.00 C ATOM 304 CG PHE A 22 -1.265 8.909 -6.829 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.155 9.137 -5.793 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.286 7.942 -6.666 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.072 8.415 -4.617 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.198 7.217 -5.493 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.091 7.454 -4.466 1.00 0.00 C ATOM 0 H PHE A 22 -2.561 11.886 -7.884 1.00 0.00 H new ATOM 0 HA PHE A 22 0.132 11.005 -7.281 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.410 9.858 -8.347 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.934 9.106 -8.918 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.923 9.888 -5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.416 7.753 -7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.773 8.602 -3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.569 6.465 -5.379 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.022 6.890 -3.548 1.00 0.00 H new ATOM 319 N THR A 23 1.339 11.339 -9.408 1.00 0.00 N ATOM 320 CA THR A 23 2.088 11.615 -10.627 1.00 0.00 C ATOM 321 C THR A 23 2.291 10.345 -11.446 1.00 0.00 C ATOM 322 O THR A 23 2.200 10.367 -12.673 1.00 0.00 O ATOM 323 CB THR A 23 3.462 12.236 -10.314 1.00 0.00 C ATOM 324 OG1 THR A 23 4.124 11.475 -9.298 1.00 0.00 O ATOM 325 CG2 THR A 23 3.312 13.679 -9.857 1.00 0.00 C ATOM 0 H THR A 23 1.919 11.141 -8.593 1.00 0.00 H new ATOM 0 HA THR A 23 1.500 12.327 -11.205 1.00 0.00 H new ATOM 0 HB THR A 23 4.059 12.220 -11.226 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.997 11.876 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.296 14.097 -9.642 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.835 14.262 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.698 13.714 -8.957 1.00 0.00 H new ATOM 333 N GLU A 24 2.567 9.241 -10.759 1.00 0.00 N ATOM 334 CA GLU A 24 2.783 7.962 -11.425 1.00 0.00 C ATOM 335 C GLU A 24 2.042 6.840 -10.703 1.00 0.00 C ATOM 336 O GLU A 24 2.612 6.145 -9.863 1.00 0.00 O ATOM 337 CB GLU A 24 4.278 7.642 -11.490 1.00 0.00 C ATOM 338 CG GLU A 24 4.927 8.031 -12.807 1.00 0.00 C ATOM 339 CD GLU A 24 6.339 8.556 -12.629 1.00 0.00 C ATOM 340 OE1 GLU A 24 7.006 8.146 -11.656 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.776 9.376 -13.463 1.00 0.00 O ATOM 0 H GLU A 24 2.646 9.207 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 24 2.391 8.039 -12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.787 8.159 -10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.420 6.574 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.946 7.165 -13.468 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.319 8.792 -13.296 1.00 0.00 H new ATOM 348 N GLY A 25 0.766 6.671 -11.037 1.00 0.00 N ATOM 349 CA GLY A 25 -0.033 5.633 -10.411 1.00 0.00 C ATOM 350 C GLY A 25 0.624 4.269 -10.488 1.00 0.00 C ATOM 351 O GLY A 25 1.631 4.095 -11.176 1.00 0.00 O ATOM 0 H GLY A 25 0.272 7.234 -11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.205 5.892 -9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.010 5.590 -10.893 1.00 0.00 H new ATOM 355 N LEU A 26 0.057 3.300 -9.779 1.00 0.00 N ATOM 356 CA LEU A 26 0.595 1.944 -9.768 1.00 0.00 C ATOM 357 C LEU A 26 0.458 1.293 -11.141 1.00 0.00 C ATOM 358 O LEU A 26 -0.315 1.752 -11.982 1.00 0.00 O ATOM 359 CB LEU A 26 -0.123 1.098 -8.716 1.00 0.00 C ATOM 360 CG LEU A 26 -0.044 1.607 -7.276 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.076 0.909 -6.405 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.356 1.404 -6.715 1.00 0.00 C ATOM 0 H LEU A 26 -0.776 3.428 -9.204 1.00 0.00 H new ATOM 0 HA LEU A 26 1.654 2.002 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.174 1.021 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.289 0.089 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.263 2.675 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.004 1.284 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.075 1.106 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.890 -0.165 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.394 1.772 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.603 0.343 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.075 1.952 -7.324 1.00 0.00 H new ATOM 374 N ARG A 27 1.212 0.220 -11.359 1.00 0.00 N ATOM 375 CA ARG A 27 1.174 -0.494 -12.629 1.00 0.00 C ATOM 376 C ARG A 27 0.989 -1.992 -12.404 1.00 0.00 C ATOM 377 O ARG A 27 1.556 -2.565 -11.475 1.00 0.00 O ATOM 378 CB ARG A 27 2.458 -0.241 -13.420 1.00 0.00 C ATOM 379 CG ARG A 27 3.671 -0.968 -12.861 1.00 0.00 C ATOM 380 CD ARG A 27 4.968 -0.330 -13.331 1.00 0.00 C ATOM 381 NE ARG A 27 5.858 -1.300 -13.964 1.00 0.00 N ATOM 382 CZ ARG A 27 7.116 -1.034 -14.298 1.00 0.00 C ATOM 383 NH1 ARG A 27 7.630 0.165 -14.061 1.00 0.00 N ATOM 384 NH2 ARG A 27 7.863 -1.969 -14.871 1.00 0.00 N ATOM 0 H ARG A 27 1.856 -0.173 -10.673 1.00 0.00 H new ATOM 0 HA ARG A 27 0.324 -0.122 -13.201 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.305 -0.550 -14.454 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.661 0.830 -13.434 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.633 -0.957 -11.772 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.645 -2.013 -13.171 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.743 0.470 -14.036 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.476 0.127 -12.482 1.00 0.00 H new ATOM 0 HE ARG A 27 5.494 -2.232 -14.160 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.059 0.887 -13.621 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.596 0.366 -14.319 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.471 -2.893 -15.055 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.829 -1.764 -15.127 1.00 0.00 H new ATOM 398 N ASN A 28 0.191 -2.620 -13.262 1.00 0.00 N ATOM 399 CA ASN A 28 -0.070 -4.051 -13.157 1.00 0.00 C ATOM 400 C ASN A 28 1.235 -4.841 -13.126 1.00 0.00 C ATOM 401 O ASN A 28 1.995 -4.840 -14.094 1.00 0.00 O ATOM 402 CB ASN A 28 -0.935 -4.521 -14.327 1.00 0.00 C ATOM 403 CG ASN A 28 -2.247 -3.765 -14.415 1.00 0.00 C ATOM 404 OD1 ASN A 28 -3.084 -3.845 -13.516 1.00 0.00 O ATOM 405 ND2 ASN A 28 -2.433 -3.027 -15.504 1.00 0.00 N ATOM 0 H ASN A 28 -0.286 -2.160 -14.038 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.605 -4.229 -12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.382 -4.394 -15.258 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.139 -5.586 -14.220 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.297 -2.497 -15.620 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.712 -2.990 -16.224 1.00 0.00 H new ATOM 412 N GLU A 29 1.488 -5.514 -12.007 1.00 0.00 N ATOM 413 CA GLU A 29 2.701 -6.307 -11.851 1.00 0.00 C ATOM 414 C GLU A 29 2.376 -7.798 -11.819 1.00 0.00 C ATOM 415 O GLU A 29 1.246 -8.190 -11.529 1.00 0.00 O ATOM 416 CB GLU A 29 3.438 -5.907 -10.571 1.00 0.00 C ATOM 417 CG GLU A 29 4.770 -5.222 -10.825 1.00 0.00 C ATOM 418 CD GLU A 29 5.827 -6.176 -11.346 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.912 -6.351 -12.579 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.569 -6.747 -10.520 1.00 0.00 O ATOM 0 H GLU A 29 0.869 -5.525 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 29 3.345 -6.111 -12.708 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.802 -5.241 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.606 -6.797 -9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.628 -4.415 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.122 -4.766 -9.900 1.00 0.00 H new ATOM 427 N GLU A 30 3.375 -8.622 -12.118 1.00 0.00 N ATOM 428 CA GLU A 30 3.194 -10.069 -12.125 1.00 0.00 C ATOM 429 C GLU A 30 4.492 -10.781 -11.753 1.00 0.00 C ATOM 430 O GLU A 30 5.536 -10.550 -12.362 1.00 0.00 O ATOM 431 CB GLU A 30 2.718 -10.540 -13.500 1.00 0.00 C ATOM 432 CG GLU A 30 2.602 -12.050 -13.620 1.00 0.00 C ATOM 433 CD GLU A 30 2.240 -12.498 -15.023 1.00 0.00 C ATOM 434 OE1 GLU A 30 1.034 -12.513 -15.348 1.00 0.00 O ATOM 435 OE2 GLU A 30 3.161 -12.832 -15.796 1.00 0.00 O ATOM 0 H GLU A 30 4.317 -8.313 -12.358 1.00 0.00 H new ATOM 0 HA GLU A 30 2.436 -10.318 -11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.747 -10.092 -13.712 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.410 -10.176 -14.259 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.548 -12.507 -13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.846 -12.409 -12.922 1.00 0.00 H new ATOM 442 N ALA A 31 4.417 -11.647 -10.748 1.00 0.00 N ATOM 443 CA ALA A 31 5.584 -12.394 -10.295 1.00 0.00 C ATOM 444 C ALA A 31 5.265 -13.878 -10.152 1.00 0.00 C ATOM 445 O ALA A 31 4.104 -14.284 -10.214 1.00 0.00 O ATOM 446 CB ALA A 31 6.091 -11.832 -8.975 1.00 0.00 C ATOM 0 H ALA A 31 3.561 -11.849 -10.232 1.00 0.00 H new ATOM 0 HA ALA A 31 6.366 -12.288 -11.047 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.963 -12.399 -8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.368 -10.786 -9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.306 -11.907 -8.222 1.00 0.00 H new ATOM 452 N THR A 32 6.303 -14.687 -9.962 1.00 0.00 N ATOM 453 CA THR A 32 6.133 -16.127 -9.813 1.00 0.00 C ATOM 454 C THR A 32 6.162 -16.535 -8.344 1.00 0.00 C ATOM 455 O THR A 32 6.755 -15.848 -7.512 1.00 0.00 O ATOM 456 CB THR A 32 7.227 -16.903 -10.571 1.00 0.00 C ATOM 457 OG1 THR A 32 7.476 -16.285 -11.839 1.00 0.00 O ATOM 458 CG2 THR A 32 6.815 -18.352 -10.780 1.00 0.00 C ATOM 0 H THR A 32 7.271 -14.369 -9.908 1.00 0.00 H new ATOM 0 HA THR A 32 5.160 -16.376 -10.237 1.00 0.00 H new ATOM 0 HB THR A 32 8.138 -16.883 -9.972 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.174 -16.783 -12.314 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.603 -18.880 -11.317 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.654 -18.828 -9.813 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.893 -18.388 -11.360 1.00 0.00 H new ATOM 466 N GLU A 33 5.520 -17.656 -8.033 1.00 0.00 N ATOM 467 CA GLU A 33 5.473 -18.154 -6.664 1.00 0.00 C ATOM 468 C GLU A 33 6.876 -18.248 -6.071 1.00 0.00 C ATOM 469 O GLU A 33 7.765 -18.871 -6.649 1.00 0.00 O ATOM 470 CB GLU A 33 4.795 -19.525 -6.619 1.00 0.00 C ATOM 471 CG GLU A 33 3.625 -19.595 -5.653 1.00 0.00 C ATOM 472 CD GLU A 33 3.301 -21.014 -5.229 1.00 0.00 C ATOM 473 OE1 GLU A 33 2.968 -21.834 -6.110 1.00 0.00 O ATOM 474 OE2 GLU A 33 3.382 -21.305 -4.018 1.00 0.00 O ATOM 0 H GLU A 33 5.025 -18.236 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 33 4.892 -17.450 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.445 -19.781 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.533 -20.276 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.853 -18.999 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.746 -19.150 -6.120 1.00 0.00 H new ATOM 481 N GLY A 34 7.065 -17.624 -4.912 1.00 0.00 N ATOM 482 CA GLY A 34 8.361 -17.649 -4.260 1.00 0.00 C ATOM 483 C GLY A 34 9.192 -16.420 -4.574 1.00 0.00 C ATOM 484 O GLY A 34 10.132 -16.097 -3.849 1.00 0.00 O ATOM 0 H GLY A 34 6.344 -17.102 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.220 -17.723 -3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.904 -18.541 -4.572 1.00 0.00 H new ATOM 488 N ALA A 35 8.844 -15.734 -5.658 1.00 0.00 N ATOM 489 CA ALA A 35 9.564 -14.534 -6.066 1.00 0.00 C ATOM 490 C ALA A 35 9.292 -13.379 -5.109 1.00 0.00 C ATOM 491 O ALA A 35 8.678 -13.561 -4.056 1.00 0.00 O ATOM 492 CB ALA A 35 9.182 -14.147 -7.486 1.00 0.00 C ATOM 0 H ALA A 35 8.068 -15.989 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 35 10.631 -14.752 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.727 -13.249 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.434 -14.961 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.111 -13.953 -7.534 1.00 0.00 H new ATOM 498 N THR A 36 9.753 -12.188 -5.479 1.00 0.00 N ATOM 499 CA THR A 36 9.560 -11.003 -4.653 1.00 0.00 C ATOM 500 C THR A 36 8.862 -9.895 -5.434 1.00 0.00 C ATOM 501 O THR A 36 9.399 -9.381 -6.415 1.00 0.00 O ATOM 502 CB THR A 36 10.902 -10.469 -4.115 1.00 0.00 C ATOM 503 OG1 THR A 36 11.659 -11.539 -3.539 1.00 0.00 O ATOM 504 CG2 THR A 36 10.674 -9.384 -3.074 1.00 0.00 C ATOM 0 H THR A 36 10.263 -12.019 -6.346 1.00 0.00 H new ATOM 0 HA THR A 36 8.933 -11.302 -3.813 1.00 0.00 H new ATOM 0 HB THR A 36 11.458 -10.039 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.511 -11.192 -3.201 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.635 -9.022 -2.709 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.123 -8.558 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.100 -9.793 -2.242 1.00 0.00 H new ATOM 512 N ALA A 37 7.663 -9.532 -4.992 1.00 0.00 N ATOM 513 CA ALA A 37 6.892 -8.483 -5.649 1.00 0.00 C ATOM 514 C ALA A 37 7.070 -7.145 -4.938 1.00 0.00 C ATOM 515 O ALA A 37 6.750 -7.011 -3.757 1.00 0.00 O ATOM 516 CB ALA A 37 5.420 -8.864 -5.701 1.00 0.00 C ATOM 0 H ALA A 37 7.204 -9.948 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 37 7.264 -8.376 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.856 -8.072 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.304 -9.793 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.043 -9.000 -4.687 1.00 0.00 H new ATOM 522 N VAL A 38 7.583 -6.158 -5.666 1.00 0.00 N ATOM 523 CA VAL A 38 7.803 -4.830 -5.105 1.00 0.00 C ATOM 524 C VAL A 38 7.199 -3.750 -5.996 1.00 0.00 C ATOM 525 O VAL A 38 7.701 -3.478 -7.087 1.00 0.00 O ATOM 526 CB VAL A 38 9.304 -4.543 -4.915 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.509 -3.188 -4.254 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.958 -5.647 -4.098 1.00 0.00 C ATOM 0 H VAL A 38 7.854 -6.253 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 38 7.311 -4.812 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 38 9.778 -4.518 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.576 -3.002 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.077 -2.408 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.022 -3.181 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.018 -5.428 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.482 -5.706 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.843 -6.599 -4.615 1.00 0.00 H new ATOM 538 N LEU A 39 6.118 -3.138 -5.525 1.00 0.00 N ATOM 539 CA LEU A 39 5.445 -2.087 -6.279 1.00 0.00 C ATOM 540 C LEU A 39 6.023 -0.717 -5.939 1.00 0.00 C ATOM 541 O LEU A 39 6.524 -0.500 -4.835 1.00 0.00 O ATOM 542 CB LEU A 39 3.943 -2.105 -5.987 1.00 0.00 C ATOM 543 CG LEU A 39 3.205 -3.395 -6.347 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.349 -3.863 -5.181 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.351 -3.192 -7.590 1.00 0.00 C ATOM 0 H LEU A 39 5.689 -3.352 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 39 5.606 -2.276 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.797 -1.911 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.478 -1.281 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 39 3.945 -4.166 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.831 -4.782 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.984 -4.049 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.617 -3.094 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.833 -4.120 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.619 -2.406 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.988 -2.904 -8.426 1.00 0.00 H new ATOM 557 N ARG A 40 5.950 0.204 -6.894 1.00 0.00 N ATOM 558 CA ARG A 40 6.466 1.553 -6.695 1.00 0.00 C ATOM 559 C ARG A 40 5.529 2.590 -7.309 1.00 0.00 C ATOM 560 O ARG A 40 4.946 2.362 -8.370 1.00 0.00 O ATOM 561 CB ARG A 40 7.861 1.684 -7.308 1.00 0.00 C ATOM 562 CG ARG A 40 8.794 0.540 -6.948 1.00 0.00 C ATOM 563 CD ARG A 40 8.905 -0.466 -8.083 1.00 0.00 C ATOM 564 NE ARG A 40 10.145 -1.235 -8.014 1.00 0.00 N ATOM 565 CZ ARG A 40 10.344 -2.370 -8.675 1.00 0.00 C ATOM 566 NH1 ARG A 40 9.390 -2.864 -9.452 1.00 0.00 N ATOM 567 NH2 ARG A 40 11.500 -3.012 -8.561 1.00 0.00 N ATOM 0 H ARG A 40 5.539 0.041 -7.813 1.00 0.00 H new ATOM 0 HA ARG A 40 6.529 1.736 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.768 1.738 -8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.307 2.623 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.782 0.935 -6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.429 0.040 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.054 -1.146 -8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.856 0.058 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 40 10.900 -0.881 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.501 -2.372 -9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.545 -3.736 -9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.237 -2.634 -7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.652 -3.883 -9.069 1.00 0.00 H new ATOM 581 N CYS A 41 5.390 3.726 -6.637 1.00 0.00 N ATOM 582 CA CYS A 41 4.523 4.797 -7.116 1.00 0.00 C ATOM 583 C CYS A 41 5.041 6.159 -6.664 1.00 0.00 C ATOM 584 O CYS A 41 5.581 6.295 -5.567 1.00 0.00 O ATOM 585 CB CYS A 41 3.095 4.589 -6.612 1.00 0.00 C ATOM 586 SG CYS A 41 2.926 4.678 -4.814 1.00 0.00 S ATOM 0 H CYS A 41 5.866 3.930 -5.758 1.00 0.00 H new ATOM 0 HA CYS A 41 4.523 4.771 -8.206 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.448 5.341 -7.065 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.739 3.616 -6.952 1.00 0.00 H new ATOM 0 HG CYS A 41 2.458 3.551 -4.366 1.00 0.00 H new ATOM 592 N GLU A 42 4.875 7.163 -7.519 1.00 0.00 N ATOM 593 CA GLU A 42 5.328 8.514 -7.208 1.00 0.00 C ATOM 594 C GLU A 42 4.143 9.437 -6.939 1.00 0.00 C ATOM 595 O GLU A 42 3.044 9.221 -7.452 1.00 0.00 O ATOM 596 CB GLU A 42 6.171 9.070 -8.358 1.00 0.00 C ATOM 597 CG GLU A 42 7.256 10.033 -7.907 1.00 0.00 C ATOM 598 CD GLU A 42 8.228 10.380 -9.018 1.00 0.00 C ATOM 599 OE1 GLU A 42 7.768 10.841 -10.084 1.00 0.00 O ATOM 600 OE2 GLU A 42 9.446 10.190 -8.823 1.00 0.00 O ATOM 0 H GLU A 42 4.430 7.067 -8.432 1.00 0.00 H new ATOM 0 HA GLU A 42 5.941 8.466 -6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.633 8.240 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.516 9.579 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.793 10.947 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.804 9.592 -7.074 1.00 0.00 H new ATOM 607 N LEU A 43 4.375 10.465 -6.131 1.00 0.00 N ATOM 608 CA LEU A 43 3.327 11.422 -5.792 1.00 0.00 C ATOM 609 C LEU A 43 3.742 12.841 -6.169 1.00 0.00 C ATOM 610 O LEU A 43 4.895 13.087 -6.523 1.00 0.00 O ATOM 611 CB LEU A 43 3.009 11.352 -4.297 1.00 0.00 C ATOM 612 CG LEU A 43 2.086 10.214 -3.860 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.391 9.799 -2.429 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.628 10.627 -3.998 1.00 0.00 C ATOM 0 H LEU A 43 5.278 10.658 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 43 2.434 11.161 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.948 11.262 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.555 12.297 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 43 2.264 9.358 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.724 8.988 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.425 9.461 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.242 10.650 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.014 9.805 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.436 11.498 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.417 10.874 -5.038 1.00 0.00 H new ATOM 626 N SER A 44 2.796 13.770 -6.088 1.00 0.00 N ATOM 627 CA SER A 44 3.063 15.164 -6.422 1.00 0.00 C ATOM 628 C SER A 44 3.712 15.890 -5.247 1.00 0.00 C ATOM 629 O SER A 44 4.455 16.854 -5.432 1.00 0.00 O ATOM 630 CB SER A 44 1.766 15.873 -6.820 1.00 0.00 C ATOM 631 OG SER A 44 2.019 17.204 -7.234 1.00 0.00 O ATOM 0 H SER A 44 1.837 13.583 -5.794 1.00 0.00 H new ATOM 0 HA SER A 44 3.753 15.184 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.281 15.324 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.076 15.876 -5.976 1.00 0.00 H new ATOM 0 HG SER A 44 1.175 17.635 -7.484 1.00 0.00 H new ATOM 637 N LYS A 45 3.426 15.419 -4.038 1.00 0.00 N ATOM 638 CA LYS A 45 3.981 16.020 -2.832 1.00 0.00 C ATOM 639 C LYS A 45 4.043 15.003 -1.696 1.00 0.00 C ATOM 640 O LYS A 45 3.159 14.159 -1.558 1.00 0.00 O ATOM 641 CB LYS A 45 3.141 17.226 -2.405 1.00 0.00 C ATOM 642 CG LYS A 45 3.963 18.475 -2.135 1.00 0.00 C ATOM 643 CD LYS A 45 3.373 19.295 -0.999 1.00 0.00 C ATOM 644 CE LYS A 45 3.866 18.807 0.355 1.00 0.00 C ATOM 645 NZ LYS A 45 3.757 19.864 1.398 1.00 0.00 N ATOM 0 H LYS A 45 2.812 14.622 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 45 4.995 16.352 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.410 17.443 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.581 16.968 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.986 18.192 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.010 19.083 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.641 20.344 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.285 19.237 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.287 17.935 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.904 18.487 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.103 19.493 2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.329 20.687 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.763 20.152 1.498 1.00 0.00 H new ATOM 659 N MET A 46 5.093 15.091 -0.886 1.00 0.00 N ATOM 660 CA MET A 46 5.268 14.180 0.239 1.00 0.00 C ATOM 661 C MET A 46 4.037 14.183 1.138 1.00 0.00 C ATOM 662 O MET A 46 3.579 15.238 1.575 1.00 0.00 O ATOM 663 CB MET A 46 6.507 14.568 1.049 1.00 0.00 C ATOM 664 CG MET A 46 6.688 13.744 2.314 1.00 0.00 C ATOM 665 SD MET A 46 8.101 14.282 3.297 1.00 0.00 S ATOM 666 CE MET A 46 7.413 15.715 4.122 1.00 0.00 C ATOM 0 H MET A 46 5.835 15.783 -0.988 1.00 0.00 H new ATOM 0 HA MET A 46 5.403 13.174 -0.158 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.391 14.455 0.422 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.440 15.622 1.318 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.783 13.810 2.919 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.816 12.695 2.045 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.135 16.532 4.095 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.498 16.022 3.615 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.187 15.464 5.158 1.00 0.00 H new ATOM 676 N ALA A 47 3.505 12.996 1.410 1.00 0.00 N ATOM 677 CA ALA A 47 2.327 12.863 2.259 1.00 0.00 C ATOM 678 C ALA A 47 2.103 11.409 2.663 1.00 0.00 C ATOM 679 O ALA A 47 2.609 10.480 2.034 1.00 0.00 O ATOM 680 CB ALA A 47 1.099 13.410 1.547 1.00 0.00 C ATOM 0 H ALA A 47 3.871 12.113 1.055 1.00 0.00 H new ATOM 0 HA ALA A 47 2.496 13.443 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.227 13.304 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.253 14.464 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.936 12.854 0.623 1.00 0.00 H new ATOM 686 N PRO A 48 1.328 11.206 3.739 1.00 0.00 N ATOM 687 CA PRO A 48 1.020 9.868 4.251 1.00 0.00 C ATOM 688 C PRO A 48 0.099 9.088 3.318 1.00 0.00 C ATOM 689 O PRO A 48 -0.925 9.602 2.867 1.00 0.00 O ATOM 690 CB PRO A 48 0.318 10.150 5.582 1.00 0.00 C ATOM 691 CG PRO A 48 -0.261 11.514 5.423 1.00 0.00 C ATOM 692 CD PRO A 48 0.692 12.268 4.537 1.00 0.00 C ATOM 0 HA PRO A 48 1.915 9.253 4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.458 9.412 5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.019 10.112 6.415 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.254 11.467 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.369 12.007 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.170 12.987 3.906 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.425 12.827 5.119 1.00 0.00 H new ATOM 700 N VAL A 49 0.470 7.844 3.033 1.00 0.00 N ATOM 701 CA VAL A 49 -0.324 6.992 2.155 1.00 0.00 C ATOM 702 C VAL A 49 -0.850 5.772 2.901 1.00 0.00 C ATOM 703 O VAL A 49 -0.395 5.462 4.002 1.00 0.00 O ATOM 704 CB VAL A 49 0.495 6.522 0.938 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.954 7.713 0.111 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.683 5.685 1.387 1.00 0.00 C ATOM 0 H VAL A 49 1.315 7.404 3.397 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.165 7.592 1.808 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.143 5.899 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.531 7.361 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.085 8.268 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.576 8.364 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.251 5.361 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.324 6.282 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.327 4.811 1.933 1.00 0.00 H new ATOM 716 N GLU A 50 -1.811 5.082 2.294 1.00 0.00 N ATOM 717 CA GLU A 50 -2.399 3.894 2.903 1.00 0.00 C ATOM 718 C GLU A 50 -2.545 2.773 1.878 1.00 0.00 C ATOM 719 O GLU A 50 -3.214 2.936 0.857 1.00 0.00 O ATOM 720 CB GLU A 50 -3.763 4.227 3.510 1.00 0.00 C ATOM 721 CG GLU A 50 -3.688 5.179 4.692 1.00 0.00 C ATOM 722 CD GLU A 50 -4.217 6.561 4.363 1.00 0.00 C ATOM 723 OE1 GLU A 50 -5.352 6.655 3.851 1.00 0.00 O ATOM 724 OE2 GLU A 50 -3.496 7.549 4.617 1.00 0.00 O ATOM 0 H GLU A 50 -2.198 5.325 1.382 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.731 3.554 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.396 4.667 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.245 3.303 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.258 4.765 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.653 5.260 5.023 1.00 0.00 H new ATOM 731 N TRP A 51 -1.916 1.638 2.158 1.00 0.00 N ATOM 732 CA TRP A 51 -1.976 0.490 1.260 1.00 0.00 C ATOM 733 C TRP A 51 -3.124 -0.439 1.640 1.00 0.00 C ATOM 734 O TRP A 51 -3.091 -1.085 2.687 1.00 0.00 O ATOM 735 CB TRP A 51 -0.652 -0.276 1.290 1.00 0.00 C ATOM 736 CG TRP A 51 0.505 0.515 0.760 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.334 1.333 1.473 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.959 0.566 -0.597 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.276 1.889 0.642 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.068 1.433 -0.633 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.538 -0.039 -1.784 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.758 1.710 -1.810 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.223 0.236 -2.952 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.324 1.104 -2.958 1.00 0.00 C ATOM 0 H TRP A 51 -1.359 1.487 2.999 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.152 0.859 0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.438 -0.577 2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.756 -1.190 0.705 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.260 1.516 2.535 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.011 2.536 0.928 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.308 -0.710 -1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.606 2.379 -1.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.905 -0.225 -3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.840 1.298 -3.887 1.00 0.00 H new ATOM 755 N TRP A 52 -4.137 -0.501 0.783 1.00 0.00 N ATOM 756 CA TRP A 52 -5.295 -1.352 1.030 1.00 0.00 C ATOM 757 C TRP A 52 -5.297 -2.554 0.092 1.00 0.00 C ATOM 758 O TRP A 52 -4.800 -2.479 -1.031 1.00 0.00 O ATOM 759 CB TRP A 52 -6.588 -0.552 0.857 1.00 0.00 C ATOM 760 CG TRP A 52 -6.776 0.506 1.901 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.079 1.675 2.020 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.723 0.491 2.976 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.535 2.386 3.103 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.544 1.682 3.705 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.705 -0.412 3.391 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.311 1.991 4.826 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.465 -0.105 4.503 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.265 1.088 5.210 1.00 0.00 C ATOM 0 H TRP A 52 -4.180 0.028 -0.088 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.235 -1.715 2.056 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.589 -0.085 -0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.436 -1.236 0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.286 1.993 1.360 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.180 3.292 3.409 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.867 -1.334 2.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.158 2.910 5.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.226 -0.796 4.833 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.876 1.299 6.075 1.00 0.00 H new ATOM 779 N LYS A 53 -5.861 -3.663 0.560 1.00 0.00 N ATOM 780 CA LYS A 53 -5.929 -4.882 -0.237 1.00 0.00 C ATOM 781 C LYS A 53 -7.251 -5.608 -0.008 1.00 0.00 C ATOM 782 O LYS A 53 -7.414 -6.322 0.981 1.00 0.00 O ATOM 783 CB LYS A 53 -4.760 -5.807 0.107 1.00 0.00 C ATOM 784 CG LYS A 53 -4.585 -6.956 -0.871 1.00 0.00 C ATOM 785 CD LYS A 53 -3.413 -7.843 -0.485 1.00 0.00 C ATOM 786 CE LYS A 53 -3.834 -9.300 -0.365 1.00 0.00 C ATOM 787 NZ LYS A 53 -4.767 -9.515 0.776 1.00 0.00 N ATOM 0 H LYS A 53 -6.278 -3.742 1.488 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.865 -4.603 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.841 -5.222 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.911 -6.212 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.498 -7.551 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.428 -6.560 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.624 -7.751 -1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.995 -7.504 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.314 -9.617 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.950 -9.924 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.806 -10.528 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.431 -8.984 1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.717 -9.183 0.515 1.00 0.00 H new ATOM 801 N GLY A 54 -8.191 -5.422 -0.929 1.00 0.00 N ATOM 802 CA GLY A 54 -9.485 -6.068 -0.809 1.00 0.00 C ATOM 803 C GLY A 54 -10.303 -5.517 0.342 1.00 0.00 C ATOM 804 O GLY A 54 -10.666 -6.250 1.262 1.00 0.00 O ATOM 0 H GLY A 54 -8.080 -4.836 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.039 -5.940 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.341 -7.139 -0.669 1.00 0.00 H new ATOM 808 N HIS A 55 -10.594 -4.221 0.292 1.00 0.00 N ATOM 809 CA HIS A 55 -11.374 -3.571 1.340 1.00 0.00 C ATOM 810 C HIS A 55 -10.770 -3.844 2.714 1.00 0.00 C ATOM 811 O HIS A 55 -11.488 -3.943 3.709 1.00 0.00 O ATOM 812 CB HIS A 55 -12.823 -4.057 1.301 1.00 0.00 C ATOM 813 CG HIS A 55 -13.452 -3.957 -0.055 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.669 -5.051 -0.866 1.00 0.00 N ATOM 815 CD2 HIS A 55 -13.913 -2.885 -0.740 1.00 0.00 C ATOM 816 CE1 HIS A 55 -14.235 -4.656 -1.992 1.00 0.00 C ATOM 817 NE2 HIS A 55 -14.394 -3.346 -1.941 1.00 0.00 N ATOM 0 H HIS A 55 -10.302 -3.600 -0.463 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.354 -2.496 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.859 -5.094 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.412 -3.475 2.010 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.904 -1.858 -0.405 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -14.519 -5.296 -2.815 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -14.807 -2.770 -2.675 1.00 0.00 H new ATOM 825 N GLU A 56 -9.447 -3.964 2.761 1.00 0.00 N ATOM 826 CA GLU A 56 -8.749 -4.227 4.014 1.00 0.00 C ATOM 827 C GLU A 56 -7.449 -3.430 4.090 1.00 0.00 C ATOM 828 O GLU A 56 -6.846 -3.105 3.067 1.00 0.00 O ATOM 829 CB GLU A 56 -8.452 -5.722 4.154 1.00 0.00 C ATOM 830 CG GLU A 56 -8.049 -6.133 5.561 1.00 0.00 C ATOM 831 CD GLU A 56 -7.570 -7.569 5.634 1.00 0.00 C ATOM 832 OE1 GLU A 56 -6.499 -7.868 5.064 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.265 -8.395 6.261 1.00 0.00 O ATOM 0 H GLU A 56 -8.838 -3.883 1.947 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.396 -3.914 4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.335 -6.289 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.653 -5.992 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.259 -5.472 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.899 -6.003 6.231 1.00 0.00 H new ATOM 840 N THR A 57 -7.024 -3.118 5.310 1.00 0.00 N ATOM 841 CA THR A 57 -5.798 -2.358 5.521 1.00 0.00 C ATOM 842 C THR A 57 -4.641 -3.275 5.900 1.00 0.00 C ATOM 843 O THR A 57 -4.793 -4.173 6.729 1.00 0.00 O ATOM 844 CB THR A 57 -5.978 -1.296 6.621 1.00 0.00 C ATOM 845 OG1 THR A 57 -7.368 -0.991 6.785 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.213 -0.027 6.279 1.00 0.00 C ATOM 0 H THR A 57 -7.511 -3.380 6.167 1.00 0.00 H new ATOM 0 HA THR A 57 -5.569 -1.859 4.579 1.00 0.00 H new ATOM 0 HB THR A 57 -5.582 -1.700 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.669 -0.428 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.356 0.708 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.152 -0.256 6.184 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.583 0.378 5.337 1.00 0.00 H new ATOM 854 N LEU A 58 -3.484 -3.043 5.290 1.00 0.00 N ATOM 855 CA LEU A 58 -2.299 -3.849 5.565 1.00 0.00 C ATOM 856 C LEU A 58 -1.489 -3.253 6.711 1.00 0.00 C ATOM 857 O LEU A 58 -1.901 -2.272 7.331 1.00 0.00 O ATOM 858 CB LEU A 58 -1.429 -3.955 4.311 1.00 0.00 C ATOM 859 CG LEU A 58 -2.140 -4.412 3.037 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.245 -4.208 1.824 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.558 -5.871 3.154 1.00 0.00 C ATOM 0 H LEU A 58 -3.341 -2.304 4.602 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.627 -4.846 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.979 -2.980 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.613 -4.648 4.517 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.037 -3.807 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.768 -4.539 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.995 -3.151 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.330 -4.788 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.063 -6.179 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.675 -6.491 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.236 -5.989 3.999 1.00 0.00 H new ATOM 873 N ARG A 59 -0.335 -3.851 6.987 1.00 0.00 N ATOM 874 CA ARG A 59 0.533 -3.378 8.058 1.00 0.00 C ATOM 875 C ARG A 59 2.000 -3.623 7.717 1.00 0.00 C ATOM 876 O ARG A 59 2.319 -4.437 6.850 1.00 0.00 O ATOM 877 CB ARG A 59 0.182 -4.075 9.374 1.00 0.00 C ATOM 878 CG ARG A 59 -1.086 -3.545 10.024 1.00 0.00 C ATOM 879 CD ARG A 59 -0.884 -2.143 10.576 1.00 0.00 C ATOM 880 NE ARG A 59 -2.017 -1.705 11.387 1.00 0.00 N ATOM 881 CZ ARG A 59 -2.045 -0.554 12.050 1.00 0.00 C ATOM 882 NH1 ARG A 59 -1.008 0.270 11.998 1.00 0.00 N ATOM 883 NH2 ARG A 59 -3.113 -0.226 12.766 1.00 0.00 N ATOM 0 H ARG A 59 0.020 -4.664 6.484 1.00 0.00 H new ATOM 0 HA ARG A 59 0.377 -2.305 8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.067 -5.143 9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.013 -3.959 10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.895 -3.537 9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.391 -4.214 10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.024 -2.118 11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.738 -1.446 9.751 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.831 -2.316 11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.186 0.021 11.448 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.032 1.153 12.508 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.913 -0.858 12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.134 0.658 13.275 1.00 0.00 H new ATOM 897 N ASP A 60 2.889 -2.912 8.403 1.00 0.00 N ATOM 898 CA ASP A 60 4.322 -3.052 8.174 1.00 0.00 C ATOM 899 C ASP A 60 4.942 -4.017 9.180 1.00 0.00 C ATOM 900 O ASP A 60 4.788 -3.853 10.389 1.00 0.00 O ATOM 901 CB ASP A 60 5.010 -1.690 8.265 1.00 0.00 C ATOM 902 CG ASP A 60 4.977 -1.117 9.668 1.00 0.00 C ATOM 903 OD1 ASP A 60 3.899 -0.652 10.095 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.029 -1.134 10.340 1.00 0.00 O ATOM 0 H ASP A 60 2.642 -2.233 9.123 1.00 0.00 H new ATOM 0 HA ASP A 60 4.467 -3.457 7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.046 -1.787 7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.525 -0.995 7.580 1.00 0.00 H new ATOM 909 N GLY A 61 5.642 -5.026 8.670 1.00 0.00 N ATOM 910 CA GLY A 61 6.274 -6.003 9.538 1.00 0.00 C ATOM 911 C GLY A 61 7.465 -6.675 8.884 1.00 0.00 C ATOM 912 O GLY A 61 8.298 -6.011 8.266 1.00 0.00 O ATOM 0 H GLY A 61 5.783 -5.184 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.596 -5.513 10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.543 -6.761 9.820 1.00 0.00 H new ATOM 916 N ASP A 62 7.548 -7.993 9.022 1.00 0.00 N ATOM 917 CA ASP A 62 8.647 -8.755 8.440 1.00 0.00 C ATOM 918 C ASP A 62 8.375 -9.068 6.972 1.00 0.00 C ATOM 919 O ASP A 62 9.089 -8.602 6.085 1.00 0.00 O ATOM 920 CB ASP A 62 8.865 -10.053 9.219 1.00 0.00 C ATOM 921 CG ASP A 62 9.915 -9.909 10.303 1.00 0.00 C ATOM 922 OD1 ASP A 62 9.556 -9.495 11.426 1.00 0.00 O ATOM 923 OD2 ASP A 62 11.095 -10.211 10.029 1.00 0.00 O ATOM 0 H ASP A 62 6.868 -8.557 9.532 1.00 0.00 H new ATOM 0 HA ASP A 62 9.550 -8.147 8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.923 -10.366 9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.165 -10.841 8.529 1.00 0.00 H new ATOM 928 N ARG A 63 7.337 -9.861 6.724 1.00 0.00 N ATOM 929 CA ARG A 63 6.972 -10.238 5.364 1.00 0.00 C ATOM 930 C ARG A 63 6.702 -9.002 4.511 1.00 0.00 C ATOM 931 O ARG A 63 7.166 -8.905 3.375 1.00 0.00 O ATOM 932 CB ARG A 63 5.737 -11.141 5.377 1.00 0.00 C ATOM 933 CG ARG A 63 5.911 -12.398 6.213 1.00 0.00 C ATOM 934 CD ARG A 63 5.093 -12.334 7.493 1.00 0.00 C ATOM 935 NE ARG A 63 5.420 -13.423 8.408 1.00 0.00 N ATOM 936 CZ ARG A 63 4.770 -13.650 9.544 1.00 0.00 C ATOM 937 NH1 ARG A 63 3.761 -12.868 9.901 1.00 0.00 N ATOM 938 NH2 ARG A 63 5.127 -14.662 10.324 1.00 0.00 N ATOM 0 H ARG A 63 6.735 -10.254 7.447 1.00 0.00 H new ATOM 0 HA ARG A 63 7.809 -10.784 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.888 -10.575 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.495 -11.426 4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.609 -13.268 5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.965 -12.529 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.270 -11.379 7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.032 -12.374 7.247 1.00 0.00 H new ATOM 0 HE ARG A 63 6.190 -14.044 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.482 -12.090 9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.263 -13.044 10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.902 -15.267 10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.627 -14.835 11.196 1.00 0.00 H new ATOM 952 N HIS A 64 5.947 -8.059 5.067 1.00 0.00 N ATOM 953 CA HIS A 64 5.615 -6.829 4.357 1.00 0.00 C ATOM 954 C HIS A 64 6.522 -5.684 4.800 1.00 0.00 C ATOM 955 O HIS A 64 6.551 -5.321 5.976 1.00 0.00 O ATOM 956 CB HIS A 64 4.152 -6.456 4.596 1.00 0.00 C ATOM 957 CG HIS A 64 3.187 -7.525 4.184 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.084 -8.737 4.834 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.277 -7.559 3.183 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.154 -9.470 4.249 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.648 -8.778 3.244 1.00 0.00 N ATOM 0 H HIS A 64 5.554 -8.123 6.006 1.00 0.00 H new ATOM 0 HA HIS A 64 5.769 -7.001 3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.009 -6.237 5.654 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.924 -5.542 4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.082 -6.773 2.469 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.858 -10.466 4.543 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.910 -9.097 2.616 1.00 0.00 H new ATOM 969 N SER A 65 7.263 -5.121 3.850 1.00 0.00 N ATOM 970 CA SER A 65 8.174 -4.021 4.144 1.00 0.00 C ATOM 971 C SER A 65 7.693 -2.728 3.492 1.00 0.00 C ATOM 972 O SER A 65 7.657 -2.612 2.266 1.00 0.00 O ATOM 973 CB SER A 65 9.585 -4.356 3.656 1.00 0.00 C ATOM 974 OG SER A 65 10.071 -5.536 4.273 1.00 0.00 O ATOM 0 H SER A 65 7.250 -5.408 2.871 1.00 0.00 H new ATOM 0 HA SER A 65 8.194 -3.877 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.578 -4.484 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.256 -3.525 3.874 1.00 0.00 H new ATOM 0 HG SER A 65 10.973 -5.730 3.943 1.00 0.00 H new ATOM 980 N LEU A 66 7.322 -1.758 4.321 1.00 0.00 N ATOM 981 CA LEU A 66 6.842 -0.472 3.827 1.00 0.00 C ATOM 982 C LEU A 66 7.883 0.620 4.051 1.00 0.00 C ATOM 983 O LEU A 66 8.262 0.907 5.187 1.00 0.00 O ATOM 984 CB LEU A 66 5.533 -0.094 4.521 1.00 0.00 C ATOM 985 CG LEU A 66 4.270 -0.770 3.986 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.289 -2.259 4.297 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.026 -0.117 4.571 1.00 0.00 C ATOM 0 H LEU A 66 7.344 -1.838 5.338 1.00 0.00 H new ATOM 0 HA LEU A 66 6.665 -0.565 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.626 -0.330 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.403 0.986 4.445 1.00 0.00 H new ATOM 0 HG LEU A 66 4.246 -0.646 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.382 -2.723 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.160 -2.717 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.338 -2.405 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.137 -0.611 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.043 -0.209 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.006 0.938 4.297 1.00 0.00 H new ATOM 999 N ARG A 67 8.341 1.227 2.961 1.00 0.00 N ATOM 1000 CA ARG A 67 9.338 2.288 3.038 1.00 0.00 C ATOM 1001 C ARG A 67 8.917 3.491 2.199 1.00 0.00 C ATOM 1002 O ARG A 67 8.440 3.339 1.075 1.00 0.00 O ATOM 1003 CB ARG A 67 10.699 1.774 2.565 1.00 0.00 C ATOM 1004 CG ARG A 67 10.632 0.964 1.281 1.00 0.00 C ATOM 1005 CD ARG A 67 12.001 0.434 0.885 1.00 0.00 C ATOM 1006 NE ARG A 67 12.184 0.422 -0.564 1.00 0.00 N ATOM 1007 CZ ARG A 67 11.678 -0.512 -1.361 1.00 0.00 C ATOM 1008 NH1 ARG A 67 10.961 -1.505 -0.853 1.00 0.00 N ATOM 1009 NH2 ARG A 67 11.889 -0.455 -2.670 1.00 0.00 N ATOM 0 H ARG A 67 8.037 1.002 2.014 1.00 0.00 H new ATOM 0 HA ARG A 67 9.418 2.602 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.366 2.623 2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.138 1.159 3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.942 0.131 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.235 1.585 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.775 1.050 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.125 -0.576 1.275 1.00 0.00 H new ATOM 0 HE ARG A 67 12.730 1.172 -0.987 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.797 -1.553 0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.574 -2.221 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.440 0.307 -3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.500 -1.173 -3.281 1.00 0.00 H new ATOM 1023 N GLN A 68 9.096 4.685 2.754 1.00 0.00 N ATOM 1024 CA GLN A 68 8.734 5.914 2.057 1.00 0.00 C ATOM 1025 C GLN A 68 9.872 6.927 2.112 1.00 0.00 C ATOM 1026 O GLN A 68 10.559 7.049 3.127 1.00 0.00 O ATOM 1027 CB GLN A 68 7.468 6.517 2.669 1.00 0.00 C ATOM 1028 CG GLN A 68 7.036 7.818 2.011 1.00 0.00 C ATOM 1029 CD GLN A 68 5.673 8.285 2.483 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.303 8.090 3.641 1.00 0.00 O ATOM 1031 NE2 GLN A 68 4.917 8.907 1.585 1.00 0.00 N ATOM 0 H GLN A 68 9.489 4.828 3.684 1.00 0.00 H new ATOM 0 HA GLN A 68 8.543 5.667 1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.657 5.793 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.637 6.695 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.775 8.591 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.016 7.685 0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.264 9.047 0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.990 9.244 1.845 1.00 0.00 H new ATOM 1040 N ASP A 69 10.067 7.650 1.015 1.00 0.00 N ATOM 1041 CA ASP A 69 11.122 8.654 0.939 1.00 0.00 C ATOM 1042 C ASP A 69 10.658 9.871 0.145 1.00 0.00 C ATOM 1043 O ASP A 69 10.929 9.986 -1.050 1.00 0.00 O ATOM 1044 CB ASP A 69 12.376 8.058 0.296 1.00 0.00 C ATOM 1045 CG ASP A 69 13.262 7.351 1.303 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.814 8.034 2.190 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.403 6.113 1.203 1.00 0.00 O ATOM 0 H ASP A 69 9.509 7.560 0.166 1.00 0.00 H new ATOM 0 HA ASP A 69 11.360 8.974 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.082 7.354 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.944 8.851 -0.190 1.00 0.00 H new ATOM 1052 N GLY A 70 9.956 10.778 0.818 1.00 0.00 N ATOM 1053 CA GLY A 70 9.464 11.974 0.159 1.00 0.00 C ATOM 1054 C GLY A 70 8.219 11.712 -0.664 1.00 0.00 C ATOM 1055 O GLY A 70 7.144 11.471 -0.116 1.00 0.00 O ATOM 0 H GLY A 70 9.719 10.706 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.247 12.735 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.245 12.376 -0.487 1.00 0.00 H new ATOM 1059 N ALA A 71 8.362 11.760 -1.985 1.00 0.00 N ATOM 1060 CA ALA A 71 7.240 11.526 -2.885 1.00 0.00 C ATOM 1061 C ALA A 71 7.407 10.211 -3.639 1.00 0.00 C ATOM 1062 O ALA A 71 6.898 10.052 -4.749 1.00 0.00 O ATOM 1063 CB ALA A 71 7.097 12.683 -3.862 1.00 0.00 C ATOM 0 H ALA A 71 9.245 11.959 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 71 6.332 11.458 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.255 12.495 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.923 13.606 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.010 12.778 -4.449 1.00 0.00 H new ATOM 1069 N ARG A 72 8.123 9.272 -3.031 1.00 0.00 N ATOM 1070 CA ARG A 72 8.359 7.971 -3.646 1.00 0.00 C ATOM 1071 C ARG A 72 8.107 6.844 -2.649 1.00 0.00 C ATOM 1072 O ARG A 72 8.871 6.657 -1.702 1.00 0.00 O ATOM 1073 CB ARG A 72 9.791 7.886 -4.177 1.00 0.00 C ATOM 1074 CG ARG A 72 9.910 8.200 -5.660 1.00 0.00 C ATOM 1075 CD ARG A 72 11.361 8.190 -6.116 1.00 0.00 C ATOM 1076 NE ARG A 72 11.625 7.122 -7.076 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.846 6.756 -7.451 1.00 0.00 C ATOM 1078 NH1 ARG A 72 13.909 7.370 -6.950 1.00 0.00 N ATOM 1079 NH2 ARG A 72 13.005 5.775 -8.330 1.00 0.00 N ATOM 0 H ARG A 72 8.550 9.387 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 72 7.663 7.859 -4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.419 8.578 -3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.179 6.884 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.342 7.469 -6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.470 9.176 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.606 9.152 -6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.012 8.069 -5.250 1.00 0.00 H new ATOM 0 HE ARG A 72 10.829 6.630 -7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.791 8.125 -6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.845 7.087 -7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.190 5.301 -8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.943 5.495 -8.617 1.00 0.00 H new ATOM 1093 N CYS A 73 7.031 6.096 -2.869 1.00 0.00 N ATOM 1094 CA CYS A 73 6.677 4.988 -1.989 1.00 0.00 C ATOM 1095 C CYS A 73 7.046 3.651 -2.624 1.00 0.00 C ATOM 1096 O CYS A 73 7.193 3.551 -3.841 1.00 0.00 O ATOM 1097 CB CYS A 73 5.182 5.020 -1.670 1.00 0.00 C ATOM 1098 SG CYS A 73 4.587 6.623 -1.081 1.00 0.00 S ATOM 0 H CYS A 73 6.389 6.237 -3.649 1.00 0.00 H new ATOM 0 HA CYS A 73 7.240 5.098 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.624 4.744 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.966 4.264 -0.915 1.00 0.00 H new ATOM 0 HG CYS A 73 3.534 6.971 -1.760 1.00 0.00 H new ATOM 1104 N GLU A 74 7.194 2.627 -1.789 1.00 0.00 N ATOM 1105 CA GLU A 74 7.548 1.296 -2.270 1.00 0.00 C ATOM 1106 C GLU A 74 7.125 0.226 -1.268 1.00 0.00 C ATOM 1107 O GLU A 74 7.440 0.312 -0.080 1.00 0.00 O ATOM 1108 CB GLU A 74 9.054 1.206 -2.524 1.00 0.00 C ATOM 1109 CG GLU A 74 9.469 1.689 -3.904 1.00 0.00 C ATOM 1110 CD GLU A 74 10.120 3.058 -3.872 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.062 3.249 -3.075 1.00 0.00 O ATOM 1112 OE2 GLU A 74 9.685 3.939 -4.643 1.00 0.00 O ATOM 0 H GLU A 74 7.075 2.693 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 74 7.018 1.122 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.577 1.794 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.374 0.171 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.162 0.971 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.593 1.723 -4.552 1.00 0.00 H new ATOM 1119 N LEU A 75 6.410 -0.782 -1.755 1.00 0.00 N ATOM 1120 CA LEU A 75 5.942 -1.870 -0.903 1.00 0.00 C ATOM 1121 C LEU A 75 6.539 -3.203 -1.346 1.00 0.00 C ATOM 1122 O LEU A 75 6.218 -3.711 -2.420 1.00 0.00 O ATOM 1123 CB LEU A 75 4.415 -1.947 -0.934 1.00 0.00 C ATOM 1124 CG LEU A 75 3.796 -3.224 -0.363 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.124 -3.362 1.115 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.290 -3.229 -0.579 1.00 0.00 C ATOM 0 H LEU A 75 6.142 -0.869 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 75 6.269 -1.667 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.017 -1.096 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.086 -1.838 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 75 4.222 -4.078 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.675 -4.276 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.205 -3.405 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.727 -2.504 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.866 -4.145 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.848 -2.367 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.075 -3.179 -1.646 1.00 0.00 H new ATOM 1138 N GLN A 76 7.406 -3.763 -0.509 1.00 0.00 N ATOM 1139 CA GLN A 76 8.046 -5.038 -0.814 1.00 0.00 C ATOM 1140 C GLN A 76 7.383 -6.177 -0.047 1.00 0.00 C ATOM 1141 O GLN A 76 6.930 -5.996 1.084 1.00 0.00 O ATOM 1142 CB GLN A 76 9.536 -4.978 -0.474 1.00 0.00 C ATOM 1143 CG GLN A 76 10.271 -6.284 -0.731 1.00 0.00 C ATOM 1144 CD GLN A 76 11.720 -6.071 -1.123 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.171 -6.550 -2.164 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.459 -5.348 -0.289 1.00 0.00 N ATOM 0 H GLN A 76 7.681 -3.355 0.384 1.00 0.00 H new ATOM 0 HA GLN A 76 7.931 -5.228 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.003 -4.186 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.650 -4.707 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.228 -6.903 0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.761 -6.834 -1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.044 -4.970 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.441 -5.171 -0.500 1.00 0.00 H new ATOM 1155 N ILE A 77 7.329 -7.350 -0.669 1.00 0.00 N ATOM 1156 CA ILE A 77 6.721 -8.518 -0.044 1.00 0.00 C ATOM 1157 C ILE A 77 7.549 -9.773 -0.303 1.00 0.00 C ATOM 1158 O ILE A 77 7.498 -10.350 -1.389 1.00 0.00 O ATOM 1159 CB ILE A 77 5.287 -8.749 -0.556 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.435 -7.498 -0.331 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.665 -9.952 0.136 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.109 -7.532 -1.057 1.00 0.00 C ATOM 0 H ILE A 77 7.699 -7.517 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 77 6.688 -8.321 1.028 1.00 0.00 H new ATOM 0 HB ILE A 77 5.327 -8.951 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.252 -7.380 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.996 -6.622 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.652 -10.102 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.263 -10.840 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.634 -9.777 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.558 -6.614 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.283 -7.619 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.528 -8.388 -0.714 1.00 0.00 H new ATOM 1174 N ARG A 78 8.311 -10.190 0.703 1.00 0.00 N ATOM 1175 CA ARG A 78 9.149 -11.377 0.585 1.00 0.00 C ATOM 1176 C ARG A 78 8.377 -12.630 0.986 1.00 0.00 C ATOM 1177 O ARG A 78 7.678 -12.644 1.998 1.00 0.00 O ATOM 1178 CB ARG A 78 10.398 -11.234 1.457 1.00 0.00 C ATOM 1179 CG ARG A 78 11.279 -10.057 1.070 1.00 0.00 C ATOM 1180 CD ARG A 78 12.512 -9.969 1.956 1.00 0.00 C ATOM 1181 NE ARG A 78 12.872 -8.586 2.256 1.00 0.00 N ATOM 1182 CZ ARG A 78 13.951 -8.241 2.950 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.771 -9.175 3.413 1.00 0.00 N ATOM 1184 NH2 ARG A 78 14.212 -6.961 3.182 1.00 0.00 N ATOM 0 H ARG A 78 8.365 -9.724 1.608 1.00 0.00 H new ATOM 0 HA ARG A 78 9.451 -11.475 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.094 -11.122 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.983 -12.152 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.584 -10.157 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.707 -9.132 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.329 -10.506 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.349 -10.463 1.463 1.00 0.00 H new ATOM 0 HE ARG A 78 12.261 -7.844 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.574 -10.160 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.599 -8.908 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.584 -6.240 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.041 -6.698 3.715 1.00 0.00 H new ATOM 1198 N GLY A 79 8.509 -13.683 0.185 1.00 0.00 N ATOM 1199 CA GLY A 79 7.818 -14.926 0.473 1.00 0.00 C ATOM 1200 C GLY A 79 6.481 -15.023 -0.234 1.00 0.00 C ATOM 1201 O GLY A 79 5.469 -15.367 0.379 1.00 0.00 O ATOM 0 H GLY A 79 9.082 -13.697 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.446 -15.765 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.664 -15.012 1.549 1.00 0.00 H new ATOM 1205 N LEU A 80 6.473 -14.718 -1.527 1.00 0.00 N ATOM 1206 CA LEU A 80 5.249 -14.770 -2.319 1.00 0.00 C ATOM 1207 C LEU A 80 4.579 -16.135 -2.196 1.00 0.00 C ATOM 1208 O LEU A 80 5.181 -17.092 -1.709 1.00 0.00 O ATOM 1209 CB LEU A 80 5.555 -14.470 -3.787 1.00 0.00 C ATOM 1210 CG LEU A 80 5.667 -12.991 -4.161 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.129 -12.838 -5.602 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.337 -12.285 -3.947 1.00 0.00 C ATOM 0 H LEU A 80 7.301 -14.432 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 80 4.564 -14.014 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.491 -14.963 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.774 -14.921 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 80 6.410 -12.527 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.203 -11.779 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.105 -13.308 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.411 -13.317 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.435 -11.234 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.574 -12.751 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.048 -12.364 -2.899 1.00 0.00 H new ATOM 1224 N VAL A 81 3.330 -16.218 -2.643 1.00 0.00 N ATOM 1225 CA VAL A 81 2.579 -17.467 -2.586 1.00 0.00 C ATOM 1226 C VAL A 81 1.366 -17.421 -3.507 1.00 0.00 C ATOM 1227 O VAL A 81 1.375 -18.003 -4.591 1.00 0.00 O ATOM 1228 CB VAL A 81 2.109 -17.774 -1.152 1.00 0.00 C ATOM 1229 CG1 VAL A 81 3.008 -18.819 -0.508 1.00 0.00 C ATOM 1230 CG2 VAL A 81 2.075 -16.502 -0.318 1.00 0.00 C ATOM 0 H VAL A 81 2.817 -15.435 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 81 3.253 -18.257 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 81 1.098 -18.178 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.661 -19.023 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.977 -19.737 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.032 -18.446 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.741 -16.738 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.074 -16.067 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.386 -15.788 -0.771 1.00 0.00 H new ATOM 1240 N ALA A 82 0.323 -16.723 -3.069 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.898 -16.599 -3.856 1.00 0.00 C ATOM 1242 C ALA A 82 -1.936 -15.752 -3.128 1.00 0.00 C ATOM 1243 O ALA A 82 -2.705 -15.023 -3.754 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.464 -17.975 -4.173 1.00 0.00 C ATOM 0 H ALA A 82 0.299 -16.235 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.649 -16.097 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.375 -17.867 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.731 -18.548 -4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.691 -18.498 -3.244 1.00 0.00 H new ATOM 1250 N GLU A 83 -1.953 -15.854 -1.802 1.00 0.00 N ATOM 1251 CA GLU A 83 -2.899 -15.098 -0.990 1.00 0.00 C ATOM 1252 C GLU A 83 -2.623 -13.601 -1.086 1.00 0.00 C ATOM 1253 O GLU A 83 -3.532 -12.781 -0.956 1.00 0.00 O ATOM 1254 CB GLU A 83 -2.825 -15.549 0.470 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.905 -16.546 0.854 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.301 -15.961 0.758 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.417 -14.742 0.515 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -6.277 -16.722 0.925 1.00 0.00 O ATOM 0 H GLU A 83 -1.323 -16.452 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.902 -15.290 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.848 -15.995 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.903 -14.675 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.836 -17.419 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.729 -16.892 1.873 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.361 -13.251 -1.313 1.00 0.00 N ATOM 1266 CA ASP A 84 -0.964 -11.853 -1.427 1.00 0.00 C ATOM 1267 C ASP A 84 -1.465 -11.250 -2.736 1.00 0.00 C ATOM 1268 O ASP A 84 -1.690 -10.044 -2.830 1.00 0.00 O ATOM 1269 CB ASP A 84 0.557 -11.724 -1.341 1.00 0.00 C ATOM 1270 CG ASP A 84 1.021 -11.225 0.013 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.258 -12.066 0.905 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.145 -9.994 0.182 1.00 0.00 O ATOM 0 H ASP A 84 -0.596 -13.917 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.415 -11.305 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.013 -12.693 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.905 -11.040 -2.115 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.636 -12.099 -3.745 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.110 -11.650 -5.048 1.00 0.00 C ATOM 1279 C ALA A 85 -3.529 -11.098 -4.956 1.00 0.00 C ATOM 1280 O ALA A 85 -4.326 -11.542 -4.130 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.051 -12.792 -6.053 1.00 0.00 C ATOM 0 H ALA A 85 -1.453 -13.101 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.456 -10.846 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.408 -12.443 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.022 -13.140 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.681 -13.613 -5.709 1.00 0.00 H new ATOM 1287 N GLY A 86 -3.838 -10.126 -5.809 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.160 -9.529 -5.805 1.00 0.00 C ATOM 1289 C GLY A 86 -5.156 -8.108 -6.334 1.00 0.00 C ATOM 1290 O GLY A 86 -4.584 -7.833 -7.388 1.00 0.00 O ATOM 0 H GLY A 86 -3.196 -9.742 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.832 -10.137 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.555 -9.534 -4.789 1.00 0.00 H new ATOM 1294 N GLU A 87 -5.797 -7.204 -5.600 1.00 0.00 N ATOM 1295 CA GLU A 87 -5.866 -5.804 -6.003 1.00 0.00 C ATOM 1296 C GLU A 87 -5.347 -4.892 -4.894 1.00 0.00 C ATOM 1297 O GLU A 87 -5.956 -4.782 -3.830 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.304 -5.423 -6.359 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.493 -3.940 -6.628 1.00 0.00 C ATOM 1300 CD GLU A 87 -8.832 -3.629 -7.268 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.351 -4.492 -8.006 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.361 -2.523 -7.030 1.00 0.00 O ATOM 0 H GLU A 87 -6.275 -7.415 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.235 -5.674 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.612 -5.985 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.962 -5.722 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.406 -3.391 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.693 -3.588 -7.279 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.217 -4.242 -5.152 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.614 -3.342 -4.176 1.00 0.00 C ATOM 1311 C TYR A 88 -4.092 -1.909 -4.388 1.00 0.00 C ATOM 1312 O TYR A 88 -4.489 -1.531 -5.491 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.088 -3.403 -4.271 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.486 -4.607 -3.583 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.579 -5.873 -4.148 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.825 -4.479 -2.368 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.031 -6.976 -3.523 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.272 -5.576 -1.736 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.378 -6.822 -2.317 1.00 0.00 C ATOM 1320 OH TYR A 88 0.170 -7.918 -1.691 1.00 0.00 O ATOM 0 H TYR A 88 -3.701 -4.322 -6.028 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.923 -3.665 -3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.798 -3.413 -5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.669 -2.497 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.089 -5.997 -5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.742 -3.505 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.113 -7.953 -3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.240 -5.458 -0.793 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.323 -8.724 -1.951 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.049 -1.115 -3.324 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.476 0.278 -3.392 1.00 0.00 C ATOM 1332 C LEU A 89 -3.452 1.195 -2.731 1.00 0.00 C ATOM 1333 O LEU A 89 -2.557 0.733 -2.021 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.839 0.447 -2.718 1.00 0.00 C ATOM 1335 CG LEU A 89 -6.956 1.014 -3.595 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.199 0.141 -3.506 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.278 2.445 -3.191 1.00 0.00 C ATOM 0 H LEU A 89 -3.723 -1.412 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.560 0.556 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.158 -0.525 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.716 1.100 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.612 1.019 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.984 0.560 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.961 -0.867 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.545 0.104 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.075 2.832 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.601 2.465 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.389 3.065 -3.307 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.590 2.495 -2.966 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.677 3.477 -2.392 1.00 0.00 C ATOM 1351 C CYS A 90 -3.298 4.870 -2.406 1.00 0.00 C ATOM 1352 O CYS A 90 -3.206 5.591 -3.399 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.356 3.486 -3.161 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.043 4.438 -2.361 1.00 0.00 S ATOM 0 H CYS A 90 -4.325 2.894 -3.550 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.484 3.196 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.017 2.458 -3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.530 3.893 -4.157 1.00 0.00 H new ATOM 0 HG CYS A 90 0.966 4.553 -3.173 1.00 0.00 H new ATOM 1360 N MET A 91 -3.932 5.241 -1.299 1.00 0.00 N ATOM 1361 CA MET A 91 -4.569 6.548 -1.185 1.00 0.00 C ATOM 1362 C MET A 91 -3.655 7.538 -0.469 1.00 0.00 C ATOM 1363 O MET A 91 -3.095 7.230 0.584 1.00 0.00 O ATOM 1364 CB MET A 91 -5.897 6.428 -0.435 1.00 0.00 C ATOM 1365 CG MET A 91 -6.795 5.320 -0.962 1.00 0.00 C ATOM 1366 SD MET A 91 -8.433 5.337 -0.210 1.00 0.00 S ATOM 1367 CE MET A 91 -8.331 3.899 0.854 1.00 0.00 C ATOM 0 H MET A 91 -4.019 4.656 -0.468 1.00 0.00 H new ATOM 0 HA MET A 91 -4.761 6.920 -2.191 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.694 6.248 0.621 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.429 7.377 -0.500 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.895 5.421 -2.043 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.323 4.355 -0.775 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.334 3.595 1.153 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.849 3.082 0.316 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.747 4.144 1.741 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.509 8.725 -1.045 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.662 9.760 -0.462 1.00 0.00 C ATOM 1379 C CYS A 92 -3.396 11.096 -0.406 1.00 0.00 C ATOM 1380 O CYS A 92 -3.400 11.854 -1.374 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.371 9.906 -1.270 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.215 11.123 -0.598 1.00 0.00 S ATOM 0 H CYS A 92 -3.966 8.996 -1.916 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.413 9.461 0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -0.874 8.937 -1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.624 10.187 -2.292 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.873 12.027 0.065 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.017 11.376 0.736 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.747 12.620 0.897 1.00 0.00 C ATOM 1390 C GLY A 93 -6.149 12.547 0.326 1.00 0.00 C ATOM 1391 O GLY A 93 -7.124 12.411 1.066 1.00 0.00 O ATOM 0 H GLY A 93 -4.028 10.764 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.802 12.871 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.200 13.425 0.407 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.254 12.639 -0.996 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.547 12.584 -1.667 1.00 0.00 C ATOM 1397 C LYS A 94 -7.519 11.585 -2.820 1.00 0.00 C ATOM 1398 O LYS A 94 -8.339 10.670 -2.879 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.934 13.969 -2.189 1.00 0.00 C ATOM 1400 CG LYS A 94 -8.930 14.697 -1.303 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.272 14.867 -1.995 1.00 0.00 C ATOM 1402 CE LYS A 94 -11.408 14.980 -0.990 1.00 0.00 C ATOM 1403 NZ LYS A 94 -12.700 15.318 -1.649 1.00 0.00 N ATOM 0 H LYS A 94 -5.458 12.752 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.291 12.255 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.034 14.576 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.357 13.866 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.066 14.142 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.532 15.675 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.249 15.759 -2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.452 14.019 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.511 14.038 -0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.166 15.745 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.449 15.386 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.610 16.229 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.945 14.575 -2.335 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.568 11.766 -3.731 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.435 10.879 -4.881 1.00 0.00 C ATOM 1419 C GLU A 95 -6.250 9.432 -4.433 1.00 0.00 C ATOM 1420 O GLU A 95 -6.008 9.161 -3.257 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.252 11.311 -5.751 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.620 12.326 -6.820 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.165 11.677 -8.077 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -6.164 10.430 -8.151 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -6.593 12.416 -8.988 1.00 0.00 O ATOM 0 H GLU A 95 -5.879 12.518 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.351 10.945 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.477 11.734 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.824 10.431 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.363 13.016 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.740 12.917 -7.073 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.367 8.507 -5.380 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.215 7.087 -5.084 1.00 0.00 C ATOM 1434 C ARG A 96 -6.022 6.282 -6.365 1.00 0.00 C ATOM 1435 O ARG A 96 -6.594 6.604 -7.407 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.437 6.570 -4.323 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.758 6.890 -5.002 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.899 6.075 -4.413 1.00 0.00 C ATOM 1439 NE ARG A 96 -11.088 6.889 -4.178 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.944 7.234 -5.134 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.742 6.837 -6.383 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -13.003 7.977 -4.842 1.00 0.00 N ATOM 0 H ARG A 96 -6.566 8.715 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.329 6.964 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.351 5.490 -4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.439 7.000 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.975 7.953 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.678 6.687 -6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.147 5.257 -5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.576 5.625 -3.474 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.272 7.211 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.928 6.266 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.400 7.103 -7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.161 8.284 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.659 8.241 -5.577 1.00 0.00 H new ATOM 1456 N THR A 97 -5.210 5.232 -6.282 1.00 0.00 N ATOM 1457 CA THR A 97 -4.940 4.382 -7.434 1.00 0.00 C ATOM 1458 C THR A 97 -4.812 2.920 -7.021 1.00 0.00 C ATOM 1459 O THR A 97 -4.081 2.591 -6.087 1.00 0.00 O ATOM 1460 CB THR A 97 -3.652 4.812 -8.161 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.412 3.955 -9.282 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.459 4.769 -7.218 1.00 0.00 C ATOM 0 H THR A 97 -4.728 4.951 -5.428 1.00 0.00 H new ATOM 0 HA THR A 97 -5.786 4.493 -8.113 1.00 0.00 H new ATOM 0 HB THR A 97 -3.783 5.836 -8.510 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.592 4.237 -9.739 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.561 5.077 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.632 5.446 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.328 3.754 -6.843 1.00 0.00 H new ATOM 1470 N SER A 98 -5.528 2.047 -7.723 1.00 0.00 N ATOM 1471 CA SER A 98 -5.497 0.619 -7.426 1.00 0.00 C ATOM 1472 C SER A 98 -4.876 -0.162 -8.580 1.00 0.00 C ATOM 1473 O SER A 98 -5.075 0.172 -9.748 1.00 0.00 O ATOM 1474 CB SER A 98 -6.910 0.104 -7.148 1.00 0.00 C ATOM 1475 OG SER A 98 -7.648 -0.035 -8.349 1.00 0.00 O ATOM 0 H SER A 98 -6.136 2.303 -8.501 1.00 0.00 H new ATOM 0 HA SER A 98 -4.883 0.470 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.856 -0.858 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.426 0.792 -6.478 1.00 0.00 H new ATOM 0 HG SER A 98 -8.306 -0.754 -8.247 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.124 -1.204 -8.244 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.475 -2.035 -9.251 1.00 0.00 C ATOM 1483 C ALA A 99 -3.763 -3.513 -9.011 1.00 0.00 C ATOM 1484 O ALA A 99 -4.223 -3.899 -7.937 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.975 -1.781 -9.258 1.00 0.00 C ATOM 0 H ALA A 99 -3.949 -1.493 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.882 -1.766 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.503 -2.408 -10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.785 -0.732 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.561 -2.020 -8.279 1.00 0.00 H new ATOM 1491 N MET A 100 -3.488 -4.336 -10.018 1.00 0.00 N ATOM 1492 CA MET A 100 -3.717 -5.772 -9.916 1.00 0.00 C ATOM 1493 C MET A 100 -2.397 -6.536 -9.937 1.00 0.00 C ATOM 1494 O MET A 100 -1.625 -6.434 -10.891 1.00 0.00 O ATOM 1495 CB MET A 100 -4.615 -6.250 -11.059 1.00 0.00 C ATOM 1496 CG MET A 100 -6.096 -6.013 -10.808 1.00 0.00 C ATOM 1497 SD MET A 100 -7.076 -7.518 -10.965 1.00 0.00 S ATOM 1498 CE MET A 100 -6.475 -8.462 -9.567 1.00 0.00 C ATOM 0 H MET A 100 -3.106 -4.032 -10.914 1.00 0.00 H new ATOM 0 HA MET A 100 -4.215 -5.968 -8.966 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.324 -5.739 -11.977 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.448 -7.315 -11.220 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.230 -5.600 -9.808 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.465 -5.268 -11.513 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.895 -9.467 -9.600 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.387 -8.521 -9.608 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.777 -7.973 -8.641 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.144 -7.301 -8.881 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.917 -8.083 -8.779 1.00 0.00 C ATOM 1510 C LEU A 101 -1.195 -9.566 -9.004 1.00 0.00 C ATOM 1511 O LEU A 101 -1.930 -10.194 -8.241 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.270 -7.876 -7.408 1.00 0.00 C ATOM 1513 CG LEU A 101 1.067 -8.582 -7.184 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.179 -7.874 -7.942 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.392 -8.651 -5.699 1.00 0.00 C ATOM 0 H LEU A 101 -2.772 -7.396 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.231 -7.740 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.124 -6.807 -7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.969 -8.214 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 101 0.986 -9.600 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.123 -8.391 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.952 -7.878 -9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.260 -6.845 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.347 -9.157 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.453 -7.641 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.609 -9.204 -5.180 1.00 0.00 H new ATOM 1527 N THR A 102 -0.601 -10.121 -10.056 1.00 0.00 N ATOM 1528 CA THR A 102 -0.784 -11.530 -10.381 1.00 0.00 C ATOM 1529 C THR A 102 0.390 -12.365 -9.884 1.00 0.00 C ATOM 1530 O THR A 102 1.550 -12.002 -10.079 1.00 0.00 O ATOM 1531 CB THR A 102 -0.942 -11.740 -11.899 1.00 0.00 C ATOM 1532 OG1 THR A 102 -2.014 -10.931 -12.396 1.00 0.00 O ATOM 1533 CG2 THR A 102 -1.214 -13.202 -12.217 1.00 0.00 C ATOM 0 H THR A 102 0.011 -9.616 -10.697 1.00 0.00 H new ATOM 0 HA THR A 102 -1.696 -11.855 -9.880 1.00 0.00 H new ATOM 0 HB THR A 102 -0.011 -11.446 -12.383 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.107 -11.069 -13.362 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.322 -13.326 -13.295 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.383 -13.812 -11.863 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.132 -13.517 -11.722 1.00 0.00 H new ATOM 1541 N VAL A 103 0.082 -13.488 -9.242 1.00 0.00 N ATOM 1542 CA VAL A 103 1.112 -14.376 -8.718 1.00 0.00 C ATOM 1543 C VAL A 103 0.994 -15.771 -9.323 1.00 0.00 C ATOM 1544 O VAL A 103 0.081 -16.527 -8.991 1.00 0.00 O ATOM 1545 CB VAL A 103 1.032 -14.486 -7.184 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.098 -15.437 -6.660 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.170 -13.112 -6.544 1.00 0.00 C ATOM 0 H VAL A 103 -0.873 -13.804 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 103 2.073 -13.943 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 103 0.056 -14.890 -6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.026 -15.502 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.948 -16.426 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.085 -15.065 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.111 -13.208 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.131 -12.678 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.366 -12.465 -6.895 1.00 0.00 H new ATOM 1557 N ARG A 104 1.924 -16.105 -10.212 1.00 0.00 N ATOM 1558 CA ARG A 104 1.924 -17.409 -10.864 1.00 0.00 C ATOM 1559 C ARG A 104 2.314 -18.509 -9.880 1.00 0.00 C ATOM 1560 O ARG A 104 2.598 -18.240 -8.714 1.00 0.00 O ATOM 1561 CB ARG A 104 2.886 -17.409 -12.053 1.00 0.00 C ATOM 1562 CG ARG A 104 2.645 -16.271 -13.031 1.00 0.00 C ATOM 1563 CD ARG A 104 2.379 -16.790 -14.435 1.00 0.00 C ATOM 1564 NE ARG A 104 3.477 -17.615 -14.931 1.00 0.00 N ATOM 1565 CZ ARG A 104 4.598 -17.118 -15.441 1.00 0.00 C ATOM 1566 NH1 ARG A 104 4.768 -15.805 -15.521 1.00 0.00 N ATOM 1567 NH2 ARG A 104 5.552 -17.933 -15.871 1.00 0.00 N ATOM 0 H ARG A 104 2.687 -15.491 -10.497 1.00 0.00 H new ATOM 0 HA ARG A 104 0.914 -17.607 -11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.909 -17.347 -11.682 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.796 -18.357 -12.583 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.796 -15.675 -12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.513 -15.611 -13.044 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.458 -17.373 -14.437 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.225 -15.948 -15.110 1.00 0.00 H new ATOM 0 HE ARG A 104 3.378 -18.629 -14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.037 -15.175 -15.190 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.630 -15.425 -15.913 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.425 -18.943 -15.810 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.412 -17.549 -16.262 1.00 0.00 H new ATOM 1581 N ALA A 105 2.324 -19.748 -10.360 1.00 0.00 N ATOM 1582 CA ALA A 105 2.680 -20.888 -9.524 1.00 0.00 C ATOM 1583 C ALA A 105 4.048 -21.443 -9.907 1.00 0.00 C ATOM 1584 O ALA A 105 4.438 -21.410 -11.073 1.00 0.00 O ATOM 1585 CB ALA A 105 1.619 -21.973 -9.632 1.00 0.00 C ATOM 0 H ALA A 105 2.090 -19.988 -11.323 1.00 0.00 H new ATOM 0 HA ALA A 105 2.732 -20.547 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.898 -22.818 -9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.658 -21.577 -9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.540 -22.303 -10.668 1.00 0.00 H new ATOM 1591 N MET A 106 4.773 -21.952 -8.916 1.00 0.00 N ATOM 1592 CA MET A 106 6.098 -22.515 -9.150 1.00 0.00 C ATOM 1593 C MET A 106 6.045 -23.606 -10.215 1.00 0.00 C ATOM 1594 O MET A 106 4.990 -24.166 -10.512 1.00 0.00 O ATOM 1595 CB MET A 106 6.671 -23.082 -7.850 1.00 0.00 C ATOM 1596 CG MET A 106 7.732 -22.197 -7.216 1.00 0.00 C ATOM 1597 SD MET A 106 8.729 -23.073 -5.995 1.00 0.00 S ATOM 1598 CE MET A 106 10.187 -22.035 -5.941 1.00 0.00 C ATOM 0 H MET A 106 4.466 -21.986 -7.944 1.00 0.00 H new ATOM 0 HA MET A 106 6.748 -21.716 -9.507 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.859 -23.228 -7.138 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.100 -24.064 -8.050 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.384 -21.802 -7.996 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.250 -21.343 -6.740 1.00 0.00 H new ATOM 0 HE1 MET A 106 10.901 -22.447 -5.228 1.00 0.00 H new ATOM 0 HE2 MET A 106 10.643 -21.997 -6.930 1.00 0.00 H new ATOM 0 HE3 MET A 106 9.906 -21.028 -5.632 1.00 0.00 H new ATOM 1608 N PRO A 107 7.209 -23.915 -10.805 1.00 0.00 N ATOM 1609 CA PRO A 107 7.321 -24.941 -11.846 1.00 0.00 C ATOM 1610 C PRO A 107 7.113 -26.348 -11.298 1.00 0.00 C ATOM 1611 O PRO A 107 7.523 -26.656 -10.179 1.00 0.00 O ATOM 1612 CB PRO A 107 8.754 -24.772 -12.358 1.00 0.00 C ATOM 1613 CG PRO A 107 9.495 -24.166 -11.216 1.00 0.00 C ATOM 1614 CD PRO A 107 8.506 -23.287 -10.501 1.00 0.00 C ATOM 0 HA PRO A 107 6.561 -24.822 -12.619 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.187 -25.730 -12.647 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.787 -24.129 -13.237 1.00 0.00 H new ATOM 0 HG2 PRO A 107 9.885 -24.936 -10.551 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.349 -23.587 -11.568 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.697 -23.258 -9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 107 8.549 -22.259 -10.861 1.00 0.00 H new