USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 41 GLN : amide:sc= -4.36! C(o=-7.2!,f=-7.2!) USER MOD Set 1.2: A 45 ASN : amide:sc= -2.86! K(o=-7.2!,f=-4.7) USER MOD Single : A 17 THR OG1 : rot -47:sc= 0.427 USER MOD Single : A 18 GLN : amide:sc= -0.664 K(o=-0.66,f=-4.2!) USER MOD Single : A 22 MET CE :methyl 179:sc= -6.19! (180deg=-6.2!) USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= 0.0685 (180deg=-0.032) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.615 K(o=-0.61,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 165:sc= -1.54 USER MOD Single : A 65 MET CE :methyl 138:sc= -1.46 (180deg=-3.65!) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 2.555 10.802 -2.934 1.00 0.00 N ATOM 262 CA THR A 17 3.789 10.621 -3.679 1.00 0.00 C ATOM 263 C THR A 17 4.293 9.183 -3.535 1.00 0.00 C ATOM 264 O THR A 17 3.952 8.496 -2.574 1.00 0.00 O ATOM 265 CB THR A 17 4.793 11.668 -3.193 1.00 0.00 C ATOM 266 OG1 THR A 17 4.635 11.670 -1.777 1.00 0.00 O ATOM 267 CG2 THR A 17 4.408 13.088 -3.613 1.00 0.00 C ATOM 0 HA THR A 17 3.632 10.772 -4.747 1.00 0.00 H new ATOM 0 HB THR A 17 5.783 11.430 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.682 11.711 -1.554 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.153 13.792 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.363 13.146 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.433 13.339 -3.195 1.00 0.00 H new ATOM 275 N GLN A 18 5.097 8.772 -4.504 1.00 0.00 N ATOM 276 CA GLN A 18 5.651 7.428 -4.498 1.00 0.00 C ATOM 277 C GLN A 18 6.391 7.166 -3.184 1.00 0.00 C ATOM 278 O GLN A 18 6.422 6.036 -2.700 1.00 0.00 O ATOM 279 CB GLN A 18 6.572 7.209 -5.699 1.00 0.00 C ATOM 280 CG GLN A 18 7.807 8.107 -5.615 1.00 0.00 C ATOM 281 CD GLN A 18 8.994 7.352 -5.014 1.00 0.00 C ATOM 282 OE1 GLN A 18 9.385 7.561 -3.877 1.00 0.00 O ATOM 283 NE2 GLN A 18 9.544 6.465 -5.838 1.00 0.00 N ATOM 0 H GLN A 18 5.378 9.346 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 18 4.829 6.716 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.880 6.164 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.029 7.417 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.067 8.468 -6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.583 8.983 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.167 6.340 -6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.343 5.910 -5.530 1.00 0.00 H new ATOM 292 N GLY A 19 6.969 8.230 -2.646 1.00 0.00 N ATOM 293 CA GLY A 19 7.708 8.129 -1.398 1.00 0.00 C ATOM 294 C GLY A 19 6.761 7.903 -0.218 1.00 0.00 C ATOM 295 O GLY A 19 7.083 7.158 0.707 1.00 0.00 O ATOM 0 H GLY A 19 6.941 9.166 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.422 7.307 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.284 9.040 -1.237 1.00 0.00 H new ATOM 299 N GLU A 20 5.612 8.559 -0.288 1.00 0.00 N ATOM 300 CA GLU A 20 4.616 8.439 0.764 1.00 0.00 C ATOM 301 C GLU A 20 4.051 7.017 0.800 1.00 0.00 C ATOM 302 O GLU A 20 3.814 6.467 1.874 1.00 0.00 O ATOM 303 CB GLU A 20 3.499 9.468 0.581 1.00 0.00 C ATOM 304 CG GLU A 20 3.514 10.499 1.711 1.00 0.00 C ATOM 305 CD GLU A 20 2.843 9.944 2.969 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.807 9.265 2.807 1.00 0.00 O ATOM 307 OE2 GLU A 20 3.383 10.211 4.065 1.00 0.00 O ATOM 0 H GLU A 20 5.348 9.175 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 20 5.099 8.642 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.618 9.972 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.534 8.962 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.542 10.781 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.999 11.404 1.389 1.00 0.00 H new ATOM 314 N LEU A 21 3.852 6.464 -0.388 1.00 0.00 N ATOM 315 CA LEU A 21 3.319 5.117 -0.505 1.00 0.00 C ATOM 316 C LEU A 21 4.277 4.133 0.169 1.00 0.00 C ATOM 317 O LEU A 21 3.842 3.194 0.833 1.00 0.00 O ATOM 318 CB LEU A 21 3.025 4.783 -1.969 1.00 0.00 C ATOM 319 CG LEU A 21 1.850 3.835 -2.218 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.857 2.679 -1.217 1.00 0.00 C ATOM 321 CD2 LEU A 21 0.522 4.595 -2.208 1.00 0.00 C ATOM 0 H LEU A 21 4.050 6.924 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 21 2.364 5.039 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.834 5.714 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.921 4.343 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 21 1.965 3.401 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.012 2.020 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.786 2.117 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.778 3.074 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.297 3.899 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.385 5.075 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.531 5.354 -2.991 1.00 0.00 H new ATOM 333 N MET A 22 5.564 4.383 -0.024 1.00 0.00 N ATOM 334 CA MET A 22 6.587 3.531 0.558 1.00 0.00 C ATOM 335 C MET A 22 6.353 3.339 2.057 1.00 0.00 C ATOM 336 O MET A 22 6.139 2.219 2.517 1.00 0.00 O ATOM 337 CB MET A 22 7.964 4.160 0.332 1.00 0.00 C ATOM 338 CG MET A 22 9.069 3.289 0.933 1.00 0.00 C ATOM 339 SD MET A 22 8.832 1.585 0.456 1.00 0.00 S ATOM 340 CE MET A 22 8.973 1.737 -1.317 1.00 0.00 C ATOM 0 H MET A 22 5.921 5.163 -0.575 1.00 0.00 H new ATOM 0 HA MET A 22 6.539 2.555 0.074 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.138 4.289 -0.736 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.993 5.152 0.782 1.00 0.00 H new ATOM 0 HG2 MET A 22 10.044 3.638 0.593 1.00 0.00 H new ATOM 0 HG3 MET A 22 9.061 3.375 2.020 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.867 0.754 -1.776 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.190 2.398 -1.689 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.949 2.152 -1.570 1.00 0.00 H new ATOM 350 N LYS A 23 6.402 4.450 2.778 1.00 0.00 N ATOM 351 CA LYS A 23 6.198 4.418 4.217 1.00 0.00 C ATOM 352 C LYS A 23 4.790 3.900 4.516 1.00 0.00 C ATOM 353 O LYS A 23 4.553 3.308 5.569 1.00 0.00 O ATOM 354 CB LYS A 23 6.493 5.788 4.830 1.00 0.00 C ATOM 355 CG LYS A 23 6.657 5.685 6.348 1.00 0.00 C ATOM 356 CD LYS A 23 7.347 6.929 6.910 1.00 0.00 C ATOM 357 CE LYS A 23 6.351 7.820 7.655 1.00 0.00 C ATOM 358 NZ LYS A 23 5.333 8.352 6.721 1.00 0.00 N ATOM 0 H LYS A 23 6.580 5.378 2.393 1.00 0.00 H new ATOM 0 HA LYS A 23 6.898 3.727 4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.401 6.200 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.683 6.478 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.680 5.564 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.241 4.798 6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.149 6.630 7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.807 7.492 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.865 7.249 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.879 8.644 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.118 9.339 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.699 8.310 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.466 7.781 6.790 1.00 0.00 H new ATOM 372 N LEU A 24 3.892 4.141 3.573 1.00 0.00 N ATOM 373 CA LEU A 24 2.513 3.707 3.723 1.00 0.00 C ATOM 374 C LEU A 24 2.462 2.178 3.719 1.00 0.00 C ATOM 375 O LEU A 24 1.779 1.574 4.545 1.00 0.00 O ATOM 376 CB LEU A 24 1.628 4.354 2.656 1.00 0.00 C ATOM 377 CG LEU A 24 0.513 5.265 3.172 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.048 6.235 2.084 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.646 4.445 3.742 1.00 0.00 C ATOM 0 H LEU A 24 4.092 4.632 2.701 1.00 0.00 H new ATOM 0 HA LEU A 24 2.111 4.038 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.264 4.934 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.176 3.562 2.058 1.00 0.00 H new ATOM 0 HG LEU A 24 0.914 5.866 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.745 6.871 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.886 6.855 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.329 5.671 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.425 5.117 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.054 3.801 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.286 3.832 4.568 1.00 0.00 H new ATOM 391 N ILE A 25 3.193 1.595 2.780 1.00 0.00 N ATOM 392 CA ILE A 25 3.239 0.148 2.658 1.00 0.00 C ATOM 393 C ILE A 25 3.967 -0.439 3.869 1.00 0.00 C ATOM 394 O ILE A 25 3.502 -1.408 4.467 1.00 0.00 O ATOM 395 CB ILE A 25 3.853 -0.257 1.316 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.800 -0.251 0.206 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.564 -1.608 1.424 1.00 0.00 C ATOM 398 CD1 ILE A 25 3.407 -0.688 -1.128 1.00 0.00 C ATOM 0 H ILE A 25 3.758 2.099 2.097 1.00 0.00 H new ATOM 0 HA ILE A 25 2.231 -0.267 2.660 1.00 0.00 H new ATOM 0 HB ILE A 25 4.607 0.484 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.981 -0.919 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.377 0.749 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.991 -1.873 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.359 -1.542 2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.848 -2.373 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.637 -0.675 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.209 -0.004 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.808 -1.697 -1.032 1.00 0.00 H new ATOM 410 N LYS A 26 5.095 0.174 4.195 1.00 0.00 N ATOM 411 CA LYS A 26 5.891 -0.276 5.324 1.00 0.00 C ATOM 412 C LYS A 26 5.094 -0.081 6.615 1.00 0.00 C ATOM 413 O LYS A 26 5.221 -0.867 7.553 1.00 0.00 O ATOM 414 CB LYS A 26 7.253 0.421 5.332 1.00 0.00 C ATOM 415 CG LYS A 26 7.697 0.743 6.760 1.00 0.00 C ATOM 416 CD LYS A 26 9.221 0.856 6.848 1.00 0.00 C ATOM 417 CE LYS A 26 9.632 2.015 7.758 1.00 0.00 C ATOM 418 NZ LYS A 26 10.290 1.505 8.982 1.00 0.00 N ATOM 0 H LYS A 26 5.477 0.978 3.697 1.00 0.00 H new ATOM 0 HA LYS A 26 6.104 -1.341 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.995 -0.217 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.198 1.340 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.240 1.678 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.347 -0.035 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.637 -0.076 7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.636 1.006 5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.310 2.681 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.754 2.602 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.563 2.305 9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.632 0.887 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.139 0.964 8.720 1.00 0.00 H new ATOM 432 N GLU A 27 4.289 0.972 6.622 1.00 0.00 N ATOM 433 CA GLU A 27 3.471 1.281 7.783 1.00 0.00 C ATOM 434 C GLU A 27 2.576 0.090 8.133 1.00 0.00 C ATOM 435 O GLU A 27 2.383 -0.222 9.307 1.00 0.00 O ATOM 436 CB GLU A 27 2.637 2.542 7.546 1.00 0.00 C ATOM 437 CG GLU A 27 3.188 3.722 8.349 1.00 0.00 C ATOM 438 CD GLU A 27 2.993 5.038 7.593 1.00 0.00 C ATOM 439 OE1 GLU A 27 2.150 5.043 6.670 1.00 0.00 O ATOM 440 OE2 GLU A 27 3.691 6.009 7.955 1.00 0.00 O ATOM 0 H GLU A 27 4.186 1.622 5.842 1.00 0.00 H new ATOM 0 HA GLU A 27 4.132 1.475 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.637 2.788 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.601 2.356 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.686 3.775 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.248 3.567 8.549 1.00 0.00 H new ATOM 447 N ILE A 28 2.053 -0.543 7.093 1.00 0.00 N ATOM 448 CA ILE A 28 1.184 -1.693 7.276 1.00 0.00 C ATOM 449 C ILE A 28 1.999 -2.858 7.841 1.00 0.00 C ATOM 450 O ILE A 28 1.512 -3.610 8.684 1.00 0.00 O ATOM 451 CB ILE A 28 0.454 -2.026 5.973 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.776 -1.135 5.790 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.100 -3.513 5.908 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.709 -0.373 4.465 1.00 0.00 C ATOM 0 H ILE A 28 2.214 -0.281 6.121 1.00 0.00 H new ATOM 0 HA ILE A 28 0.403 -1.469 8.003 1.00 0.00 H new ATOM 0 HB ILE A 28 1.128 -1.819 5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.679 -1.745 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.844 -0.428 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.418 -3.723 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.013 -4.107 5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.547 -3.770 6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.595 0.253 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.182 0.255 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.666 -1.083 3.639 1.00 0.00 H new ATOM 466 N VAL A 29 3.225 -2.972 7.353 1.00 0.00 N ATOM 467 CA VAL A 29 4.112 -4.033 7.798 1.00 0.00 C ATOM 468 C VAL A 29 4.788 -3.613 9.104 1.00 0.00 C ATOM 469 O VAL A 29 5.582 -4.365 9.667 1.00 0.00 O ATOM 470 CB VAL A 29 5.111 -4.378 6.692 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.535 -5.846 6.774 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.537 -4.050 5.312 1.00 0.00 C ATOM 0 H VAL A 29 3.625 -2.347 6.653 1.00 0.00 H new ATOM 0 HA VAL A 29 3.547 -4.942 8.003 1.00 0.00 H new ATOM 0 HB VAL A 29 5.999 -3.764 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.245 -6.065 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.004 -6.036 7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.658 -6.485 6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.267 -4.305 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.625 -4.625 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.309 -2.986 5.257 1.00 0.00 H new ATOM 482 N GLU A 30 4.448 -2.412 9.549 1.00 0.00 N ATOM 483 CA GLU A 30 5.012 -1.883 10.779 1.00 0.00 C ATOM 484 C GLU A 30 4.444 -2.628 11.988 1.00 0.00 C ATOM 485 O GLU A 30 5.107 -2.746 13.017 1.00 0.00 O ATOM 486 CB GLU A 30 4.760 -0.378 10.895 1.00 0.00 C ATOM 487 CG GLU A 30 5.958 0.332 11.529 1.00 0.00 C ATOM 488 CD GLU A 30 5.994 0.103 13.041 1.00 0.00 C ATOM 489 OE1 GLU A 30 5.112 0.670 13.722 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.902 -0.634 13.483 1.00 0.00 O ATOM 0 H GLU A 30 3.789 -1.791 9.080 1.00 0.00 H new ATOM 0 HA GLU A 30 6.091 -2.037 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.567 0.039 9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.868 -0.200 11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.881 -0.034 11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.904 1.401 11.321 1.00 0.00 H new ATOM 497 N ASN A 31 3.222 -3.112 11.823 1.00 0.00 N ATOM 498 CA ASN A 31 2.557 -3.844 12.888 1.00 0.00 C ATOM 499 C ASN A 31 1.910 -5.104 12.310 1.00 0.00 C ATOM 500 O ASN A 31 0.741 -5.382 12.571 1.00 0.00 O ATOM 501 CB ASN A 31 1.454 -2.999 13.531 1.00 0.00 C ATOM 502 CG ASN A 31 2.049 -1.836 14.328 1.00 0.00 C ATOM 503 OD1 ASN A 31 2.140 -1.865 15.544 1.00 0.00 O ATOM 504 ND2 ASN A 31 2.447 -0.813 13.576 1.00 0.00 N ATOM 0 H ASN A 31 2.675 -3.012 10.968 1.00 0.00 H new ATOM 0 HA ASN A 31 3.304 -4.097 13.640 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.790 -2.613 12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.849 -3.623 14.188 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.857 0.012 14.013 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.342 -0.854 12.562 1.00 0.00 H new ATOM 511 N GLU A 32 2.699 -5.832 11.534 1.00 0.00 N ATOM 512 CA GLU A 32 2.218 -7.056 10.916 1.00 0.00 C ATOM 513 C GLU A 32 1.830 -8.075 11.989 1.00 0.00 C ATOM 514 O GLU A 32 1.527 -7.704 13.122 1.00 0.00 O ATOM 515 CB GLU A 32 3.264 -7.636 9.961 1.00 0.00 C ATOM 516 CG GLU A 32 4.460 -8.196 10.734 1.00 0.00 C ATOM 517 CD GLU A 32 4.890 -9.553 10.171 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.000 -10.257 9.647 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.098 -9.855 10.278 1.00 0.00 O ATOM 0 H GLU A 32 3.668 -5.598 11.319 1.00 0.00 H new ATOM 0 HA GLU A 32 1.330 -6.819 10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.814 -8.425 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.602 -6.862 9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.293 -7.495 10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.200 -8.301 11.787 1.00 0.00 H new ATOM 526 N ASP A 33 1.852 -9.340 11.594 1.00 0.00 N ATOM 527 CA ASP A 33 1.505 -10.415 12.507 1.00 0.00 C ATOM 528 C ASP A 33 2.071 -11.733 11.974 1.00 0.00 C ATOM 529 O ASP A 33 2.330 -11.864 10.779 1.00 0.00 O ATOM 530 CB ASP A 33 -0.012 -10.567 12.630 1.00 0.00 C ATOM 531 CG ASP A 33 -0.511 -10.970 14.019 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.220 -10.683 14.991 1.00 0.00 O ATOM 533 OD2 ASP A 33 -1.614 -11.557 14.077 1.00 0.00 O ATOM 0 H ASP A 33 2.105 -9.644 10.654 1.00 0.00 H new ATOM 0 HA ASP A 33 1.923 -10.174 13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.480 -9.623 12.352 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.347 -11.313 11.910 1.00 0.00 H new ATOM 538 N LYS A 34 2.246 -12.677 12.887 1.00 0.00 N ATOM 539 CA LYS A 34 2.776 -13.981 12.524 1.00 0.00 C ATOM 540 C LYS A 34 1.806 -14.671 11.564 1.00 0.00 C ATOM 541 O LYS A 34 2.106 -14.832 10.382 1.00 0.00 O ATOM 542 CB LYS A 34 3.089 -14.800 13.778 1.00 0.00 C ATOM 543 CG LYS A 34 4.585 -14.765 14.097 1.00 0.00 C ATOM 544 CD LYS A 34 4.986 -13.418 14.700 1.00 0.00 C ATOM 545 CE LYS A 34 6.188 -13.571 15.634 1.00 0.00 C ATOM 546 NZ LYS A 34 6.655 -12.247 16.100 1.00 0.00 N ATOM 0 H LYS A 34 2.030 -12.565 13.878 1.00 0.00 H new ATOM 0 HA LYS A 34 3.724 -13.874 11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.524 -14.407 14.623 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.769 -15.832 13.632 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.831 -15.567 14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.159 -14.946 13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.228 -12.716 13.902 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.145 -12.997 15.250 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.915 -14.188 16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.996 -14.086 15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.471 -12.370 16.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.935 -11.670 15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.887 -11.769 16.614 1.00 0.00 H new ATOM 560 N ARG A 35 0.662 -15.061 12.108 1.00 0.00 N ATOM 561 CA ARG A 35 -0.354 -15.731 11.314 1.00 0.00 C ATOM 562 C ARG A 35 -1.054 -14.729 10.394 1.00 0.00 C ATOM 563 O ARG A 35 -1.875 -15.114 9.562 1.00 0.00 O ATOM 564 CB ARG A 35 -1.396 -16.406 12.209 1.00 0.00 C ATOM 565 CG ARG A 35 -1.073 -17.889 12.404 1.00 0.00 C ATOM 566 CD ARG A 35 -1.353 -18.326 13.843 1.00 0.00 C ATOM 567 NE ARG A 35 -2.441 -19.329 13.864 1.00 0.00 N ATOM 568 CZ ARG A 35 -3.744 -19.026 13.786 1.00 0.00 C ATOM 569 NH1 ARG A 35 -4.129 -17.747 13.682 1.00 0.00 N ATOM 570 NH2 ARG A 35 -4.662 -20.002 13.813 1.00 0.00 N ATOM 0 H ARG A 35 0.417 -14.926 13.089 1.00 0.00 H new ATOM 0 HA ARG A 35 0.143 -16.494 10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.427 -15.907 13.177 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.386 -16.301 11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.669 -18.488 11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.026 -18.072 12.162 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.450 -18.747 14.286 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.632 -17.462 14.447 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.183 -20.313 13.943 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.430 -17.004 13.662 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.121 -17.516 13.623 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.369 -20.976 13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.654 -19.771 13.754 1.00 0.00 H new ATOM 584 N LYS A 36 -0.705 -13.464 10.574 1.00 0.00 N ATOM 585 CA LYS A 36 -1.290 -12.404 9.770 1.00 0.00 C ATOM 586 C LYS A 36 -0.189 -11.437 9.330 1.00 0.00 C ATOM 587 O LYS A 36 -0.033 -10.364 9.910 1.00 0.00 O ATOM 588 CB LYS A 36 -2.436 -11.729 10.526 1.00 0.00 C ATOM 589 CG LYS A 36 -3.780 -12.364 10.166 1.00 0.00 C ATOM 590 CD LYS A 36 -4.320 -13.200 11.328 1.00 0.00 C ATOM 591 CE LYS A 36 -5.459 -12.472 12.044 1.00 0.00 C ATOM 592 NZ LYS A 36 -5.941 -13.270 13.194 1.00 0.00 N ATOM 0 H LYS A 36 -0.024 -13.149 11.265 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.735 -12.814 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.267 -11.812 11.600 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.457 -10.666 10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.498 -11.585 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.664 -12.993 9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.675 -14.161 10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.517 -13.409 12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.115 -11.497 12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.279 -12.293 11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.714 -12.762 13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.288 -14.191 12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.160 -13.419 13.865 1.00 0.00 H new ATOM 606 N PRO A 37 0.565 -11.864 8.282 1.00 0.00 N ATOM 607 CA PRO A 37 1.647 -11.048 7.757 1.00 0.00 C ATOM 608 C PRO A 37 1.102 -9.878 6.934 1.00 0.00 C ATOM 609 O PRO A 37 -0.057 -9.495 7.085 1.00 0.00 O ATOM 610 CB PRO A 37 2.499 -12.004 6.939 1.00 0.00 C ATOM 611 CG PRO A 37 1.617 -13.208 6.653 1.00 0.00 C ATOM 612 CD PRO A 37 0.409 -13.129 7.571 1.00 0.00 C ATOM 0 HA PRO A 37 2.240 -10.580 8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.832 -11.535 6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.394 -12.297 7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.304 -13.212 5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.167 -14.133 6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.521 -13.152 7.004 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.382 -13.971 8.263 1.00 0.00 H new ATOM 620 N TYR A 38 1.964 -9.344 6.081 1.00 0.00 N ATOM 621 CA TYR A 38 1.584 -8.227 5.234 1.00 0.00 C ATOM 622 C TYR A 38 2.415 -8.205 3.950 1.00 0.00 C ATOM 623 O TYR A 38 3.020 -7.188 3.615 1.00 0.00 O ATOM 624 CB TYR A 38 1.884 -6.963 6.043 1.00 0.00 C ATOM 625 CG TYR A 38 0.724 -6.498 6.925 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.569 -6.544 6.445 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.970 -6.033 8.201 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.662 -6.106 7.274 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.123 -5.595 9.030 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.385 -5.653 8.526 1.00 0.00 C ATOM 631 OH TYR A 38 -2.416 -5.240 9.310 1.00 0.00 O ATOM 0 H TYR A 38 2.925 -9.665 5.959 1.00 0.00 H new ATOM 0 HA TYR A 38 0.535 -8.302 4.948 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.755 -7.145 6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.150 -6.159 5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.761 -6.909 5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.982 -5.998 8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.678 -6.137 6.910 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.055 -5.228 10.030 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.069 -4.944 10.177 1.00 0.00 H new ATOM 641 N SER A 39 2.416 -9.339 3.265 1.00 0.00 N ATOM 642 CA SER A 39 3.162 -9.463 2.024 1.00 0.00 C ATOM 643 C SER A 39 2.452 -8.695 0.907 1.00 0.00 C ATOM 644 O SER A 39 1.316 -8.255 1.077 1.00 0.00 O ATOM 645 CB SER A 39 3.337 -10.931 1.631 1.00 0.00 C ATOM 646 OG SER A 39 2.333 -11.761 2.207 1.00 0.00 O ATOM 0 H SER A 39 1.912 -10.180 3.546 1.00 0.00 H new ATOM 0 HA SER A 39 4.153 -9.035 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.304 -11.022 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.320 -11.277 1.950 1.00 0.00 H new ATOM 0 HG SER A 39 2.479 -12.690 1.931 1.00 0.00 H new ATOM 652 N ASP A 40 3.152 -8.556 -0.209 1.00 0.00 N ATOM 653 CA ASP A 40 2.603 -7.849 -1.354 1.00 0.00 C ATOM 654 C ASP A 40 1.145 -8.267 -1.554 1.00 0.00 C ATOM 655 O ASP A 40 0.310 -7.452 -1.944 1.00 0.00 O ATOM 656 CB ASP A 40 3.372 -8.188 -2.632 1.00 0.00 C ATOM 657 CG ASP A 40 3.794 -9.653 -2.763 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.572 -10.100 -1.893 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.328 -10.293 -3.731 1.00 0.00 O ATOM 0 H ASP A 40 4.095 -8.921 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 40 2.682 -6.779 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.754 -7.925 -3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.264 -7.563 -2.678 1.00 0.00 H new ATOM 664 N GLN A 41 0.883 -9.536 -1.278 1.00 0.00 N ATOM 665 CA GLN A 41 -0.460 -10.072 -1.424 1.00 0.00 C ATOM 666 C GLN A 41 -1.431 -9.325 -0.508 1.00 0.00 C ATOM 667 O GLN A 41 -2.407 -8.740 -0.977 1.00 0.00 O ATOM 668 CB GLN A 41 -0.484 -11.575 -1.139 1.00 0.00 C ATOM 669 CG GLN A 41 -1.810 -11.991 -0.499 1.00 0.00 C ATOM 670 CD GLN A 41 -2.982 -11.730 -1.448 1.00 0.00 C ATOM 671 OE1 GLN A 41 -2.817 -11.295 -2.576 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.172 -12.020 -0.930 1.00 0.00 N ATOM 0 H GLN A 41 1.578 -10.209 -0.954 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.779 -9.926 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.335 -12.127 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.341 -11.836 -0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.776 -13.049 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.959 -11.439 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.240 -12.381 0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.017 -11.881 -1.484 1.00 0.00 H new ATOM 681 N GLU A 42 -1.132 -9.369 0.782 1.00 0.00 N ATOM 682 CA GLU A 42 -1.966 -8.704 1.768 1.00 0.00 C ATOM 683 C GLU A 42 -2.040 -7.204 1.475 1.00 0.00 C ATOM 684 O GLU A 42 -3.111 -6.679 1.173 1.00 0.00 O ATOM 685 CB GLU A 42 -1.452 -8.961 3.185 1.00 0.00 C ATOM 686 CG GLU A 42 -2.505 -8.582 4.228 1.00 0.00 C ATOM 687 CD GLU A 42 -3.918 -8.838 3.699 1.00 0.00 C ATOM 688 OE1 GLU A 42 -4.193 -10.009 3.361 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.690 -7.857 3.644 1.00 0.00 O ATOM 0 H GLU A 42 -0.323 -9.856 1.167 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.972 -9.118 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.189 -10.013 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.542 -8.385 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.344 -9.159 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.397 -7.530 4.493 1.00 0.00 H new ATOM 696 N ILE A 43 -0.889 -6.556 1.575 1.00 0.00 N ATOM 697 CA ILE A 43 -0.809 -5.127 1.325 1.00 0.00 C ATOM 698 C ILE A 43 -1.627 -4.786 0.077 1.00 0.00 C ATOM 699 O ILE A 43 -2.438 -3.862 0.096 1.00 0.00 O ATOM 700 CB ILE A 43 0.651 -4.677 1.246 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.116 -4.088 2.579 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.863 -3.704 0.084 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.557 -4.500 2.887 1.00 0.00 C ATOM 0 H ILE A 43 -0.003 -6.995 1.826 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.245 -4.570 2.155 1.00 0.00 H new ATOM 0 HB ILE A 43 1.268 -5.553 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.044 -3.001 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.458 -4.426 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.909 -3.400 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.597 -4.193 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.234 -2.825 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.863 -4.068 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.620 -5.587 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.215 -4.139 2.097 1.00 0.00 H new ATOM 715 N ALA A 44 -1.384 -5.551 -0.977 1.00 0.00 N ATOM 716 CA ALA A 44 -2.087 -5.341 -2.231 1.00 0.00 C ATOM 717 C ALA A 44 -3.593 -5.474 -1.995 1.00 0.00 C ATOM 718 O ALA A 44 -4.382 -4.716 -2.557 1.00 0.00 O ATOM 719 CB ALA A 44 -1.572 -6.331 -3.278 1.00 0.00 C ATOM 0 H ALA A 44 -0.710 -6.317 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.900 -4.337 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.100 -6.173 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.504 -6.176 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.745 -7.350 -2.931 1.00 0.00 H new ATOM 725 N ASN A 45 -3.946 -6.442 -1.162 1.00 0.00 N ATOM 726 CA ASN A 45 -5.343 -6.683 -0.844 1.00 0.00 C ATOM 727 C ASN A 45 -5.881 -5.518 -0.011 1.00 0.00 C ATOM 728 O ASN A 45 -7.089 -5.289 0.034 1.00 0.00 O ATOM 729 CB ASN A 45 -5.508 -7.966 -0.026 1.00 0.00 C ATOM 730 CG ASN A 45 -5.710 -9.177 -0.939 1.00 0.00 C ATOM 731 OD1 ASN A 45 -6.754 -9.807 -0.955 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.655 -9.465 -1.696 1.00 0.00 N ATOM 0 H ASN A 45 -3.289 -7.069 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.890 -6.780 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.627 -8.119 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.361 -7.866 0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.690 -10.255 -2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.811 -8.896 -1.633 1.00 0.00 H new ATOM 739 N ILE A 46 -4.958 -4.814 0.627 1.00 0.00 N ATOM 740 CA ILE A 46 -5.325 -3.678 1.456 1.00 0.00 C ATOM 741 C ILE A 46 -5.911 -2.575 0.572 1.00 0.00 C ATOM 742 O ILE A 46 -6.934 -1.982 0.910 1.00 0.00 O ATOM 743 CB ILE A 46 -4.132 -3.222 2.299 1.00 0.00 C ATOM 744 CG1 ILE A 46 -3.668 -4.336 3.240 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.455 -1.932 3.055 1.00 0.00 C ATOM 746 CD1 ILE A 46 -2.777 -3.779 4.352 1.00 0.00 C ATOM 0 H ILE A 46 -3.957 -5.008 0.587 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.100 -3.961 2.169 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.303 -3.002 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.535 -4.832 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.121 -5.090 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.590 -1.630 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.700 -1.144 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.305 -2.101 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.461 -4.591 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.899 -3.305 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.335 -3.043 4.931 1.00 0.00 H new ATOM 758 N LEU A 47 -5.236 -2.333 -0.542 1.00 0.00 N ATOM 759 CA LEU A 47 -5.677 -1.312 -1.477 1.00 0.00 C ATOM 760 C LEU A 47 -7.117 -1.604 -1.903 1.00 0.00 C ATOM 761 O LEU A 47 -7.912 -0.683 -2.088 1.00 0.00 O ATOM 762 CB LEU A 47 -4.699 -1.200 -2.649 1.00 0.00 C ATOM 763 CG LEU A 47 -4.930 -2.171 -3.809 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.861 -1.559 -4.858 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.601 -2.624 -4.417 1.00 0.00 C ATOM 0 H LEU A 47 -4.387 -2.826 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.678 -0.333 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.744 -0.183 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.689 -1.352 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.425 -3.060 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.009 -2.269 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.822 -1.327 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.416 -0.645 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.793 -3.313 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.057 -1.756 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.004 -3.126 -3.655 1.00 0.00 H new ATOM 777 N LYS A 48 -7.409 -2.888 -2.045 1.00 0.00 N ATOM 778 CA LYS A 48 -8.740 -3.313 -2.446 1.00 0.00 C ATOM 779 C LYS A 48 -9.767 -2.756 -1.458 1.00 0.00 C ATOM 780 O LYS A 48 -10.949 -2.647 -1.781 1.00 0.00 O ATOM 781 CB LYS A 48 -8.794 -4.834 -2.598 1.00 0.00 C ATOM 782 CG LYS A 48 -8.134 -5.279 -3.904 1.00 0.00 C ATOM 783 CD LYS A 48 -8.198 -6.799 -4.061 1.00 0.00 C ATOM 784 CE LYS A 48 -7.583 -7.240 -5.391 1.00 0.00 C ATOM 785 NZ LYS A 48 -8.608 -7.869 -6.253 1.00 0.00 N ATOM 0 H LYS A 48 -6.747 -3.648 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.990 -2.910 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.291 -5.305 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.831 -5.168 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.632 -4.801 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.094 -4.952 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.669 -7.276 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.235 -7.130 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.149 -6.380 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.772 -7.944 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.174 -8.162 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.003 -8.702 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.369 -7.186 -6.443 1.00 0.00 H new ATOM 799 N GLU A 49 -9.279 -2.419 -0.274 1.00 0.00 N ATOM 800 CA GLU A 49 -10.140 -1.876 0.764 1.00 0.00 C ATOM 801 C GLU A 49 -10.710 -0.525 0.328 1.00 0.00 C ATOM 802 O GLU A 49 -11.485 0.090 1.058 1.00 0.00 O ATOM 803 CB GLU A 49 -9.389 -1.752 2.091 1.00 0.00 C ATOM 804 CG GLU A 49 -8.833 -3.107 2.535 1.00 0.00 C ATOM 805 CD GLU A 49 -9.469 -3.554 3.853 1.00 0.00 C ATOM 806 OE1 GLU A 49 -10.634 -3.164 4.082 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.775 -4.276 4.601 1.00 0.00 O ATOM 0 H GLU A 49 -8.298 -2.511 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.970 -2.566 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.573 -1.037 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.059 -1.361 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.024 -3.853 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.752 -3.040 2.653 1.00 0.00 H new ATOM 885 N VAL A 54 -2.532 1.486 -6.112 1.00 0.00 N ATOM 886 CA VAL A 54 -1.574 0.394 -6.066 1.00 0.00 C ATOM 887 C VAL A 54 -2.113 -0.786 -6.877 1.00 0.00 C ATOM 888 O VAL A 54 -3.166 -0.684 -7.505 1.00 0.00 O ATOM 889 CB VAL A 54 -1.266 0.029 -4.612 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.227 -0.245 -4.421 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.750 1.123 -3.658 1.00 0.00 C ATOM 0 HA VAL A 54 -0.629 0.695 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.808 -0.886 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.419 -0.502 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.530 -1.074 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.797 0.645 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.519 0.839 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.249 2.061 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.827 1.249 -3.766 1.00 0.00 H new ATOM 901 N ALA A 55 -1.366 -1.880 -6.838 1.00 0.00 N ATOM 902 CA ALA A 55 -1.756 -3.078 -7.562 1.00 0.00 C ATOM 903 C ALA A 55 -0.659 -4.135 -7.418 1.00 0.00 C ATOM 904 O ALA A 55 0.512 -3.800 -7.250 1.00 0.00 O ATOM 905 CB ALA A 55 -2.036 -2.724 -9.024 1.00 0.00 C ATOM 0 H ALA A 55 -0.493 -1.962 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.673 -3.495 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.328 -3.623 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.842 -1.992 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.137 -2.304 -9.475 1.00 0.00 H new ATOM 911 N ARG A 56 -1.078 -5.390 -7.490 1.00 0.00 N ATOM 912 CA ARG A 56 -0.146 -6.498 -7.369 1.00 0.00 C ATOM 913 C ARG A 56 1.209 -6.119 -7.970 1.00 0.00 C ATOM 914 O ARG A 56 2.250 -6.339 -7.351 1.00 0.00 O ATOM 915 CB ARG A 56 -0.679 -7.746 -8.077 1.00 0.00 C ATOM 916 CG ARG A 56 -1.719 -8.463 -7.215 1.00 0.00 C ATOM 917 CD ARG A 56 -2.235 -9.723 -7.913 1.00 0.00 C ATOM 918 NE ARG A 56 -3.224 -9.358 -8.952 1.00 0.00 N ATOM 919 CZ ARG A 56 -3.809 -10.239 -9.775 1.00 0.00 C ATOM 920 NH1 ARG A 56 -3.508 -11.541 -9.686 1.00 0.00 N ATOM 921 NH2 ARG A 56 -4.694 -9.817 -10.688 1.00 0.00 N ATOM 0 H ARG A 56 -2.050 -5.664 -7.631 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.028 -6.718 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.124 -7.465 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.146 -8.424 -8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.279 -8.730 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.552 -7.790 -7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.404 -10.264 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.692 -10.392 -7.183 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.476 -8.374 -9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.833 -11.862 -8.992 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.953 -12.211 -10.313 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.922 -8.825 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.139 -10.487 -11.315 1.00 0.00 H new ATOM 935 N ARG A 57 1.154 -5.556 -9.168 1.00 0.00 N ATOM 936 CA ARG A 57 2.364 -5.145 -9.858 1.00 0.00 C ATOM 937 C ARG A 57 3.104 -4.082 -9.044 1.00 0.00 C ATOM 938 O ARG A 57 4.297 -4.219 -8.776 1.00 0.00 O ATOM 939 CB ARG A 57 2.043 -4.584 -11.245 1.00 0.00 C ATOM 940 CG ARG A 57 2.573 -5.505 -12.346 1.00 0.00 C ATOM 941 CD ARG A 57 4.069 -5.767 -12.168 1.00 0.00 C ATOM 942 NE ARG A 57 4.665 -6.189 -13.455 1.00 0.00 N ATOM 943 CZ ARG A 57 5.983 -6.228 -13.696 1.00 0.00 C ATOM 944 NH1 ARG A 57 6.850 -5.871 -12.739 1.00 0.00 N ATOM 945 NH2 ARG A 57 6.434 -6.624 -14.894 1.00 0.00 N ATOM 0 H ARG A 57 0.290 -5.375 -9.678 1.00 0.00 H new ATOM 0 HA ARG A 57 2.996 -6.025 -9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.965 -4.466 -11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.484 -3.593 -11.351 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.030 -6.450 -12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.393 -5.053 -13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.564 -4.866 -11.807 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.224 -6.540 -11.415 1.00 0.00 H new ATOM 0 HE ARG A 57 4.033 -6.468 -14.206 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.507 -5.570 -11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.853 -5.901 -12.923 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.774 -6.896 -15.623 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.437 -6.654 -15.077 1.00 0.00 H new ATOM 959 N THR A 58 2.366 -3.046 -8.674 1.00 0.00 N ATOM 960 CA THR A 58 2.938 -1.960 -7.896 1.00 0.00 C ATOM 961 C THR A 58 3.475 -2.484 -6.562 1.00 0.00 C ATOM 962 O THR A 58 4.605 -2.181 -6.182 1.00 0.00 O ATOM 963 CB THR A 58 1.868 -0.878 -7.736 1.00 0.00 C ATOM 964 OG1 THR A 58 1.983 -0.098 -8.923 1.00 0.00 O ATOM 965 CG2 THR A 58 2.193 0.106 -6.610 1.00 0.00 C ATOM 0 H THR A 58 1.377 -2.935 -8.898 1.00 0.00 H new ATOM 0 HA THR A 58 3.795 -1.518 -8.405 1.00 0.00 H new ATOM 0 HB THR A 58 0.904 -1.347 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.323 0.627 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.402 0.853 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.268 -0.433 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.141 0.601 -6.821 1.00 0.00 H new ATOM 973 N VAL A 59 2.640 -3.262 -5.889 1.00 0.00 N ATOM 974 CA VAL A 59 3.017 -3.832 -4.607 1.00 0.00 C ATOM 975 C VAL A 59 4.285 -4.670 -4.779 1.00 0.00 C ATOM 976 O VAL A 59 5.220 -4.556 -3.988 1.00 0.00 O ATOM 977 CB VAL A 59 1.847 -4.629 -4.024 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.983 -4.771 -2.507 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.508 -3.990 -4.398 1.00 0.00 C ATOM 0 H VAL A 59 1.704 -3.511 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 59 3.244 -3.043 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 59 1.873 -5.629 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.139 -5.341 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.912 -5.291 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.995 -3.782 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.306 -4.576 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.468 -2.974 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.407 -3.965 -5.483 1.00 0.00 H new ATOM 989 N ALA A 60 4.275 -5.493 -5.817 1.00 0.00 N ATOM 990 CA ALA A 60 5.413 -6.350 -6.102 1.00 0.00 C ATOM 991 C ALA A 60 6.682 -5.498 -6.177 1.00 0.00 C ATOM 992 O ALA A 60 7.720 -5.876 -5.636 1.00 0.00 O ATOM 993 CB ALA A 60 5.156 -7.127 -7.395 1.00 0.00 C ATOM 0 H ALA A 60 3.497 -5.585 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 60 5.552 -7.080 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.010 -7.770 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.261 -7.738 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.014 -6.427 -8.218 1.00 0.00 H new ATOM 999 N LYS A 61 6.556 -4.365 -6.852 1.00 0.00 N ATOM 1000 CA LYS A 61 7.680 -3.457 -7.004 1.00 0.00 C ATOM 1001 C LYS A 61 8.089 -2.923 -5.630 1.00 0.00 C ATOM 1002 O LYS A 61 9.277 -2.832 -5.324 1.00 0.00 O ATOM 1003 CB LYS A 61 7.348 -2.359 -8.017 1.00 0.00 C ATOM 1004 CG LYS A 61 7.737 -2.784 -9.434 1.00 0.00 C ATOM 1005 CD LYS A 61 8.522 -1.677 -10.142 1.00 0.00 C ATOM 1006 CE LYS A 61 7.581 -0.724 -10.881 1.00 0.00 C ATOM 1007 NZ LYS A 61 7.367 0.509 -10.091 1.00 0.00 N ATOM 0 H LYS A 61 5.693 -4.055 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 61 8.543 -3.984 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.282 -2.136 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.875 -1.443 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.338 -3.692 -9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.840 -3.021 -10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.110 -1.120 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.225 -2.119 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.001 -0.471 -11.854 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.626 -1.216 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.726 1.145 -10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.946 0.264 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.278 0.986 -9.938 1.00 0.00 H new ATOM 1021 N TYR A 62 7.082 -2.583 -4.839 1.00 0.00 N ATOM 1022 CA TYR A 62 7.321 -2.061 -3.505 1.00 0.00 C ATOM 1023 C TYR A 62 7.971 -3.119 -2.610 1.00 0.00 C ATOM 1024 O TYR A 62 8.871 -2.810 -1.831 1.00 0.00 O ATOM 1025 CB TYR A 62 5.946 -1.705 -2.937 1.00 0.00 C ATOM 1026 CG TYR A 62 5.455 -0.309 -3.324 1.00 0.00 C ATOM 1027 CD1 TYR A 62 6.274 0.786 -3.140 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.192 -0.144 -3.858 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.812 2.101 -3.505 1.00 0.00 C ATOM 1030 CE2 TYR A 62 3.730 1.170 -4.222 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.563 2.227 -4.028 1.00 0.00 C ATOM 1032 OH TYR A 62 4.127 3.469 -4.371 1.00 0.00 O ATOM 0 H TYR A 62 6.098 -2.659 -5.097 1.00 0.00 H new ATOM 0 HA TYR A 62 7.991 -1.203 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.220 -2.442 -3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.984 -1.777 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.262 0.657 -2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.551 -1.001 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.443 2.967 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.744 1.313 -4.640 1.00 0.00 H new ATOM 0 HH TYR A 62 3.334 3.391 -4.941 1.00 0.00 H new ATOM 1042 N ARG A 63 7.489 -4.344 -2.752 1.00 0.00 N ATOM 1043 CA ARG A 63 8.011 -5.450 -1.967 1.00 0.00 C ATOM 1044 C ARG A 63 9.541 -5.444 -1.994 1.00 0.00 C ATOM 1045 O ARG A 63 10.184 -5.692 -0.975 1.00 0.00 O ATOM 1046 CB ARG A 63 7.504 -6.792 -2.499 1.00 0.00 C ATOM 1047 CG ARG A 63 7.848 -7.929 -1.535 1.00 0.00 C ATOM 1048 CD ARG A 63 8.501 -9.097 -2.276 1.00 0.00 C ATOM 1049 NE ARG A 63 9.964 -8.889 -2.358 1.00 0.00 N ATOM 1050 CZ ARG A 63 10.799 -8.999 -1.315 1.00 0.00 C ATOM 1051 NH1 ARG A 63 10.319 -9.314 -0.104 1.00 0.00 N ATOM 1052 NH2 ARG A 63 12.112 -8.792 -1.483 1.00 0.00 N ATOM 0 H ARG A 63 6.742 -4.596 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 63 7.661 -5.323 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.424 -6.746 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.947 -6.991 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.522 -7.563 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.943 -8.272 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.287 -10.032 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.081 -9.183 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 63 10.362 -8.647 -3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.319 -9.470 0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.954 -9.398 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.476 -8.551 -2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.747 -8.876 -0.689 1.00 0.00 H new ATOM 1066 N GLU A 64 10.079 -5.157 -3.170 1.00 0.00 N ATOM 1067 CA GLU A 64 11.521 -5.115 -3.343 1.00 0.00 C ATOM 1068 C GLU A 64 12.114 -3.932 -2.575 1.00 0.00 C ATOM 1069 O GLU A 64 13.176 -4.052 -1.965 1.00 0.00 O ATOM 1070 CB GLU A 64 11.894 -5.048 -4.825 1.00 0.00 C ATOM 1071 CG GLU A 64 13.388 -5.311 -5.028 1.00 0.00 C ATOM 1072 CD GLU A 64 14.008 -4.265 -5.957 1.00 0.00 C ATOM 1073 OE1 GLU A 64 13.625 -4.266 -7.147 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.850 -3.489 -5.456 1.00 0.00 O ATOM 0 H GLU A 64 9.542 -4.951 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 64 11.942 -6.035 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.313 -5.782 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.636 -4.067 -5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.898 -5.295 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.532 -6.306 -5.448 1.00 0.00 H new ATOM 1081 N MET A 65 11.402 -2.816 -2.630 1.00 0.00 N ATOM 1082 CA MET A 65 11.845 -1.612 -1.947 1.00 0.00 C ATOM 1083 C MET A 65 11.764 -1.781 -0.429 1.00 0.00 C ATOM 1084 O MET A 65 12.581 -1.229 0.306 1.00 0.00 O ATOM 1085 CB MET A 65 10.971 -0.431 -2.376 1.00 0.00 C ATOM 1086 CG MET A 65 11.534 0.239 -3.631 1.00 0.00 C ATOM 1087 SD MET A 65 10.434 1.536 -4.175 1.00 0.00 S ATOM 1088 CE MET A 65 9.282 0.579 -5.146 1.00 0.00 C ATOM 0 H MET A 65 10.522 -2.720 -3.137 1.00 0.00 H new ATOM 0 HA MET A 65 12.884 -1.425 -2.218 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.955 -0.776 -2.568 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.913 0.296 -1.566 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.521 0.652 -3.422 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.659 -0.500 -4.423 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.267 0.923 -4.949 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.508 0.703 -6.205 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.367 -0.474 -4.878 1.00 0.00 H new ATOM 1098 N LEU A 66 10.771 -2.549 -0.003 1.00 0.00 N ATOM 1099 CA LEU A 66 10.573 -2.798 1.415 1.00 0.00 C ATOM 1100 C LEU A 66 9.902 -4.161 1.599 1.00 0.00 C ATOM 1101 O LEU A 66 8.683 -4.278 1.479 1.00 0.00 O ATOM 1102 CB LEU A 66 9.805 -1.642 2.060 1.00 0.00 C ATOM 1103 CG LEU A 66 8.290 -1.643 1.850 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.645 -0.417 2.499 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.942 -1.754 0.364 1.00 0.00 C ATOM 0 H LEU A 66 10.095 -3.007 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 66 11.531 -2.841 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.003 -1.654 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.205 -0.705 1.672 1.00 0.00 H new ATOM 0 HG LEU A 66 7.878 -2.523 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.568 -0.443 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.849 -0.423 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.058 0.489 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.859 -1.753 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.368 -0.907 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.351 -2.682 -0.037 1.00 0.00 H new