USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 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= -7.47! C(o=-12!,f=-11!) USER MOD Set 1.2: A 45 ASN : amide:sc= -4.62! K(o=-12!,f=-9.1) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 162:sc= -0.0211 (180deg=-0.244) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -44:sc= -0.593 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -179:sc= -5.84! (180deg=-6.02!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.00495) USER MOD Single : A 31 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.345! 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 -43:sc= -0.233! USER MOD Single : A 65 MET CE :methyl 147:sc= -2.9! (180deg=-3.02!) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 1.596 10.090 -3.448 1.00 0.00 N ATOM 262 CA THR A 17 2.798 9.933 -4.248 1.00 0.00 C ATOM 263 C THR A 17 3.366 8.522 -4.086 1.00 0.00 C ATOM 264 O THR A 17 3.094 7.849 -3.093 1.00 0.00 O ATOM 265 CB THR A 17 3.782 11.034 -3.846 1.00 0.00 C ATOM 266 OG1 THR A 17 3.678 11.090 -2.426 1.00 0.00 O ATOM 267 CG2 THR A 17 3.330 12.420 -4.309 1.00 0.00 C ATOM 0 HA THR A 17 2.582 10.043 -5.311 1.00 0.00 H new ATOM 0 HB THR A 17 4.764 10.815 -4.265 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.734 11.053 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.063 13.164 -3.998 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.241 12.430 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.363 12.655 -3.864 1.00 0.00 H new ATOM 275 N GLN A 18 4.146 8.115 -5.077 1.00 0.00 N ATOM 276 CA GLN A 18 4.755 6.796 -5.057 1.00 0.00 C ATOM 277 C GLN A 18 5.528 6.588 -3.753 1.00 0.00 C ATOM 278 O GLN A 18 5.584 5.476 -3.231 1.00 0.00 O ATOM 279 CB GLN A 18 5.663 6.592 -6.272 1.00 0.00 C ATOM 280 CG GLN A 18 5.045 5.600 -7.259 1.00 0.00 C ATOM 281 CD GLN A 18 4.527 6.318 -8.506 1.00 0.00 C ATOM 282 OE1 GLN A 18 3.365 6.676 -8.611 1.00 0.00 O ATOM 283 NE2 GLN A 18 5.451 6.508 -9.444 1.00 0.00 N ATOM 0 H GLN A 18 4.370 8.676 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 18 3.962 6.050 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.831 7.547 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.637 6.227 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.788 4.856 -7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.227 5.064 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.406 6.183 -9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.204 6.978 -10.315 1.00 0.00 H new ATOM 292 N GLY A 19 6.106 7.676 -3.266 1.00 0.00 N ATOM 293 CA GLY A 19 6.873 7.627 -2.033 1.00 0.00 C ATOM 294 C GLY A 19 5.953 7.478 -0.819 1.00 0.00 C ATOM 295 O GLY A 19 6.304 6.810 0.152 1.00 0.00 O ATOM 0 H GLY A 19 6.059 8.597 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.572 6.791 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.467 8.535 -1.934 1.00 0.00 H new ATOM 299 N GLU A 20 4.794 8.112 -0.915 1.00 0.00 N ATOM 300 CA GLU A 20 3.821 8.058 0.163 1.00 0.00 C ATOM 301 C GLU A 20 3.268 6.639 0.309 1.00 0.00 C ATOM 302 O GLU A 20 3.072 6.157 1.424 1.00 0.00 O ATOM 303 CB GLU A 20 2.692 9.065 -0.067 1.00 0.00 C ATOM 304 CG GLU A 20 3.061 10.440 0.492 1.00 0.00 C ATOM 305 CD GLU A 20 1.808 11.243 0.846 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.279 11.904 -0.074 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.407 11.178 2.028 1.00 0.00 O ATOM 0 H GLU A 20 4.507 8.666 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 20 4.322 8.329 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.484 9.146 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.779 8.708 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.683 10.321 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.653 10.988 -0.241 1.00 0.00 H new ATOM 314 N LEU A 21 3.033 6.009 -0.833 1.00 0.00 N ATOM 315 CA LEU A 21 2.507 4.655 -0.846 1.00 0.00 C ATOM 316 C LEU A 21 3.472 3.730 -0.102 1.00 0.00 C ATOM 317 O LEU A 21 3.045 2.857 0.651 1.00 0.00 O ATOM 318 CB LEU A 21 2.209 4.209 -2.279 1.00 0.00 C ATOM 319 CG LEU A 21 0.981 3.316 -2.463 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.887 2.275 -1.346 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.295 4.155 -2.573 1.00 0.00 C ATOM 0 H LEU A 21 3.197 6.412 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 21 1.554 4.612 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.082 5.099 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.080 3.677 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 21 1.092 2.772 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.005 1.653 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.779 1.648 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.810 2.780 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.154 3.496 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.423 4.743 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.218 4.824 -3.430 1.00 0.00 H new ATOM 333 N MET A 22 4.756 3.953 -0.340 1.00 0.00 N ATOM 334 CA MET A 22 5.786 3.151 0.298 1.00 0.00 C ATOM 335 C MET A 22 5.623 3.159 1.819 1.00 0.00 C ATOM 336 O MET A 22 5.453 2.107 2.434 1.00 0.00 O ATOM 337 CB MET A 22 7.165 3.703 -0.071 1.00 0.00 C ATOM 338 CG MET A 22 8.270 2.972 0.695 1.00 0.00 C ATOM 339 SD MET A 22 9.818 3.116 -0.183 1.00 0.00 S ATOM 340 CE MET A 22 9.502 2.016 -1.552 1.00 0.00 C ATOM 0 H MET A 22 5.107 4.678 -0.966 1.00 0.00 H new ATOM 0 HA MET A 22 5.690 2.124 -0.054 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.329 3.596 -1.143 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.206 4.769 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.369 3.392 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.007 1.921 0.815 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.381 1.974 -2.195 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.281 1.018 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.650 2.383 -2.125 1.00 0.00 H new ATOM 350 N LYS A 23 5.681 4.356 2.383 1.00 0.00 N ATOM 351 CA LYS A 23 5.543 4.515 3.820 1.00 0.00 C ATOM 352 C LYS A 23 4.191 3.950 4.263 1.00 0.00 C ATOM 353 O LYS A 23 4.077 3.386 5.350 1.00 0.00 O ATOM 354 CB LYS A 23 5.760 5.975 4.222 1.00 0.00 C ATOM 355 CG LYS A 23 6.731 6.081 5.399 1.00 0.00 C ATOM 356 CD LYS A 23 8.148 6.397 4.914 1.00 0.00 C ATOM 357 CE LYS A 23 8.801 7.468 5.790 1.00 0.00 C ATOM 358 NZ LYS A 23 10.045 7.964 5.160 1.00 0.00 N ATOM 0 H LYS A 23 5.822 5.226 1.870 1.00 0.00 H new ATOM 0 HA LYS A 23 6.314 3.948 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.150 6.536 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.806 6.427 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.395 6.860 6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.734 5.145 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.753 5.490 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.114 6.739 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.108 8.295 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.024 7.055 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.476 8.690 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.711 7.175 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.823 8.376 4.231 1.00 0.00 H new ATOM 372 N LEU A 24 3.202 4.120 3.398 1.00 0.00 N ATOM 373 CA LEU A 24 1.864 3.634 3.686 1.00 0.00 C ATOM 374 C LEU A 24 1.879 2.105 3.728 1.00 0.00 C ATOM 375 O LEU A 24 1.250 1.498 4.593 1.00 0.00 O ATOM 376 CB LEU A 24 0.858 4.212 2.689 1.00 0.00 C ATOM 377 CG LEU A 24 0.631 5.723 2.764 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.219 6.284 1.402 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.381 6.072 3.857 1.00 0.00 C ATOM 0 H LEU A 24 3.301 4.588 2.497 1.00 0.00 H new ATOM 0 HA LEU A 24 1.538 3.977 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.192 3.965 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.099 3.713 2.839 1.00 0.00 H new ATOM 0 HG LEU A 24 1.574 6.197 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.064 7.360 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.005 6.085 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.706 5.808 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.524 7.152 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.332 5.586 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.009 5.727 4.821 1.00 0.00 H new ATOM 391 N ILE A 25 2.605 1.526 2.783 1.00 0.00 N ATOM 392 CA ILE A 25 2.710 0.079 2.701 1.00 0.00 C ATOM 393 C ILE A 25 3.486 -0.440 3.913 1.00 0.00 C ATOM 394 O ILE A 25 3.083 -1.419 4.539 1.00 0.00 O ATOM 395 CB ILE A 25 3.314 -0.339 1.359 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.229 -0.476 0.289 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.141 -1.618 1.504 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.837 -0.861 -1.062 1.00 0.00 C ATOM 0 H ILE A 25 3.126 2.033 2.068 1.00 0.00 H new ATOM 0 HA ILE A 25 1.721 -0.378 2.735 1.00 0.00 H new ATOM 0 HB ILE A 25 3.993 0.447 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.505 -1.231 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.687 0.465 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.559 -1.893 0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.951 -1.449 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.503 -2.424 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.045 -0.952 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.542 -0.092 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.358 -1.814 -0.968 1.00 0.00 H new ATOM 410 N LYS A 26 4.586 0.238 4.207 1.00 0.00 N ATOM 411 CA LYS A 26 5.422 -0.143 5.332 1.00 0.00 C ATOM 412 C LYS A 26 4.626 0.015 6.630 1.00 0.00 C ATOM 413 O LYS A 26 4.819 -0.745 7.577 1.00 0.00 O ATOM 414 CB LYS A 26 6.734 0.643 5.316 1.00 0.00 C ATOM 415 CG LYS A 26 7.674 0.165 6.424 1.00 0.00 C ATOM 416 CD LYS A 26 7.513 1.016 7.685 1.00 0.00 C ATOM 417 CE LYS A 26 8.461 2.216 7.662 1.00 0.00 C ATOM 418 NZ LYS A 26 9.831 1.802 8.040 1.00 0.00 N ATOM 0 H LYS A 26 4.917 1.049 3.685 1.00 0.00 H new ATOM 0 HA LYS A 26 5.706 -1.193 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.220 0.527 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.527 1.706 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.466 -0.879 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.706 0.215 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.483 1.363 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.713 0.407 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.471 2.660 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.104 2.982 8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.520 2.456 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.926 1.820 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.011 0.838 7.693 1.00 0.00 H new ATOM 432 N GLU A 27 3.749 1.008 6.631 1.00 0.00 N ATOM 433 CA GLU A 27 2.923 1.276 7.796 1.00 0.00 C ATOM 434 C GLU A 27 2.141 0.022 8.192 1.00 0.00 C ATOM 435 O GLU A 27 2.013 -0.286 9.376 1.00 0.00 O ATOM 436 CB GLU A 27 1.980 2.453 7.541 1.00 0.00 C ATOM 437 CG GLU A 27 0.780 2.409 8.488 1.00 0.00 C ATOM 438 CD GLU A 27 0.370 3.819 8.921 1.00 0.00 C ATOM 439 OE1 GLU A 27 0.166 4.654 8.013 1.00 0.00 O ATOM 440 OE2 GLU A 27 0.271 4.030 10.149 1.00 0.00 O ATOM 0 H GLU A 27 3.592 1.637 5.843 1.00 0.00 H new ATOM 0 HA GLU A 27 3.576 1.550 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.519 3.391 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.634 2.429 6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.059 1.918 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.027 1.813 9.366 1.00 0.00 H new ATOM 447 N ILE A 28 1.638 -0.667 7.178 1.00 0.00 N ATOM 448 CA ILE A 28 0.872 -1.881 7.406 1.00 0.00 C ATOM 449 C ILE A 28 1.798 -2.969 7.952 1.00 0.00 C ATOM 450 O ILE A 28 1.422 -3.712 8.858 1.00 0.00 O ATOM 451 CB ILE A 28 0.126 -2.290 6.134 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.173 -1.496 5.980 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.117 -3.800 6.103 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.005 -0.360 4.970 1.00 0.00 C ATOM 0 H ILE A 28 1.746 -0.408 6.197 1.00 0.00 H new ATOM 0 HA ILE A 28 0.103 -1.710 8.159 1.00 0.00 H new ATOM 0 HB ILE A 28 0.754 -2.047 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.973 -2.161 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.470 -1.088 6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.649 -4.064 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.839 -4.323 6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.715 -4.090 6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.943 0.188 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.221 0.316 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.732 -0.774 3.999 1.00 0.00 H new ATOM 466 N VAL A 29 2.991 -3.028 7.380 1.00 0.00 N ATOM 467 CA VAL A 29 3.974 -4.013 7.799 1.00 0.00 C ATOM 468 C VAL A 29 4.729 -3.486 9.021 1.00 0.00 C ATOM 469 O VAL A 29 5.702 -4.094 9.464 1.00 0.00 O ATOM 470 CB VAL A 29 4.898 -4.360 6.630 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.354 -5.818 6.706 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.221 -4.066 5.290 1.00 0.00 C ATOM 0 H VAL A 29 3.300 -2.410 6.630 1.00 0.00 H new ATOM 0 HA VAL A 29 3.483 -4.940 8.095 1.00 0.00 H new ATOM 0 HB VAL A 29 5.783 -3.728 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.010 -6.039 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.894 -5.982 7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.484 -6.474 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.899 -4.321 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.311 -4.660 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.970 -3.007 5.234 1.00 0.00 H new ATOM 482 N GLU A 30 4.251 -2.361 9.533 1.00 0.00 N ATOM 483 CA GLU A 30 4.868 -1.746 10.695 1.00 0.00 C ATOM 484 C GLU A 30 4.926 -2.742 11.855 1.00 0.00 C ATOM 485 O GLU A 30 5.825 -2.674 12.692 1.00 0.00 O ATOM 486 CB GLU A 30 4.122 -0.473 11.103 1.00 0.00 C ATOM 487 CG GLU A 30 4.708 0.118 12.387 1.00 0.00 C ATOM 488 CD GLU A 30 4.902 1.630 12.256 1.00 0.00 C ATOM 489 OE1 GLU A 30 5.827 2.020 11.511 1.00 0.00 O ATOM 490 OE2 GLU A 30 4.122 2.360 12.903 1.00 0.00 O ATOM 0 H GLU A 30 3.443 -1.860 9.164 1.00 0.00 H new ATOM 0 HA GLU A 30 5.887 -1.463 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.182 0.261 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.066 -0.698 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.045 -0.096 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.664 -0.357 12.607 1.00 0.00 H new ATOM 497 N ASN A 31 3.956 -3.645 11.867 1.00 0.00 N ATOM 498 CA ASN A 31 3.886 -4.654 12.910 1.00 0.00 C ATOM 499 C ASN A 31 3.045 -5.833 12.417 1.00 0.00 C ATOM 500 O ASN A 31 2.179 -6.327 13.139 1.00 0.00 O ATOM 501 CB ASN A 31 3.226 -4.096 14.172 1.00 0.00 C ATOM 502 CG ASN A 31 1.737 -3.829 13.940 1.00 0.00 C ATOM 503 OD1 ASN A 31 0.871 -4.551 14.404 1.00 0.00 O ATOM 504 ND2 ASN A 31 1.491 -2.753 13.198 1.00 0.00 N ATOM 0 H ASN A 31 3.212 -3.699 11.171 1.00 0.00 H new ATOM 0 HA ASN A 31 4.903 -4.969 13.144 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.349 -4.802 14.993 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.723 -3.172 14.469 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.529 -2.489 12.986 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.264 -2.192 12.841 1.00 0.00 H new ATOM 511 N GLU A 32 3.328 -6.250 11.192 1.00 0.00 N ATOM 512 CA GLU A 32 2.608 -7.361 10.595 1.00 0.00 C ATOM 513 C GLU A 32 2.434 -8.490 11.613 1.00 0.00 C ATOM 514 O GLU A 32 3.202 -8.593 12.568 1.00 0.00 O ATOM 515 CB GLU A 32 3.319 -7.863 9.337 1.00 0.00 C ATOM 516 CG GLU A 32 4.832 -7.660 9.444 1.00 0.00 C ATOM 517 CD GLU A 32 5.589 -8.801 8.762 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.216 -9.121 7.613 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.522 -9.327 9.405 1.00 0.00 O ATOM 0 H GLU A 32 4.046 -5.838 10.597 1.00 0.00 H new ATOM 0 HA GLU A 32 1.620 -7.010 10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.100 -8.920 9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.938 -7.333 8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.108 -6.711 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.121 -7.603 10.493 1.00 0.00 H new ATOM 526 N ASP A 33 1.419 -9.308 11.375 1.00 0.00 N ATOM 527 CA ASP A 33 1.134 -10.425 12.259 1.00 0.00 C ATOM 528 C ASP A 33 1.998 -11.622 11.857 1.00 0.00 C ATOM 529 O ASP A 33 2.477 -11.694 10.726 1.00 0.00 O ATOM 530 CB ASP A 33 -0.333 -10.846 12.160 1.00 0.00 C ATOM 531 CG ASP A 33 -1.034 -11.068 13.501 1.00 0.00 C ATOM 532 OD1 ASP A 33 -0.338 -10.949 14.533 1.00 0.00 O ATOM 533 OD2 ASP A 33 -2.251 -11.352 13.465 1.00 0.00 O ATOM 0 H ASP A 33 0.784 -9.219 10.582 1.00 0.00 H new ATOM 0 HA ASP A 33 1.350 -10.110 13.280 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.878 -10.083 11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.393 -11.766 11.579 1.00 0.00 H new ATOM 538 N LYS A 34 2.172 -12.531 12.805 1.00 0.00 N ATOM 539 CA LYS A 34 2.970 -13.721 12.563 1.00 0.00 C ATOM 540 C LYS A 34 2.303 -14.565 11.475 1.00 0.00 C ATOM 541 O LYS A 34 2.796 -14.638 10.351 1.00 0.00 O ATOM 542 CB LYS A 34 3.210 -14.480 13.869 1.00 0.00 C ATOM 543 CG LYS A 34 4.705 -14.694 14.113 1.00 0.00 C ATOM 544 CD LYS A 34 4.977 -16.098 14.656 1.00 0.00 C ATOM 545 CE LYS A 34 5.042 -16.091 16.185 1.00 0.00 C ATOM 546 NZ LYS A 34 5.542 -17.391 16.688 1.00 0.00 N ATOM 0 H LYS A 34 1.774 -12.467 13.742 1.00 0.00 H new ATOM 0 HA LYS A 34 3.959 -13.448 12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.778 -13.924 14.701 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.702 -15.444 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.253 -14.548 13.182 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.072 -13.950 14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.192 -16.778 14.325 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.916 -16.473 14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.696 -15.287 16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.052 -15.891 16.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.580 -17.370 17.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.903 -18.151 16.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.495 -17.566 16.310 1.00 0.00 H new ATOM 560 N ARG A 35 1.191 -15.182 11.848 1.00 0.00 N ATOM 561 CA ARG A 35 0.451 -16.018 10.918 1.00 0.00 C ATOM 562 C ARG A 35 -0.298 -15.150 9.905 1.00 0.00 C ATOM 563 O ARG A 35 -0.903 -15.667 8.966 1.00 0.00 O ATOM 564 CB ARG A 35 -0.551 -16.909 11.655 1.00 0.00 C ATOM 565 CG ARG A 35 -0.879 -18.159 10.837 1.00 0.00 C ATOM 566 CD ARG A 35 -0.869 -19.410 11.718 1.00 0.00 C ATOM 567 NE ARG A 35 -2.211 -20.033 11.727 1.00 0.00 N ATOM 568 CZ ARG A 35 -2.442 -21.313 12.049 1.00 0.00 C ATOM 569 NH1 ARG A 35 -1.423 -22.113 12.390 1.00 0.00 N ATOM 570 NH2 ARG A 35 -3.693 -21.794 12.029 1.00 0.00 N ATOM 0 H ARG A 35 0.785 -15.120 12.782 1.00 0.00 H new ATOM 0 HA ARG A 35 1.169 -16.652 10.398 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.141 -17.200 12.622 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.465 -16.349 11.852 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.858 -18.046 10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.153 -18.271 10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.131 -20.121 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.574 -19.147 12.734 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.010 -19.452 11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.471 -21.748 12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.599 -23.087 12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.469 -21.186 11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.869 -22.768 12.274 1.00 0.00 H new ATOM 584 N LYS A 36 -0.234 -13.846 10.129 1.00 0.00 N ATOM 585 CA LYS A 36 -0.899 -12.901 9.247 1.00 0.00 C ATOM 586 C LYS A 36 0.056 -11.750 8.927 1.00 0.00 C ATOM 587 O LYS A 36 -0.010 -10.692 9.551 1.00 0.00 O ATOM 588 CB LYS A 36 -2.228 -12.447 9.853 1.00 0.00 C ATOM 589 CG LYS A 36 -3.234 -12.083 8.758 1.00 0.00 C ATOM 590 CD LYS A 36 -4.639 -11.914 9.339 1.00 0.00 C ATOM 591 CE LYS A 36 -4.784 -10.561 10.040 1.00 0.00 C ATOM 592 NZ LYS A 36 -4.831 -9.466 9.046 1.00 0.00 N ATOM 0 H LYS A 36 0.268 -13.421 10.909 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.153 -13.377 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.637 -13.241 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.062 -11.586 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.926 -11.159 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.243 -12.861 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.378 -11.996 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.843 -12.718 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.692 -10.552 10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.948 -10.406 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.227 -8.612 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.869 -9.265 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.430 -9.750 8.245 1.00 0.00 H new ATOM 606 N PRO A 37 0.945 -12.001 7.928 1.00 0.00 N ATOM 607 CA PRO A 37 1.912 -10.997 7.518 1.00 0.00 C ATOM 608 C PRO A 37 1.244 -9.896 6.692 1.00 0.00 C ATOM 609 O PRO A 37 0.032 -9.699 6.779 1.00 0.00 O ATOM 610 CB PRO A 37 2.969 -11.765 6.739 1.00 0.00 C ATOM 611 CG PRO A 37 2.321 -13.082 6.345 1.00 0.00 C ATOM 612 CD PRO A 37 1.052 -13.242 7.167 1.00 0.00 C ATOM 0 HA PRO A 37 2.359 -10.474 8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.287 -11.207 5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.857 -11.933 7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.089 -13.090 5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.002 -13.913 6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.182 -13.391 6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.114 -14.107 7.827 1.00 0.00 H new ATOM 620 N TYR A 38 2.062 -9.207 5.910 1.00 0.00 N ATOM 621 CA TYR A 38 1.564 -8.131 5.070 1.00 0.00 C ATOM 622 C TYR A 38 2.445 -7.951 3.832 1.00 0.00 C ATOM 623 O TYR A 38 3.048 -6.895 3.643 1.00 0.00 O ATOM 624 CB TYR A 38 1.637 -6.863 5.923 1.00 0.00 C ATOM 625 CG TYR A 38 0.541 -6.763 6.985 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.721 -7.256 6.722 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.814 -6.182 8.206 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.753 -7.162 7.722 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.218 -6.088 9.206 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.451 -6.583 8.915 1.00 0.00 C ATOM 631 OH TYR A 38 -2.425 -6.495 9.860 1.00 0.00 O ATOM 0 H TYR A 38 3.066 -9.373 5.840 1.00 0.00 H new ATOM 0 HA TYR A 38 0.552 -8.347 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.609 -6.824 6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.575 -5.993 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.935 -7.712 5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.802 -5.798 8.412 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.745 -7.543 7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.017 -5.635 10.165 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.065 -6.060 10.661 1.00 0.00 H new ATOM 641 N SER A 39 2.492 -8.997 3.021 1.00 0.00 N ATOM 642 CA SER A 39 3.289 -8.967 1.806 1.00 0.00 C ATOM 643 C SER A 39 2.591 -8.115 0.743 1.00 0.00 C ATOM 644 O SER A 39 1.589 -7.461 1.027 1.00 0.00 O ATOM 645 CB SER A 39 3.537 -10.380 1.275 1.00 0.00 C ATOM 646 OG SER A 39 4.041 -10.369 -0.058 1.00 0.00 O ATOM 0 H SER A 39 1.991 -9.871 3.181 1.00 0.00 H new ATOM 0 HA SER A 39 4.256 -8.522 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.245 -10.893 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.607 -10.947 1.306 1.00 0.00 H new ATOM 0 HG SER A 39 4.188 -11.290 -0.360 1.00 0.00 H new ATOM 652 N ASP A 40 3.149 -8.151 -0.458 1.00 0.00 N ATOM 653 CA ASP A 40 2.594 -7.391 -1.564 1.00 0.00 C ATOM 654 C ASP A 40 1.155 -7.845 -1.818 1.00 0.00 C ATOM 655 O ASP A 40 0.310 -7.047 -2.221 1.00 0.00 O ATOM 656 CB ASP A 40 3.395 -7.619 -2.847 1.00 0.00 C ATOM 657 CG ASP A 40 3.961 -9.031 -3.013 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.989 -9.311 -2.359 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.353 -9.799 -3.790 1.00 0.00 O ATOM 0 H ASP A 40 3.980 -8.695 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 40 2.632 -6.334 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.755 -7.397 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.220 -6.907 -2.874 1.00 0.00 H new ATOM 664 N GLN A 41 0.920 -9.125 -1.571 1.00 0.00 N ATOM 665 CA GLN A 41 -0.402 -9.695 -1.767 1.00 0.00 C ATOM 666 C GLN A 41 -1.398 -9.076 -0.785 1.00 0.00 C ATOM 667 O GLN A 41 -2.442 -8.569 -1.192 1.00 0.00 O ATOM 668 CB GLN A 41 -0.368 -11.219 -1.627 1.00 0.00 C ATOM 669 CG GLN A 41 -1.552 -11.719 -0.797 1.00 0.00 C ATOM 670 CD GLN A 41 -2.881 -11.362 -1.465 1.00 0.00 C ATOM 671 OE1 GLN A 41 -2.934 -10.899 -2.593 1.00 0.00 O ATOM 672 NE2 GLN A 41 -3.948 -11.601 -0.708 1.00 0.00 N ATOM 0 H GLN A 41 1.623 -9.784 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.730 -9.463 -2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.391 -11.679 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.566 -11.524 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.483 -12.800 -0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.513 -11.280 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.833 -11.990 0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.882 -11.396 -1.063 1.00 0.00 H new ATOM 681 N GLU A 42 -1.041 -9.138 0.489 1.00 0.00 N ATOM 682 CA GLU A 42 -1.890 -8.590 1.532 1.00 0.00 C ATOM 683 C GLU A 42 -2.086 -7.087 1.322 1.00 0.00 C ATOM 684 O GLU A 42 -3.189 -6.639 1.013 1.00 0.00 O ATOM 685 CB GLU A 42 -1.312 -8.878 2.919 1.00 0.00 C ATOM 686 CG GLU A 42 -2.420 -9.235 3.912 1.00 0.00 C ATOM 687 CD GLU A 42 -2.988 -7.978 4.573 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.475 -6.885 4.250 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.923 -8.138 5.388 1.00 0.00 O ATOM 0 H GLU A 42 -0.174 -9.560 0.823 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.864 -9.076 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.597 -9.699 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.765 -8.006 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.217 -9.771 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.027 -9.906 4.676 1.00 0.00 H new ATOM 696 N ILE A 43 -0.999 -6.350 1.498 1.00 0.00 N ATOM 697 CA ILE A 43 -1.038 -4.907 1.332 1.00 0.00 C ATOM 698 C ILE A 43 -1.874 -4.563 0.097 1.00 0.00 C ATOM 699 O ILE A 43 -2.744 -3.696 0.155 1.00 0.00 O ATOM 700 CB ILE A 43 0.380 -4.334 1.293 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.743 -3.680 2.628 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.550 -3.370 0.117 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.137 -4.110 3.088 1.00 0.00 C ATOM 0 H ILE A 43 -0.086 -6.725 1.754 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.524 -4.438 2.188 1.00 0.00 H new ATOM 0 HB ILE A 43 1.077 -5.157 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.708 -2.595 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.006 -3.954 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.567 -2.977 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.361 -3.899 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.157 -2.546 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.370 -3.631 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.162 -5.193 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.874 -3.813 2.342 1.00 0.00 H new ATOM 715 N ALA A 44 -1.580 -5.261 -0.990 1.00 0.00 N ATOM 716 CA ALA A 44 -2.294 -5.040 -2.237 1.00 0.00 C ATOM 717 C ALA A 44 -3.796 -5.194 -1.993 1.00 0.00 C ATOM 718 O ALA A 44 -4.593 -4.392 -2.478 1.00 0.00 O ATOM 719 CB ALA A 44 -1.773 -6.007 -3.302 1.00 0.00 C ATOM 0 H ALA A 44 -0.858 -5.980 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.122 -4.028 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.308 -5.841 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.708 -5.836 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.931 -7.033 -2.970 1.00 0.00 H new ATOM 725 N ASN A 45 -4.138 -6.231 -1.242 1.00 0.00 N ATOM 726 CA ASN A 45 -5.531 -6.501 -0.929 1.00 0.00 C ATOM 727 C ASN A 45 -6.072 -5.388 -0.029 1.00 0.00 C ATOM 728 O ASN A 45 -7.240 -5.018 -0.128 1.00 0.00 O ATOM 729 CB ASN A 45 -5.680 -7.828 -0.182 1.00 0.00 C ATOM 730 CG ASN A 45 -5.835 -8.994 -1.160 1.00 0.00 C ATOM 731 OD1 ASN A 45 -6.911 -9.534 -1.358 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.703 -9.350 -1.761 1.00 0.00 N ATOM 0 H ASN A 45 -3.474 -6.894 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.084 -6.551 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.808 -7.993 0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.548 -7.783 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.702 -10.117 -2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.836 -8.856 -1.550 1.00 0.00 H new ATOM 739 N ILE A 46 -5.195 -4.887 0.829 1.00 0.00 N ATOM 740 CA ILE A 46 -5.570 -3.824 1.746 1.00 0.00 C ATOM 741 C ILE A 46 -5.920 -2.566 0.947 1.00 0.00 C ATOM 742 O ILE A 46 -6.957 -1.947 1.180 1.00 0.00 O ATOM 743 CB ILE A 46 -4.472 -3.604 2.789 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.572 -4.634 3.916 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.500 -2.169 3.320 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.439 -4.452 4.927 1.00 0.00 C ATOM 0 H ILE A 46 -4.227 -5.197 0.908 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.461 -4.103 2.308 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.506 -3.750 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.533 -4.535 4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.533 -5.640 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.710 -2.039 4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.344 -1.473 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.467 -1.971 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.534 -5.197 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.480 -4.576 4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.495 -3.453 5.361 1.00 0.00 H new ATOM 758 N LEU A 47 -5.035 -2.227 0.022 1.00 0.00 N ATOM 759 CA LEU A 47 -5.237 -1.054 -0.812 1.00 0.00 C ATOM 760 C LEU A 47 -6.574 -1.180 -1.546 1.00 0.00 C ATOM 761 O LEU A 47 -7.194 -0.175 -1.890 1.00 0.00 O ATOM 762 CB LEU A 47 -4.042 -0.848 -1.745 1.00 0.00 C ATOM 763 CG LEU A 47 -2.720 -0.476 -1.069 1.00 0.00 C ATOM 764 CD1 LEU A 47 -2.858 -0.498 0.454 1.00 0.00 C ATOM 765 CD2 LEU A 47 -1.583 -1.377 -1.555 1.00 0.00 C ATOM 0 H LEU A 47 -4.176 -2.744 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.292 -0.155 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.890 -1.764 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.295 -0.065 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.466 0.545 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.905 -0.230 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.621 0.218 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.147 -1.498 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.655 -1.091 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.816 -2.415 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.467 -1.267 -2.633 1.00 0.00 H new ATOM 777 N LYS A 48 -6.979 -2.423 -1.762 1.00 0.00 N ATOM 778 CA LYS A 48 -8.231 -2.693 -2.448 1.00 0.00 C ATOM 779 C LYS A 48 -9.375 -2.002 -1.703 1.00 0.00 C ATOM 780 O LYS A 48 -10.437 -1.759 -2.275 1.00 0.00 O ATOM 781 CB LYS A 48 -8.433 -4.200 -2.622 1.00 0.00 C ATOM 782 CG LYS A 48 -8.785 -4.542 -4.071 1.00 0.00 C ATOM 783 CD LYS A 48 -7.632 -5.279 -4.756 1.00 0.00 C ATOM 784 CE LYS A 48 -8.128 -6.058 -5.976 1.00 0.00 C ATOM 785 NZ LYS A 48 -7.449 -5.585 -7.203 1.00 0.00 N ATOM 0 H LYS A 48 -6.462 -3.254 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.210 -2.279 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.525 -4.728 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.228 -4.543 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.682 -5.161 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.014 -3.628 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.869 -4.563 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.162 -5.963 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.940 -7.123 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.206 -5.936 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.797 -6.124 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.650 -4.574 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.423 -5.724 -7.108 1.00 0.00 H new ATOM 799 N GLU A 49 -9.120 -1.704 -0.437 1.00 0.00 N ATOM 800 CA GLU A 49 -10.115 -1.045 0.392 1.00 0.00 C ATOM 801 C GLU A 49 -10.416 0.353 -0.151 1.00 0.00 C ATOM 802 O GLU A 49 -11.234 1.079 0.413 1.00 0.00 O ATOM 803 CB GLU A 49 -9.658 -0.981 1.850 1.00 0.00 C ATOM 804 CG GLU A 49 -9.551 -2.382 2.454 1.00 0.00 C ATOM 805 CD GLU A 49 -10.385 -2.494 3.732 1.00 0.00 C ATOM 806 OE1 GLU A 49 -9.914 -1.970 4.765 1.00 0.00 O ATOM 807 OE2 GLU A 49 -11.475 -3.100 3.648 1.00 0.00 O ATOM 0 H GLU A 49 -8.239 -1.907 0.035 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.033 -1.631 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.691 -0.481 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.362 -0.384 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.890 -3.121 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.508 -2.608 2.675 1.00 0.00 H new ATOM 885 N VAL A 54 -3.598 0.304 -5.633 1.00 0.00 N ATOM 886 CA VAL A 54 -2.339 -0.251 -6.100 1.00 0.00 C ATOM 887 C VAL A 54 -2.618 -1.503 -6.934 1.00 0.00 C ATOM 888 O VAL A 54 -3.582 -1.544 -7.697 1.00 0.00 O ATOM 889 CB VAL A 54 -1.412 -0.517 -4.913 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.056 -0.469 -5.341 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.684 0.467 -3.773 1.00 0.00 C ATOM 0 HA VAL A 54 -1.823 0.461 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.620 -1.522 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.693 -0.661 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.238 -1.227 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.284 0.516 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.011 0.256 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.518 1.485 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.717 0.362 -3.440 1.00 0.00 H new ATOM 901 N ALA A 55 -1.755 -2.494 -6.761 1.00 0.00 N ATOM 902 CA ALA A 55 -1.896 -3.744 -7.488 1.00 0.00 C ATOM 903 C ALA A 55 -0.712 -4.656 -7.160 1.00 0.00 C ATOM 904 O ALA A 55 0.436 -4.215 -7.166 1.00 0.00 O ATOM 905 CB ALA A 55 -2.011 -3.454 -8.986 1.00 0.00 C ATOM 0 H ALA A 55 -0.956 -2.456 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.806 -4.263 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.117 -4.392 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.884 -2.827 -9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.114 -2.936 -9.326 1.00 0.00 H new ATOM 911 N ARG A 56 -1.032 -5.911 -6.882 1.00 0.00 N ATOM 912 CA ARG A 56 -0.009 -6.889 -6.552 1.00 0.00 C ATOM 913 C ARG A 56 1.281 -6.587 -7.319 1.00 0.00 C ATOM 914 O ARG A 56 2.376 -6.712 -6.772 1.00 0.00 O ATOM 915 CB ARG A 56 -0.473 -8.307 -6.889 1.00 0.00 C ATOM 916 CG ARG A 56 -0.881 -9.065 -5.624 1.00 0.00 C ATOM 917 CD ARG A 56 -0.666 -10.571 -5.793 1.00 0.00 C ATOM 918 NE ARG A 56 0.732 -10.923 -5.456 1.00 0.00 N ATOM 919 CZ ARG A 56 1.224 -12.169 -5.502 1.00 0.00 C ATOM 920 NH1 ARG A 56 0.436 -13.187 -5.873 1.00 0.00 N ATOM 921 NH2 ARG A 56 2.505 -12.395 -5.179 1.00 0.00 N ATOM 0 H ARG A 56 -1.985 -6.273 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 56 0.177 -6.825 -5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.316 -8.263 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.328 -8.844 -7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.299 -8.704 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.929 -8.867 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.353 -11.119 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.887 -10.866 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 56 1.359 -10.171 -5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.538 -13.014 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.810 -14.135 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.105 -11.619 -4.898 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.880 -13.343 -5.214 1.00 0.00 H new ATOM 935 N ARG A 57 1.108 -6.195 -8.572 1.00 0.00 N ATOM 936 CA ARG A 57 2.245 -5.874 -9.419 1.00 0.00 C ATOM 937 C ARG A 57 3.054 -4.727 -8.810 1.00 0.00 C ATOM 938 O ARG A 57 4.235 -4.888 -8.507 1.00 0.00 O ATOM 939 CB ARG A 57 1.789 -5.477 -10.825 1.00 0.00 C ATOM 940 CG ARG A 57 2.884 -5.759 -11.856 1.00 0.00 C ATOM 941 CD ARG A 57 3.771 -4.530 -12.063 1.00 0.00 C ATOM 942 NE ARG A 57 3.671 -4.064 -13.464 1.00 0.00 N ATOM 943 CZ ARG A 57 4.391 -3.055 -13.974 1.00 0.00 C ATOM 944 NH1 ARG A 57 5.269 -2.401 -13.201 1.00 0.00 N ATOM 945 NH2 ARG A 57 4.234 -2.700 -15.256 1.00 0.00 N ATOM 0 H ARG A 57 0.198 -6.092 -9.022 1.00 0.00 H new ATOM 0 HA ARG A 57 2.868 -6.765 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.886 -6.028 -11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.532 -4.418 -10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.493 -6.600 -11.524 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.430 -6.048 -12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.467 -3.734 -11.384 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.806 -4.774 -11.825 1.00 0.00 H new ATOM 0 HE ARG A 57 3.013 -4.541 -14.080 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.389 -2.671 -12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.817 -1.633 -13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.566 -3.198 -15.845 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.782 -1.932 -15.643 1.00 0.00 H new ATOM 959 N THR A 58 2.385 -3.595 -8.648 1.00 0.00 N ATOM 960 CA THR A 58 3.027 -2.421 -8.080 1.00 0.00 C ATOM 961 C THR A 58 3.518 -2.716 -6.661 1.00 0.00 C ATOM 962 O THR A 58 4.626 -2.330 -6.291 1.00 0.00 O ATOM 963 CB THR A 58 2.036 -1.259 -8.151 1.00 0.00 C ATOM 964 OG1 THR A 58 2.391 -0.572 -9.348 1.00 0.00 O ATOM 965 CG2 THR A 58 2.265 -0.225 -7.047 1.00 0.00 C ATOM 0 H THR A 58 1.405 -3.466 -8.900 1.00 0.00 H new ATOM 0 HA THR A 58 3.916 -2.143 -8.646 1.00 0.00 H new ATOM 0 HB THR A 58 1.019 -1.645 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.796 0.197 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.535 0.578 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.153 -0.702 -6.073 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.271 0.186 -7.136 1.00 0.00 H new ATOM 973 N VAL A 59 2.669 -3.397 -5.906 1.00 0.00 N ATOM 974 CA VAL A 59 3.002 -3.748 -4.536 1.00 0.00 C ATOM 975 C VAL A 59 4.244 -4.641 -4.530 1.00 0.00 C ATOM 976 O VAL A 59 5.108 -4.504 -3.665 1.00 0.00 O ATOM 977 CB VAL A 59 1.796 -4.396 -3.853 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.932 -4.340 -2.330 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.490 -3.744 -4.312 1.00 0.00 C ATOM 0 H VAL A 59 1.751 -3.715 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 59 3.242 -2.854 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 59 1.768 -5.445 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.062 -4.807 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.833 -4.872 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.998 -3.301 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.351 -4.223 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.505 -2.683 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.385 -3.860 -5.391 1.00 0.00 H new ATOM 989 N ALA A 60 4.294 -5.537 -5.505 1.00 0.00 N ATOM 990 CA ALA A 60 5.416 -6.453 -5.624 1.00 0.00 C ATOM 991 C ALA A 60 6.718 -5.652 -5.678 1.00 0.00 C ATOM 992 O ALA A 60 7.708 -6.026 -5.050 1.00 0.00 O ATOM 993 CB ALA A 60 5.224 -7.338 -6.856 1.00 0.00 C ATOM 0 H ALA A 60 3.575 -5.648 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 60 5.469 -7.110 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.066 -8.025 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.300 -7.907 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.169 -6.713 -7.748 1.00 0.00 H new ATOM 999 N LYS A 61 6.677 -4.565 -6.434 1.00 0.00 N ATOM 1000 CA LYS A 61 7.842 -3.709 -6.578 1.00 0.00 C ATOM 1001 C LYS A 61 8.195 -3.102 -5.219 1.00 0.00 C ATOM 1002 O LYS A 61 9.366 -3.046 -4.845 1.00 0.00 O ATOM 1003 CB LYS A 61 7.609 -2.667 -7.675 1.00 0.00 C ATOM 1004 CG LYS A 61 7.458 -3.336 -9.043 1.00 0.00 C ATOM 1005 CD LYS A 61 8.825 -3.644 -9.656 1.00 0.00 C ATOM 1006 CE LYS A 61 9.182 -5.122 -9.486 1.00 0.00 C ATOM 1007 NZ LYS A 61 10.611 -5.272 -9.129 1.00 0.00 N ATOM 0 H LYS A 61 5.855 -4.257 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 61 8.705 -4.291 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.713 -2.089 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.443 -1.966 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.886 -4.258 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.895 -2.684 -9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.819 -3.387 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.587 -3.025 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.559 -5.566 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.973 -5.661 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.837 -6.281 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.202 -4.866 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.800 -4.774 -8.236 1.00 0.00 H new ATOM 1021 N TYR A 62 7.161 -2.663 -4.516 1.00 0.00 N ATOM 1022 CA TYR A 62 7.348 -2.062 -3.207 1.00 0.00 C ATOM 1023 C TYR A 62 7.924 -3.076 -2.216 1.00 0.00 C ATOM 1024 O TYR A 62 8.722 -2.719 -1.351 1.00 0.00 O ATOM 1025 CB TYR A 62 5.955 -1.640 -2.734 1.00 0.00 C ATOM 1026 CG TYR A 62 5.560 -0.222 -3.149 1.00 0.00 C ATOM 1027 CD1 TYR A 62 6.475 0.807 -3.049 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.289 0.030 -3.624 1.00 0.00 C ATOM 1029 CE1 TYR A 62 6.104 2.142 -3.440 1.00 0.00 C ATOM 1030 CE2 TYR A 62 3.917 1.365 -4.015 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.843 2.355 -3.904 1.00 0.00 C ATOM 1032 OH TYR A 62 4.492 3.616 -4.273 1.00 0.00 O ATOM 0 H TYR A 62 6.191 -2.712 -4.829 1.00 0.00 H new ATOM 0 HA TYR A 62 8.042 -1.223 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.220 -2.341 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.914 -1.714 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.470 0.610 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.573 -0.775 -3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.810 2.956 -3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.925 1.575 -4.388 1.00 0.00 H new ATOM 0 HH TYR A 62 4.832 4.256 -3.613 1.00 0.00 H new ATOM 1042 N ARG A 63 7.497 -4.320 -2.375 1.00 0.00 N ATOM 1043 CA ARG A 63 7.960 -5.387 -1.505 1.00 0.00 C ATOM 1044 C ARG A 63 9.490 -5.430 -1.486 1.00 0.00 C ATOM 1045 O ARG A 63 10.096 -5.597 -0.429 1.00 0.00 O ATOM 1046 CB ARG A 63 7.425 -6.745 -1.966 1.00 0.00 C ATOM 1047 CG ARG A 63 7.846 -7.856 -1.002 1.00 0.00 C ATOM 1048 CD ARG A 63 8.736 -8.883 -1.705 1.00 0.00 C ATOM 1049 NE ARG A 63 9.957 -9.127 -0.904 1.00 0.00 N ATOM 1050 CZ ARG A 63 10.790 -10.158 -1.100 1.00 0.00 C ATOM 1051 NH1 ARG A 63 10.540 -11.047 -2.071 1.00 0.00 N ATOM 1052 NH2 ARG A 63 11.874 -10.300 -0.325 1.00 0.00 N ATOM 0 H ARG A 63 6.835 -4.613 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 63 7.586 -5.183 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.338 -6.708 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.797 -6.966 -2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.381 -7.425 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.961 -8.350 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.189 -9.816 -1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.008 -8.522 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 63 10.178 -8.469 -0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.715 -10.939 -2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.174 -11.832 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.065 -9.623 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.508 -11.085 -0.474 1.00 0.00 H new ATOM 1066 N GLU A 64 10.069 -5.274 -2.667 1.00 0.00 N ATOM 1067 CA GLU A 64 11.516 -5.293 -2.799 1.00 0.00 C ATOM 1068 C GLU A 64 12.121 -4.025 -2.190 1.00 0.00 C ATOM 1069 O GLU A 64 13.161 -4.082 -1.536 1.00 0.00 O ATOM 1070 CB GLU A 64 11.932 -5.450 -4.263 1.00 0.00 C ATOM 1071 CG GLU A 64 13.333 -6.055 -4.373 1.00 0.00 C ATOM 1072 CD GLU A 64 13.790 -6.115 -5.832 1.00 0.00 C ATOM 1073 OE1 GLU A 64 12.967 -6.546 -6.668 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.953 -5.729 -6.078 1.00 0.00 O ATOM 0 H GLU A 64 9.563 -5.134 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 64 11.900 -6.155 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.215 -6.086 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.912 -4.478 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.037 -5.460 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.335 -7.058 -3.946 1.00 0.00 H new ATOM 1081 N MET A 65 11.443 -2.912 -2.428 1.00 0.00 N ATOM 1082 CA MET A 65 11.900 -1.633 -1.911 1.00 0.00 C ATOM 1083 C MET A 65 11.778 -1.582 -0.387 1.00 0.00 C ATOM 1084 O MET A 65 12.474 -0.808 0.269 1.00 0.00 O ATOM 1085 CB MET A 65 11.069 -0.507 -2.528 1.00 0.00 C ATOM 1086 CG MET A 65 11.254 -0.456 -4.046 1.00 0.00 C ATOM 1087 SD MET A 65 10.479 1.009 -4.708 1.00 0.00 S ATOM 1088 CE MET A 65 9.014 0.287 -5.428 1.00 0.00 C ATOM 0 H MET A 65 10.581 -2.869 -2.972 1.00 0.00 H new ATOM 0 HA MET A 65 12.950 -1.509 -2.176 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.016 -0.656 -2.291 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.362 0.447 -2.090 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.316 -0.458 -4.291 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.820 -1.345 -4.503 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.187 0.993 -5.355 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.201 0.054 -6.476 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.758 -0.627 -4.893 1.00 0.00 H new ATOM 1098 N LEU A 66 10.890 -2.416 0.132 1.00 0.00 N ATOM 1099 CA LEU A 66 10.668 -2.476 1.566 1.00 0.00 C ATOM 1100 C LEU A 66 10.196 -3.881 1.947 1.00 0.00 C ATOM 1101 O LEU A 66 9.061 -4.060 2.388 1.00 0.00 O ATOM 1102 CB LEU A 66 9.712 -1.366 2.007 1.00 0.00 C ATOM 1103 CG LEU A 66 8.251 -1.531 1.585 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.320 -1.476 2.797 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.868 -0.500 0.521 1.00 0.00 C ATOM 0 H LEU A 66 10.315 -3.056 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 66 11.599 -2.296 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.749 -1.293 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.079 -0.419 1.611 1.00 0.00 H new ATOM 0 HG LEU A 66 8.135 -2.517 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.288 -1.596 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.576 -2.278 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.432 -0.515 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.824 -0.639 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.005 0.504 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.502 -0.630 -0.356 1.00 0.00 H new