USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot -170:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00237 K(o=-0.0024,f=-0.55) USER MOD Single : A 28 ASN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 30 MET CE :methyl 152:sc= 0 (180deg=-1.59) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 37 MET CE :methyl -164:sc= -0.339 (180deg=-1.14) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.17) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.12) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -133:sc= -1.58 (180deg=-2.41!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.172 K(o=-0.17,f=-3.3!) USER MOD Single : A 59 TYR OH : rot -11:sc= 0.728 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.117 6.087 13.741 1.00 0.00 N ATOM 331 CA ASP A 23 -14.822 4.961 14.379 1.00 0.00 C ATOM 332 C ASP A 23 -13.994 3.657 14.412 1.00 0.00 C ATOM 333 O ASP A 23 -14.175 2.823 15.306 1.00 0.00 O ATOM 334 CB ASP A 23 -16.165 4.723 13.676 1.00 0.00 C ATOM 335 CG ASP A 23 -17.089 5.949 13.759 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.748 6.148 14.810 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.165 6.717 12.768 1.00 0.00 O ATOM 0 HA ASP A 23 -14.988 5.242 15.419 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.987 4.475 12.630 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.662 3.864 14.127 1.00 0.00 H new ATOM 342 N THR A 24 -13.034 3.503 13.492 1.00 0.00 N ATOM 343 CA THR A 24 -12.086 2.377 13.452 1.00 0.00 C ATOM 344 C THR A 24 -11.203 2.294 14.708 1.00 0.00 C ATOM 345 O THR A 24 -10.821 1.195 15.111 1.00 0.00 O ATOM 346 CB THR A 24 -11.205 2.430 12.188 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.998 2.568 11.027 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.364 1.169 11.992 1.00 0.00 C ATOM 0 H THR A 24 -12.889 4.172 12.736 1.00 0.00 H new ATOM 0 HA THR A 24 -12.695 1.473 13.423 1.00 0.00 H new ATOM 0 HB THR A 24 -10.549 3.288 12.335 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.419 2.601 10.237 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.766 1.268 11.086 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.704 1.035 12.849 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.021 0.304 11.901 1.00 0.00 H new ATOM 356 N ILE A 25 -10.930 3.422 15.381 1.00 0.00 N ATOM 357 CA ILE A 25 -10.184 3.477 16.653 1.00 0.00 C ATOM 358 C ILE A 25 -10.865 2.604 17.718 1.00 0.00 C ATOM 359 O ILE A 25 -10.199 1.820 18.399 1.00 0.00 O ATOM 360 CB ILE A 25 -10.023 4.941 17.140 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.184 5.776 16.139 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.382 4.989 18.541 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.260 7.290 16.364 1.00 0.00 C ATOM 0 H ILE A 25 -11.226 4.341 15.052 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.185 3.077 16.481 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.020 5.378 17.199 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.142 5.462 16.205 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.520 5.553 15.126 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.280 6.027 18.859 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.014 4.453 19.249 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.398 4.522 18.507 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.645 7.799 15.622 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.294 7.621 16.267 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.895 7.528 17.363 1.00 0.00 H new ATOM 375 N PHE A 26 -12.190 2.717 17.855 1.00 0.00 N ATOM 376 CA PHE A 26 -12.970 1.934 18.819 1.00 0.00 C ATOM 377 C PHE A 26 -13.137 0.469 18.379 1.00 0.00 C ATOM 378 O PHE A 26 -13.022 -0.438 19.207 1.00 0.00 O ATOM 379 CB PHE A 26 -14.337 2.607 19.071 1.00 0.00 C ATOM 380 CG PHE A 26 -14.659 2.842 20.541 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.546 1.795 21.480 1.00 0.00 C ATOM 382 CD2 PHE A 26 -15.073 4.117 20.977 1.00 0.00 C ATOM 383 CE1 PHE A 26 -14.822 2.028 22.840 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.358 4.346 22.335 1.00 0.00 C ATOM 385 CZ PHE A 26 -15.228 3.304 23.269 1.00 0.00 C ATOM 0 H PHE A 26 -12.755 3.358 17.297 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.415 1.913 19.757 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.360 3.564 18.549 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -15.120 1.987 18.634 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.246 0.810 21.153 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.172 4.922 20.264 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.722 1.225 23.556 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.677 5.325 22.661 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.439 3.483 24.313 1.00 0.00 H new ATOM 395 N GLN A 27 -13.399 0.216 17.088 1.00 0.00 N ATOM 396 CA GLN A 27 -13.667 -1.141 16.583 1.00 0.00 C ATOM 397 C GLN A 27 -12.429 -2.063 16.568 1.00 0.00 C ATOM 398 O GLN A 27 -12.586 -3.286 16.552 1.00 0.00 O ATOM 399 CB GLN A 27 -14.367 -1.076 15.206 1.00 0.00 C ATOM 400 CG GLN A 27 -13.436 -1.197 13.982 1.00 0.00 C ATOM 401 CD GLN A 27 -14.109 -0.880 12.644 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.242 -0.423 12.551 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.433 -1.113 11.539 1.00 0.00 N ATOM 0 H GLN A 27 -13.431 0.939 16.369 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.346 -1.609 17.296 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.109 -1.873 15.157 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.908 -0.132 15.137 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.589 -0.525 14.117 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.036 -2.210 13.943 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.488 -1.493 11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.854 -0.913 10.632 1.00 0.00 H new ATOM 412 N ASN A 28 -11.212 -1.501 16.559 1.00 0.00 N ATOM 413 CA ASN A 28 -9.965 -2.233 16.313 1.00 0.00 C ATOM 414 C ASN A 28 -8.901 -1.959 17.410 1.00 0.00 C ATOM 415 O ASN A 28 -8.184 -0.959 17.333 1.00 0.00 O ATOM 416 CB ASN A 28 -9.491 -1.928 14.872 1.00 0.00 C ATOM 417 CG ASN A 28 -8.998 -3.192 14.198 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.717 -3.855 13.466 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.785 -3.610 14.483 1.00 0.00 N ATOM 0 H ASN A 28 -11.066 -0.505 16.726 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.139 -3.307 16.383 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.311 -1.498 14.296 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.693 -1.186 14.895 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.443 -4.488 14.093 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.185 -3.056 15.094 1.00 0.00 H new ATOM 426 N PRO A 29 -8.750 -2.826 18.436 1.00 0.00 N ATOM 427 CA PRO A 29 -7.921 -2.543 19.621 1.00 0.00 C ATOM 428 C PRO A 29 -6.410 -2.460 19.336 1.00 0.00 C ATOM 429 O PRO A 29 -5.666 -1.851 20.108 1.00 0.00 O ATOM 430 CB PRO A 29 -8.247 -3.660 20.619 1.00 0.00 C ATOM 431 CG PRO A 29 -8.681 -4.822 19.728 1.00 0.00 C ATOM 432 CD PRO A 29 -9.401 -4.122 18.579 1.00 0.00 C ATOM 0 HA PRO A 29 -8.157 -1.552 20.008 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.380 -3.922 21.225 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.039 -3.365 21.307 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.828 -5.402 19.376 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.339 -5.512 20.256 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.326 -4.702 17.659 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.463 -4.005 18.796 1.00 0.00 H new ATOM 440 N MET A 30 -5.955 -2.995 18.196 1.00 0.00 N ATOM 441 CA MET A 30 -4.586 -2.848 17.676 1.00 0.00 C ATOM 442 C MET A 30 -4.165 -1.377 17.489 1.00 0.00 C ATOM 443 O MET A 30 -2.974 -1.070 17.539 1.00 0.00 O ATOM 444 CB MET A 30 -4.467 -3.572 16.326 1.00 0.00 C ATOM 445 CG MET A 30 -4.734 -5.082 16.393 1.00 0.00 C ATOM 446 SD MET A 30 -4.973 -5.889 14.780 1.00 0.00 S ATOM 447 CE MET A 30 -3.419 -5.477 13.942 1.00 0.00 C ATOM 0 H MET A 30 -6.548 -3.561 17.589 1.00 0.00 H new ATOM 0 HA MET A 30 -3.920 -3.288 18.419 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.168 -3.122 15.623 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.466 -3.409 15.927 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.899 -5.562 16.903 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.621 -5.253 17.004 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.184 -6.250 13.210 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.522 -4.517 13.436 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.615 -5.416 14.676 1.00 0.00 H new ATOM 457 N VAL A 31 -5.128 -0.463 17.303 1.00 0.00 N ATOM 458 CA VAL A 31 -4.890 0.983 17.192 1.00 0.00 C ATOM 459 C VAL A 31 -4.218 1.526 18.453 1.00 0.00 C ATOM 460 O VAL A 31 -3.109 2.041 18.378 1.00 0.00 O ATOM 461 CB VAL A 31 -6.190 1.746 16.868 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.983 3.263 16.878 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.720 1.360 15.482 1.00 0.00 C ATOM 0 H VAL A 31 -6.114 -0.713 17.224 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.207 1.145 16.358 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.904 1.470 17.644 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.925 3.760 16.645 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.641 3.577 17.864 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.236 3.533 16.132 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.638 1.911 15.277 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.973 1.604 14.726 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.926 0.290 15.456 1.00 0.00 H new ATOM 473 N GLN A 32 -4.848 1.366 19.620 1.00 0.00 N ATOM 474 CA GLN A 32 -4.353 1.857 20.915 1.00 0.00 C ATOM 475 C GLN A 32 -2.904 1.413 21.185 1.00 0.00 C ATOM 476 O GLN A 32 -2.064 2.218 21.590 1.00 0.00 O ATOM 477 CB GLN A 32 -5.288 1.356 22.032 1.00 0.00 C ATOM 478 CG GLN A 32 -6.733 1.889 21.958 1.00 0.00 C ATOM 479 CD GLN A 32 -6.911 3.322 22.463 1.00 0.00 C ATOM 480 OE1 GLN A 32 -5.975 4.085 22.667 1.00 0.00 O ATOM 481 NE2 GLN A 32 -8.135 3.745 22.706 1.00 0.00 N ATOM 0 H GLN A 32 -5.741 0.879 19.695 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.350 2.947 20.892 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.316 0.267 22.001 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.862 1.636 22.995 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.072 1.838 20.923 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.379 1.230 22.538 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.930 3.127 22.543 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.288 4.691 23.057 1.00 0.00 H new ATOM 490 N GLU A 33 -2.600 0.142 20.907 1.00 0.00 N ATOM 491 CA GLU A 33 -1.261 -0.452 21.023 1.00 0.00 C ATOM 492 C GLU A 33 -0.221 0.199 20.089 1.00 0.00 C ATOM 493 O GLU A 33 0.926 0.391 20.498 1.00 0.00 O ATOM 494 CB GLU A 33 -1.390 -1.964 20.772 1.00 0.00 C ATOM 495 CG GLU A 33 -0.074 -2.758 20.805 1.00 0.00 C ATOM 496 CD GLU A 33 0.703 -2.656 22.137 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.085 -2.453 23.211 1.00 0.00 O ATOM 498 OE2 GLU A 33 1.947 -2.823 22.124 1.00 0.00 O ATOM 0 H GLU A 33 -3.301 -0.525 20.584 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.881 -0.266 22.028 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.064 -2.382 21.520 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.860 -2.114 19.800 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.292 -3.807 20.606 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.568 -2.407 19.997 1.00 0.00 H new ATOM 505 N ALA A 34 -0.597 0.584 18.863 1.00 0.00 N ATOM 506 CA ALA A 34 0.283 1.308 17.944 1.00 0.00 C ATOM 507 C ALA A 34 0.673 2.700 18.489 1.00 0.00 C ATOM 508 O ALA A 34 1.865 2.981 18.626 1.00 0.00 O ATOM 509 CB ALA A 34 -0.355 1.367 16.552 1.00 0.00 C ATOM 0 H ALA A 34 -1.525 0.400 18.481 1.00 0.00 H new ATOM 0 HA ALA A 34 1.222 0.762 17.855 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.304 1.907 15.872 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.510 0.354 16.179 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.314 1.882 16.613 1.00 0.00 H new ATOM 515 N ILE A 35 -0.290 3.558 18.868 1.00 0.00 N ATOM 516 CA ILE A 35 0.020 4.866 19.495 1.00 0.00 C ATOM 517 C ILE A 35 0.903 4.698 20.744 1.00 0.00 C ATOM 518 O ILE A 35 1.849 5.464 20.933 1.00 0.00 O ATOM 519 CB ILE A 35 -1.254 5.689 19.817 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.962 6.171 18.529 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.937 6.934 20.669 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.197 5.333 18.208 1.00 0.00 C ATOM 0 H ILE A 35 -1.287 3.375 18.754 1.00 0.00 H new ATOM 0 HA ILE A 35 0.585 5.435 18.757 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.905 5.016 20.375 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.252 7.215 18.644 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.265 6.124 17.693 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.858 7.481 20.871 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.485 6.625 21.611 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.244 7.578 20.128 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.663 5.706 17.296 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.904 4.293 18.066 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.907 5.401 19.032 1.00 0.00 H new ATOM 534 N ARG A 36 0.654 3.669 21.566 1.00 0.00 N ATOM 535 CA ARG A 36 1.436 3.357 22.775 1.00 0.00 C ATOM 536 C ARG A 36 2.931 3.082 22.518 1.00 0.00 C ATOM 537 O ARG A 36 3.735 3.295 23.425 1.00 0.00 O ATOM 538 CB ARG A 36 0.725 2.219 23.532 1.00 0.00 C ATOM 539 CG ARG A 36 1.382 1.856 24.874 1.00 0.00 C ATOM 540 CD ARG A 36 0.476 0.959 25.731 1.00 0.00 C ATOM 541 NE ARG A 36 -0.680 1.700 26.284 1.00 0.00 N ATOM 542 CZ ARG A 36 -0.702 2.487 27.346 1.00 0.00 C ATOM 543 NH1 ARG A 36 0.358 2.698 28.078 1.00 0.00 N ATOM 544 NH2 ARG A 36 -1.800 3.089 27.701 1.00 0.00 N ATOM 0 H ARG A 36 -0.113 3.015 21.407 1.00 0.00 H new ATOM 0 HA ARG A 36 1.464 4.248 23.402 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.311 2.508 23.712 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.703 1.333 22.898 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.328 1.346 24.689 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.614 2.768 25.423 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.117 0.126 25.127 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.057 0.533 26.549 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.564 1.590 25.787 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.242 2.249 27.837 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.303 3.312 28.891 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.653 2.955 27.158 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.807 3.694 28.522 1.00 0.00 H new ATOM 558 N MET A 37 3.336 2.696 21.301 1.00 0.00 N ATOM 559 CA MET A 37 4.758 2.595 20.914 1.00 0.00 C ATOM 560 C MET A 37 5.411 3.936 20.514 1.00 0.00 C ATOM 561 O MET A 37 6.630 3.992 20.335 1.00 0.00 O ATOM 562 CB MET A 37 4.957 1.587 19.771 1.00 0.00 C ATOM 563 CG MET A 37 4.462 0.172 20.098 1.00 0.00 C ATOM 564 SD MET A 37 5.419 -1.176 19.336 1.00 0.00 S ATOM 565 CE MET A 37 5.626 -0.553 17.643 1.00 0.00 C ATOM 0 H MET A 37 2.690 2.444 20.553 1.00 0.00 H new ATOM 0 HA MET A 37 5.259 2.252 21.819 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.434 1.949 18.885 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.017 1.542 19.520 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.476 0.040 21.180 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.423 0.084 19.779 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.933 -1.370 16.990 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.681 -0.141 17.289 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.388 0.226 17.633 1.00 0.00 H new ATOM 575 N GLY A 38 4.632 5.016 20.371 1.00 0.00 N ATOM 576 CA GLY A 38 5.096 6.372 20.037 1.00 0.00 C ATOM 577 C GLY A 38 4.577 6.941 18.706 1.00 0.00 C ATOM 578 O GLY A 38 4.903 8.082 18.369 1.00 0.00 O ATOM 0 H GLY A 38 3.620 4.969 20.489 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.800 7.047 20.840 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.186 6.368 20.010 1.00 0.00 H new ATOM 582 N PHE A 39 3.782 6.182 17.939 1.00 0.00 N ATOM 583 CA PHE A 39 3.112 6.669 16.722 1.00 0.00 C ATOM 584 C PHE A 39 2.006 7.708 17.022 1.00 0.00 C ATOM 585 O PHE A 39 1.557 7.861 18.161 1.00 0.00 O ATOM 586 CB PHE A 39 2.524 5.474 15.956 1.00 0.00 C ATOM 587 CG PHE A 39 3.529 4.554 15.284 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.186 4.970 14.109 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.760 3.258 15.783 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.069 4.097 13.448 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.634 2.383 15.116 1.00 0.00 C ATOM 592 CZ PHE A 39 5.286 2.802 13.948 1.00 0.00 C ATOM 0 H PHE A 39 3.583 5.203 18.147 1.00 0.00 H new ATOM 0 HA PHE A 39 3.860 7.178 16.114 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.926 4.882 16.649 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.844 5.855 15.194 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.011 5.960 13.715 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.262 2.934 16.685 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.581 4.423 12.555 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.803 1.389 15.503 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.955 2.129 13.432 1.00 0.00 H new ATOM 602 N SER A 40 1.532 8.406 15.985 1.00 0.00 N ATOM 603 CA SER A 40 0.456 9.413 16.056 1.00 0.00 C ATOM 604 C SER A 40 -0.918 8.814 15.735 1.00 0.00 C ATOM 605 O SER A 40 -1.041 8.050 14.778 1.00 0.00 O ATOM 606 CB SER A 40 0.735 10.532 15.046 1.00 0.00 C ATOM 607 OG SER A 40 1.932 11.221 15.367 1.00 0.00 O ATOM 0 H SER A 40 1.895 8.285 15.040 1.00 0.00 H new ATOM 0 HA SER A 40 0.439 9.795 17.077 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.812 10.111 14.044 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.100 11.233 15.035 1.00 0.00 H new ATOM 0 HG SER A 40 2.089 11.929 14.707 1.00 0.00 H new ATOM 613 N PHE A 41 -1.973 9.211 16.464 1.00 0.00 N ATOM 614 CA PHE A 41 -3.363 8.765 16.233 1.00 0.00 C ATOM 615 C PHE A 41 -3.811 8.933 14.775 1.00 0.00 C ATOM 616 O PHE A 41 -4.348 7.992 14.185 1.00 0.00 O ATOM 617 CB PHE A 41 -4.336 9.490 17.187 1.00 0.00 C ATOM 618 CG PHE A 41 -4.762 8.676 18.394 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.727 7.660 18.245 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.209 8.928 19.664 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.126 6.894 19.354 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.609 8.160 20.775 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.565 7.141 20.619 1.00 0.00 C ATOM 0 H PHE A 41 -1.886 9.862 17.245 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.385 7.696 16.446 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.866 10.410 17.534 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.226 9.778 16.627 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.162 7.469 17.275 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.476 9.712 19.787 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.864 6.115 19.234 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.181 8.354 21.747 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.868 6.549 21.470 1.00 0.00 H new ATOM 633 N LYS A 42 -3.540 10.108 14.186 1.00 0.00 N ATOM 634 CA LYS A 42 -3.795 10.451 12.777 1.00 0.00 C ATOM 635 C LYS A 42 -3.214 9.419 11.810 1.00 0.00 C ATOM 636 O LYS A 42 -3.904 8.967 10.901 1.00 0.00 O ATOM 637 CB LYS A 42 -3.263 11.870 12.504 1.00 0.00 C ATOM 638 CG LYS A 42 -3.495 12.360 11.058 1.00 0.00 C ATOM 639 CD LYS A 42 -2.264 12.199 10.149 1.00 0.00 C ATOM 640 CE LYS A 42 -1.172 13.209 10.537 1.00 0.00 C ATOM 641 NZ LYS A 42 0.170 12.798 10.054 1.00 0.00 N ATOM 0 H LYS A 42 -3.118 10.880 14.702 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.871 10.435 12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.742 12.565 13.194 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.194 11.894 12.718 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.330 11.809 10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.784 13.411 11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.875 11.184 10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.551 12.347 9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.421 14.187 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.148 13.317 11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.821 13.607 10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.530 12.023 10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.100 12.475 9.068 1.00 0.00 H new ATOM 655 N ASP A 43 -1.955 9.038 12.003 1.00 0.00 N ATOM 656 CA ASP A 43 -1.274 8.058 11.155 1.00 0.00 C ATOM 657 C ASP A 43 -1.879 6.654 11.279 1.00 0.00 C ATOM 658 O ASP A 43 -2.009 5.971 10.262 1.00 0.00 O ATOM 659 CB ASP A 43 0.235 8.070 11.442 1.00 0.00 C ATOM 660 CG ASP A 43 0.879 9.286 10.761 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.824 10.401 11.329 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.362 9.149 9.613 1.00 0.00 O ATOM 0 H ASP A 43 -1.372 9.402 12.757 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.425 8.350 10.116 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.411 8.107 12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.692 7.151 11.076 1.00 0.00 H new ATOM 667 N ILE A 44 -2.321 6.236 12.474 1.00 0.00 N ATOM 668 CA ILE A 44 -2.990 4.936 12.631 1.00 0.00 C ATOM 669 C ILE A 44 -4.362 4.924 11.947 1.00 0.00 C ATOM 670 O ILE A 44 -4.631 4.033 11.139 1.00 0.00 O ATOM 671 CB ILE A 44 -3.125 4.457 14.091 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.937 4.756 15.023 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.362 2.934 14.050 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.558 4.396 14.482 1.00 0.00 C ATOM 0 H ILE A 44 -2.229 6.772 13.337 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.328 4.225 12.137 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.951 5.023 14.522 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.946 5.820 15.261 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.090 4.219 15.959 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.463 2.554 15.067 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.274 2.723 13.491 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.517 2.447 13.563 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.201 4.650 15.222 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.517 3.327 14.272 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.370 4.953 13.564 1.00 0.00 H new ATOM 686 N LYS A 45 -5.237 5.908 12.222 1.00 0.00 N ATOM 687 CA LYS A 45 -6.546 5.985 11.543 1.00 0.00 C ATOM 688 C LYS A 45 -6.396 6.087 10.021 1.00 0.00 C ATOM 689 O LYS A 45 -7.124 5.399 9.306 1.00 0.00 O ATOM 690 CB LYS A 45 -7.483 7.046 12.161 1.00 0.00 C ATOM 691 CG LYS A 45 -7.031 8.519 12.129 1.00 0.00 C ATOM 692 CD LYS A 45 -7.335 9.314 10.844 1.00 0.00 C ATOM 693 CE LYS A 45 -8.824 9.638 10.702 1.00 0.00 C ATOM 694 NZ LYS A 45 -9.137 10.166 9.351 1.00 0.00 N ATOM 0 H LYS A 45 -5.067 6.651 12.899 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.056 5.038 11.723 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.444 6.981 11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.656 6.773 13.202 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.500 9.036 12.966 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.955 8.547 12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.762 10.241 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.006 8.740 9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.413 8.740 10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.112 10.370 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.047 10.668 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.388 10.823 9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.195 9.378 8.675 1.00 0.00 H new ATOM 708 N LYS A 46 -5.403 6.849 9.531 1.00 0.00 N ATOM 709 CA LYS A 46 -5.085 6.980 8.101 1.00 0.00 C ATOM 710 C LYS A 46 -4.663 5.646 7.489 1.00 0.00 C ATOM 711 O LYS A 46 -5.219 5.249 6.466 1.00 0.00 O ATOM 712 CB LYS A 46 -4.050 8.096 7.864 1.00 0.00 C ATOM 713 CG LYS A 46 -3.772 8.286 6.361 1.00 0.00 C ATOM 714 CD LYS A 46 -3.139 9.643 5.992 1.00 0.00 C ATOM 715 CE LYS A 46 -1.666 9.563 5.564 1.00 0.00 C ATOM 716 NZ LYS A 46 -0.731 9.452 6.714 1.00 0.00 N ATOM 0 H LYS A 46 -4.788 7.401 10.130 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.996 7.276 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.415 9.031 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.122 7.851 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.111 7.488 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.709 8.176 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.716 10.091 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.220 10.312 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.530 8.703 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.414 10.450 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.247 9.402 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.836 10.285 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.949 8.592 7.257 1.00 0.00 H new ATOM 730 N ILE A 47 -3.704 4.939 8.096 1.00 0.00 N ATOM 731 CA ILE A 47 -3.252 3.658 7.543 1.00 0.00 C ATOM 732 C ILE A 47 -4.346 2.586 7.590 1.00 0.00 C ATOM 733 O ILE A 47 -4.479 1.835 6.628 1.00 0.00 O ATOM 734 CB ILE A 47 -1.914 3.190 8.152 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.184 2.346 7.091 1.00 0.00 C ATOM 736 CG2 ILE A 47 -2.060 2.425 9.480 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.256 2.011 7.473 1.00 0.00 C ATOM 0 H ILE A 47 -3.233 5.225 8.954 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.048 3.829 6.486 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.333 4.074 8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.735 1.419 6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.185 2.885 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.074 2.131 9.841 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.541 3.067 10.219 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.668 1.535 9.322 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.713 1.415 6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.821 2.933 7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.263 1.445 8.404 1.00 0.00 H new ATOM 749 N MET A 48 -5.168 2.535 8.646 1.00 0.00 N ATOM 750 CA MET A 48 -6.293 1.598 8.723 1.00 0.00 C ATOM 751 C MET A 48 -7.369 1.879 7.670 1.00 0.00 C ATOM 752 O MET A 48 -7.742 0.965 6.933 1.00 0.00 O ATOM 753 CB MET A 48 -6.911 1.564 10.125 1.00 0.00 C ATOM 754 CG MET A 48 -5.980 0.880 11.131 1.00 0.00 C ATOM 755 SD MET A 48 -6.848 -0.137 12.351 1.00 0.00 S ATOM 756 CE MET A 48 -5.429 -1.040 13.011 1.00 0.00 C ATOM 0 H MET A 48 -5.072 3.137 9.464 1.00 0.00 H new ATOM 0 HA MET A 48 -5.877 0.614 8.508 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.122 2.581 10.456 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.864 1.036 10.091 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.270 0.255 10.589 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.400 1.642 11.652 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.667 -2.102 13.065 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.569 -0.894 12.358 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.194 -0.670 14.009 1.00 0.00 H new ATOM 766 N GLU A 49 -7.862 3.119 7.561 1.00 0.00 N ATOM 767 CA GLU A 49 -8.876 3.451 6.550 1.00 0.00 C ATOM 768 C GLU A 49 -8.354 3.231 5.117 1.00 0.00 C ATOM 769 O GLU A 49 -9.076 2.677 4.290 1.00 0.00 O ATOM 770 CB GLU A 49 -9.485 4.851 6.770 1.00 0.00 C ATOM 771 CG GLU A 49 -8.607 6.029 6.332 1.00 0.00 C ATOM 772 CD GLU A 49 -9.225 7.389 6.706 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.282 7.757 6.136 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.636 8.128 7.532 1.00 0.00 O ATOM 0 H GLU A 49 -7.580 3.901 8.152 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.700 2.750 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.431 4.905 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.715 4.966 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.625 5.939 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.456 5.985 5.253 1.00 0.00 H new ATOM 781 N GLU A 50 -7.093 3.580 4.827 1.00 0.00 N ATOM 782 CA GLU A 50 -6.454 3.315 3.531 1.00 0.00 C ATOM 783 C GLU A 50 -6.300 1.809 3.258 1.00 0.00 C ATOM 784 O GLU A 50 -6.712 1.340 2.196 1.00 0.00 O ATOM 785 CB GLU A 50 -5.105 4.051 3.445 1.00 0.00 C ATOM 786 CG GLU A 50 -4.515 3.999 2.029 1.00 0.00 C ATOM 787 CD GLU A 50 -3.237 4.854 1.916 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.334 6.106 1.906 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.124 4.282 1.815 1.00 0.00 O ATOM 0 H GLU A 50 -6.483 4.058 5.491 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.107 3.701 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.239 5.090 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.402 3.604 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.287 2.966 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.256 4.354 1.312 1.00 0.00 H new ATOM 796 N LYS A 51 -5.762 1.031 4.209 1.00 0.00 N ATOM 797 CA LYS A 51 -5.618 -0.433 4.115 1.00 0.00 C ATOM 798 C LYS A 51 -6.949 -1.104 3.785 1.00 0.00 C ATOM 799 O LYS A 51 -7.029 -1.840 2.805 1.00 0.00 O ATOM 800 CB LYS A 51 -5.003 -0.983 5.417 1.00 0.00 C ATOM 801 CG LYS A 51 -4.864 -2.514 5.477 1.00 0.00 C ATOM 802 CD LYS A 51 -3.951 -3.082 4.384 1.00 0.00 C ATOM 803 CE LYS A 51 -3.695 -4.571 4.641 1.00 0.00 C ATOM 804 NZ LYS A 51 -2.905 -5.185 3.543 1.00 0.00 N ATOM 0 H LYS A 51 -5.406 1.410 5.087 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.941 -0.667 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.017 -0.539 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.616 -0.656 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.471 -2.798 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.852 -2.966 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.412 -2.947 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.006 -2.539 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.163 -4.692 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.647 -5.093 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.750 -6.193 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.424 -5.090 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.987 -4.702 3.464 1.00 0.00 H new ATOM 818 N ILE A 52 -7.990 -0.838 4.572 1.00 0.00 N ATOM 819 CA ILE A 52 -9.325 -1.422 4.383 1.00 0.00 C ATOM 820 C ILE A 52 -9.939 -0.983 3.040 1.00 0.00 C ATOM 821 O ILE A 52 -10.488 -1.821 2.324 1.00 0.00 O ATOM 822 CB ILE A 52 -10.227 -1.100 5.597 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.662 -1.742 6.889 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.656 -1.631 5.370 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.258 -1.176 8.187 1.00 0.00 C ATOM 0 H ILE A 52 -7.934 -0.204 5.369 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.236 -2.507 4.332 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.250 -0.016 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.844 -2.816 6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.581 -1.603 6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.274 -1.394 6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.081 -1.164 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.625 -2.712 5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.809 -1.679 9.043 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.053 -0.107 8.246 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.336 -1.340 8.194 1.00 0.00 H new ATOM 837 N GLN A 53 -9.808 0.291 2.650 1.00 0.00 N ATOM 838 CA GLN A 53 -10.296 0.818 1.366 1.00 0.00 C ATOM 839 C GLN A 53 -9.622 0.159 0.143 1.00 0.00 C ATOM 840 O GLN A 53 -10.308 -0.205 -0.815 1.00 0.00 O ATOM 841 CB GLN A 53 -10.117 2.348 1.366 1.00 0.00 C ATOM 842 CG GLN A 53 -10.657 3.050 0.113 1.00 0.00 C ATOM 843 CD GLN A 53 -10.625 4.570 0.277 1.00 0.00 C ATOM 844 OE1 GLN A 53 -11.547 5.189 0.795 1.00 0.00 O ATOM 845 NE2 GLN A 53 -9.569 5.236 -0.142 1.00 0.00 N ATOM 0 H GLN A 53 -9.352 0.998 3.227 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.353 0.569 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.617 2.760 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.056 2.577 1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.062 2.762 -0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.679 2.723 -0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.791 4.739 -0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.529 6.249 -0.033 1.00 0.00 H new ATOM 854 N ILE A 54 -8.292 0.013 0.158 1.00 0.00 N ATOM 855 CA ILE A 54 -7.488 -0.526 -0.953 1.00 0.00 C ATOM 856 C ILE A 54 -7.518 -2.068 -0.994 1.00 0.00 C ATOM 857 O ILE A 54 -7.802 -2.653 -2.041 1.00 0.00 O ATOM 858 CB ILE A 54 -6.043 0.026 -0.859 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.985 1.568 -0.996 1.00 0.00 C ATOM 860 CG2 ILE A 54 -5.104 -0.620 -1.893 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.311 2.140 -2.382 1.00 0.00 C ATOM 0 H ILE A 54 -7.726 0.273 0.966 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.927 -0.195 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.697 -0.241 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.678 2.002 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.985 1.899 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.103 -0.201 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.066 -1.697 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.477 -0.421 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.238 3.227 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.604 1.748 -3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.323 1.852 -2.666 1.00 0.00 H new ATOM 873 N SER A 55 -7.227 -2.735 0.128 1.00 0.00 N ATOM 874 CA SER A 55 -7.065 -4.197 0.235 1.00 0.00 C ATOM 875 C SER A 55 -8.384 -4.955 0.463 1.00 0.00 C ATOM 876 O SER A 55 -8.540 -6.085 -0.006 1.00 0.00 O ATOM 877 CB SER A 55 -6.091 -4.491 1.385 1.00 0.00 C ATOM 878 OG SER A 55 -5.647 -5.838 1.404 1.00 0.00 O ATOM 0 H SER A 55 -7.092 -2.259 1.020 1.00 0.00 H new ATOM 0 HA SER A 55 -6.679 -4.553 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.228 -3.831 1.301 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.577 -4.261 2.333 1.00 0.00 H new ATOM 0 HG SER A 55 -5.161 -6.010 2.237 1.00 0.00 H new ATOM 884 N GLY A 56 -9.346 -4.343 1.163 1.00 0.00 N ATOM 885 CA GLY A 56 -10.674 -4.902 1.470 1.00 0.00 C ATOM 886 C GLY A 56 -10.832 -5.479 2.887 1.00 0.00 C ATOM 887 O GLY A 56 -11.961 -5.732 3.314 1.00 0.00 O ATOM 0 H GLY A 56 -9.219 -3.407 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.421 -4.121 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.895 -5.689 0.748 1.00 0.00 H new ATOM 891 N SER A 57 -9.732 -5.664 3.629 1.00 0.00 N ATOM 892 CA SER A 57 -9.696 -6.176 5.015 1.00 0.00 C ATOM 893 C SER A 57 -8.702 -5.397 5.890 1.00 0.00 C ATOM 894 O SER A 57 -7.824 -4.699 5.378 1.00 0.00 O ATOM 895 CB SER A 57 -9.308 -7.666 5.032 1.00 0.00 C ATOM 896 OG SER A 57 -10.243 -8.468 4.326 1.00 0.00 O ATOM 0 H SER A 57 -8.801 -5.454 3.269 1.00 0.00 H new ATOM 0 HA SER A 57 -10.698 -6.045 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.319 -7.788 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.241 -8.011 6.064 1.00 0.00 H new ATOM 0 HG SER A 57 -9.960 -9.406 4.359 1.00 0.00 H new ATOM 902 N ASN A 58 -8.822 -5.529 7.215 1.00 0.00 N ATOM 903 CA ASN A 58 -7.902 -4.940 8.197 1.00 0.00 C ATOM 904 C ASN A 58 -6.538 -5.673 8.248 1.00 0.00 C ATOM 905 O ASN A 58 -6.383 -6.779 7.720 1.00 0.00 O ATOM 906 CB ASN A 58 -8.610 -4.953 9.570 1.00 0.00 C ATOM 907 CG ASN A 58 -7.968 -4.004 10.567 1.00 0.00 C ATOM 908 OD1 ASN A 58 -8.181 -2.803 10.529 1.00 0.00 O ATOM 909 ND2 ASN A 58 -7.117 -4.483 11.447 1.00 0.00 N ATOM 0 H ASN A 58 -9.579 -6.060 7.646 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.665 -3.917 7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.657 -4.681 9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.592 -5.965 9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.640 -3.852 12.091 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.933 -5.486 11.485 1.00 0.00 H new ATOM 916 N TYR A 59 -5.559 -5.088 8.945 1.00 0.00 N ATOM 917 CA TYR A 59 -4.316 -5.750 9.361 1.00 0.00 C ATOM 918 C TYR A 59 -4.560 -6.986 10.249 1.00 0.00 C ATOM 919 O TYR A 59 -5.519 -7.029 11.028 1.00 0.00 O ATOM 920 CB TYR A 59 -3.424 -4.726 10.084 1.00 0.00 C ATOM 921 CG TYR A 59 -2.815 -3.718 9.133 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.839 -4.160 8.224 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.249 -2.376 9.103 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.305 -3.280 7.271 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.709 -1.487 8.152 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.743 -1.940 7.226 1.00 0.00 C ATOM 927 OH TYR A 59 -1.268 -1.106 6.265 1.00 0.00 O ATOM 0 H TYR A 59 -5.609 -4.114 9.244 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.817 -6.119 8.465 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.014 -4.202 10.836 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.628 -5.251 10.612 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.498 -5.184 8.259 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.992 -2.031 9.806 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.559 -3.628 6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.034 -0.457 8.131 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.515 -1.532 5.805 1.00 0.00 H new ATOM 937 N LYS A 60 -3.662 -7.977 10.138 1.00 0.00 N ATOM 938 CA LYS A 60 -3.704 -9.271 10.847 1.00 0.00 C ATOM 939 C LYS A 60 -3.287 -9.134 12.317 1.00 0.00 C ATOM 940 O LYS A 60 -4.060 -9.458 13.220 1.00 0.00 O ATOM 941 CB LYS A 60 -2.797 -10.305 10.140 1.00 0.00 C ATOM 942 CG LYS A 60 -3.353 -10.885 8.827 1.00 0.00 C ATOM 943 CD LYS A 60 -3.291 -9.939 7.619 1.00 0.00 C ATOM 944 CE LYS A 60 -3.717 -10.698 6.356 1.00 0.00 C ATOM 945 NZ LYS A 60 -3.632 -9.844 5.142 1.00 0.00 N ATOM 0 H LYS A 60 -2.850 -7.898 9.526 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.737 -9.617 10.823 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.835 -9.836 9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.608 -11.128 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.800 -11.793 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.391 -11.177 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.945 -9.082 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.280 -9.550 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.083 -11.575 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.739 -11.058 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.928 -10.393 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.256 -9.020 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.652 -9.521 5.013 1.00 0.00 H new ATOM 959 N SER A 61 -2.059 -8.659 12.531 1.00 0.00 N ATOM 960 CA SER A 61 -1.385 -8.497 13.829 1.00 0.00 C ATOM 961 C SER A 61 -0.480 -7.259 13.815 1.00 0.00 C ATOM 962 O SER A 61 -0.197 -6.697 12.750 1.00 0.00 O ATOM 963 CB SER A 61 -0.539 -9.745 14.140 1.00 0.00 C ATOM 964 OG SER A 61 -1.343 -10.908 14.267 1.00 0.00 O ATOM 0 H SER A 61 -1.468 -8.357 11.757 1.00 0.00 H new ATOM 0 HA SER A 61 -2.146 -8.370 14.599 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.194 -9.894 13.347 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.018 -9.586 15.063 1.00 0.00 H new ATOM 0 HG SER A 61 -0.772 -11.680 14.463 1.00 0.00 H new ATOM 970 N LEU A 62 -0.003 -6.837 14.992 1.00 0.00 N ATOM 971 CA LEU A 62 0.813 -5.626 15.161 1.00 0.00 C ATOM 972 C LEU A 62 2.065 -5.642 14.277 1.00 0.00 C ATOM 973 O LEU A 62 2.406 -4.613 13.707 1.00 0.00 O ATOM 974 CB LEU A 62 1.210 -5.420 16.640 1.00 0.00 C ATOM 975 CG LEU A 62 0.121 -4.958 17.628 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.595 -3.691 17.158 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.932 -6.026 17.929 1.00 0.00 C ATOM 0 H LEU A 62 -0.175 -7.333 15.867 1.00 0.00 H new ATOM 0 HA LEU A 62 0.193 -4.788 14.844 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.618 -6.361 17.010 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.018 -4.689 16.669 1.00 0.00 H new ATOM 0 HG LEU A 62 0.671 -4.751 18.546 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.352 -3.408 17.889 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.128 -2.882 17.053 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.072 -3.878 16.196 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.664 -5.627 18.631 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.434 -6.313 17.005 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.449 -6.900 18.366 1.00 0.00 H new ATOM 989 N GLU A 63 2.709 -6.799 14.098 1.00 0.00 N ATOM 990 CA GLU A 63 3.889 -6.972 13.235 1.00 0.00 C ATOM 991 C GLU A 63 3.693 -6.477 11.789 1.00 0.00 C ATOM 992 O GLU A 63 4.635 -5.949 11.197 1.00 0.00 O ATOM 993 CB GLU A 63 4.359 -8.438 13.258 1.00 0.00 C ATOM 994 CG GLU A 63 3.307 -9.449 12.770 1.00 0.00 C ATOM 995 CD GLU A 63 3.847 -10.893 12.779 1.00 0.00 C ATOM 996 OE1 GLU A 63 4.214 -11.408 13.863 1.00 0.00 O ATOM 997 OE2 GLU A 63 3.887 -11.534 11.701 1.00 0.00 O ATOM 0 H GLU A 63 2.421 -7.663 14.558 1.00 0.00 H new ATOM 0 HA GLU A 63 4.665 -6.333 13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.250 -8.531 12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.651 -8.698 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.423 -9.388 13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.992 -9.186 11.760 1.00 0.00 H new ATOM 1004 N VAL A 64 2.481 -6.599 11.228 1.00 0.00 N ATOM 1005 CA VAL A 64 2.143 -6.067 9.895 1.00 0.00 C ATOM 1006 C VAL A 64 1.802 -4.578 9.990 1.00 0.00 C ATOM 1007 O VAL A 64 2.296 -3.780 9.193 1.00 0.00 O ATOM 1008 CB VAL A 64 0.980 -6.832 9.228 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.918 -6.502 7.731 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.120 -8.355 9.349 1.00 0.00 C ATOM 0 H VAL A 64 1.702 -7.072 11.687 1.00 0.00 H new ATOM 0 HA VAL A 64 3.023 -6.204 9.266 1.00 0.00 H new ATOM 0 HB VAL A 64 0.077 -6.515 9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.094 -7.048 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.761 -5.431 7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.855 -6.792 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.273 -8.838 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.045 -8.675 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.141 -8.636 10.402 1.00 0.00 H new ATOM 1020 N LEU A 65 0.998 -4.196 10.992 1.00 0.00 N ATOM 1021 CA LEU A 65 0.573 -2.816 11.243 1.00 0.00 C ATOM 1022 C LEU A 65 1.783 -1.866 11.365 1.00 0.00 C ATOM 1023 O LEU A 65 1.878 -0.882 10.636 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.319 -2.766 12.509 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.583 -1.882 12.422 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -2.171 -1.659 13.826 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.376 -0.520 11.762 1.00 0.00 C ATOM 0 H LEU A 65 0.616 -4.858 11.667 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.013 -2.471 10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.629 -3.783 12.749 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.289 -2.413 13.342 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.267 -2.437 11.780 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.061 -1.035 13.753 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.437 -2.620 14.266 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.432 -1.164 14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.320 0.025 11.749 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.637 0.049 12.326 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.024 -0.661 10.740 1.00 0.00 H new ATOM 1039 N VAL A 66 2.724 -2.168 12.270 1.00 0.00 N ATOM 1040 CA VAL A 66 3.900 -1.327 12.577 1.00 0.00 C ATOM 1041 C VAL A 66 4.922 -1.289 11.440 1.00 0.00 C ATOM 1042 O VAL A 66 5.512 -0.238 11.192 1.00 0.00 O ATOM 1043 CB VAL A 66 4.567 -1.697 13.920 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.534 -1.704 15.058 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.343 -3.020 13.895 1.00 0.00 C ATOM 0 H VAL A 66 2.692 -3.023 12.825 1.00 0.00 H new ATOM 0 HA VAL A 66 3.507 -0.316 12.682 1.00 0.00 H new ATOM 0 HB VAL A 66 5.309 -0.919 14.100 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.026 -1.967 15.994 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.086 -0.714 15.149 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.756 -2.435 14.839 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.780 -3.204 14.877 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.665 -3.835 13.641 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.137 -2.962 13.150 1.00 0.00 H new ATOM 1055 N ALA A 67 5.094 -2.395 10.705 1.00 0.00 N ATOM 1056 CA ALA A 67 5.922 -2.450 9.500 1.00 0.00 C ATOM 1057 C ALA A 67 5.370 -1.528 8.400 1.00 0.00 C ATOM 1058 O ALA A 67 6.104 -0.707 7.844 1.00 0.00 O ATOM 1059 CB ALA A 67 6.019 -3.902 9.022 1.00 0.00 C ATOM 0 H ALA A 67 4.655 -3.286 10.936 1.00 0.00 H new ATOM 0 HA ALA A 67 6.923 -2.089 9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.635 -3.949 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.470 -4.513 9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.021 -4.279 8.798 1.00 0.00 H new ATOM 1065 N ASP A 68 4.072 -1.624 8.107 1.00 0.00 N ATOM 1066 CA ASP A 68 3.411 -0.746 7.142 1.00 0.00 C ATOM 1067 C ASP A 68 3.388 0.720 7.612 1.00 0.00 C ATOM 1068 O ASP A 68 3.602 1.606 6.789 1.00 0.00 O ATOM 1069 CB ASP A 68 2.002 -1.263 6.816 1.00 0.00 C ATOM 1070 CG ASP A 68 1.976 -2.354 5.727 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.920 -3.174 5.618 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.994 -2.375 4.947 1.00 0.00 O ATOM 0 H ASP A 68 3.451 -2.312 8.532 1.00 0.00 H new ATOM 0 HA ASP A 68 3.997 -0.765 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.551 -1.660 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.384 -0.426 6.493 1.00 0.00 H new ATOM 1077 N LEU A 69 3.213 1.000 8.913 1.00 0.00 N ATOM 1078 CA LEU A 69 3.324 2.348 9.493 1.00 0.00 C ATOM 1079 C LEU A 69 4.687 2.989 9.212 1.00 0.00 C ATOM 1080 O LEU A 69 4.728 4.076 8.630 1.00 0.00 O ATOM 1081 CB LEU A 69 3.047 2.326 11.006 1.00 0.00 C ATOM 1082 CG LEU A 69 1.560 2.294 11.387 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.417 1.864 12.847 1.00 0.00 C ATOM 1084 CD2 LEU A 69 0.915 3.675 11.235 1.00 0.00 C ATOM 0 H LEU A 69 2.987 0.284 9.603 1.00 0.00 H new ATOM 0 HA LEU A 69 2.565 2.961 9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.537 1.454 11.438 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.505 3.206 11.458 1.00 0.00 H new ATOM 0 HG LEU A 69 1.062 1.590 10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.361 1.841 13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.847 0.871 12.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.941 2.573 13.488 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.138 3.618 11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.423 4.387 11.885 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.000 4.004 10.199 1.00 0.00 H new ATOM 1096 N VAL A 70 5.798 2.340 9.594 1.00 0.00 N ATOM 1097 CA VAL A 70 7.136 2.890 9.301 1.00 0.00 C ATOM 1098 C VAL A 70 7.370 3.036 7.794 1.00 0.00 C ATOM 1099 O VAL A 70 7.878 4.066 7.360 1.00 0.00 O ATOM 1100 CB VAL A 70 8.310 2.164 9.989 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.159 2.193 11.513 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.531 0.713 9.554 1.00 0.00 C ATOM 0 H VAL A 70 5.802 1.452 10.096 1.00 0.00 H new ATOM 0 HA VAL A 70 7.126 3.883 9.751 1.00 0.00 H new ATOM 0 HB VAL A 70 9.186 2.725 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.000 1.674 11.972 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.139 3.227 11.857 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.230 1.699 11.796 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.379 0.296 10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.637 0.128 9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.734 0.681 8.484 1.00 0.00 H new ATOM 1112 N ASN A 71 6.943 2.071 6.974 1.00 0.00 N ATOM 1113 CA ASN A 71 7.081 2.135 5.517 1.00 0.00 C ATOM 1114 C ASN A 71 6.271 3.286 4.876 1.00 0.00 C ATOM 1115 O ASN A 71 6.749 3.929 3.941 1.00 0.00 O ATOM 1116 CB ASN A 71 6.692 0.768 4.934 1.00 0.00 C ATOM 1117 CG ASN A 71 7.024 0.669 3.454 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.178 0.687 3.050 1.00 0.00 O ATOM 1119 ND2 ASN A 71 6.035 0.562 2.595 1.00 0.00 N ATOM 0 H ASN A 71 6.490 1.219 7.305 1.00 0.00 H new ATOM 0 HA ASN A 71 8.120 2.361 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.214 -0.020 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.625 0.602 5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.232 0.494 1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.071 0.547 2.927 1.00 0.00 H new ATOM 1126 N ALA A 72 5.059 3.559 5.373 1.00 0.00 N ATOM 1127 CA ALA A 72 4.172 4.615 4.883 1.00 0.00 C ATOM 1128 C ALA A 72 4.615 6.028 5.307 1.00 0.00 C ATOM 1129 O ALA A 72 4.516 6.961 4.505 1.00 0.00 O ATOM 1130 CB ALA A 72 2.745 4.324 5.366 1.00 0.00 C ATOM 0 H ALA A 72 4.658 3.034 6.151 1.00 0.00 H new ATOM 0 HA ALA A 72 4.215 4.608 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.073 5.104 5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.420 3.359 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.727 4.302 6.456 1.00 0.00 H new ATOM 1136 N GLN A 73 5.099 6.209 6.545 1.00 0.00 N ATOM 1137 CA GLN A 73 5.608 7.510 7.017 1.00 0.00 C ATOM 1138 C GLN A 73 6.991 7.867 6.432 1.00 0.00 C ATOM 1139 O GLN A 73 7.291 9.051 6.269 1.00 0.00 O ATOM 1140 CB GLN A 73 5.581 7.579 8.556 1.00 0.00 C ATOM 1141 CG GLN A 73 6.713 6.793 9.233 1.00 0.00 C ATOM 1142 CD GLN A 73 6.565 6.657 10.749 1.00 0.00 C ATOM 1143 OE1 GLN A 73 5.529 6.908 11.351 1.00 0.00 O ATOM 1144 NE2 GLN A 73 7.616 6.259 11.436 1.00 0.00 N ATOM 0 H GLN A 73 5.150 5.467 7.243 1.00 0.00 H new ATOM 0 HA GLN A 73 4.933 8.277 6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.641 8.623 8.864 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.624 7.197 8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.761 5.797 8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.661 7.284 9.015 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.489 6.045 10.954 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.557 6.165 12.450 1.00 0.00 H new