USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl -177:sc= -2.56 (180deg=-1.99) USER MOD Set 1.2: A 36 GLN : amide:sc= 0 X(o=-2.4,f=-2.5) USER MOD Set 1.3: A 37 TYR OH : rot 165:sc= 1.32 USER MOD Set 1.4: A 70 HIS : no HD1:sc= -1.15 K(o=-2.4,f=-10!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.169 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.172 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0592 USER MOD Single : A 54 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1) USER MOD Single : A 55 MET CE :methyl -132:sc= -0.28 (180deg=-1.71) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.881 F(o=-2,f=-0.88) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.38) USER MOD Single : A 77 SER OG : rot 140:sc= 0.583 USER MOD Single : A 79 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.61) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -161:sc= -0.697 (180deg=-0.857) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 28.897 -25.001 27.265 1.00 0.00 N ATOM 331 CA VAL A 25 27.696 -24.222 26.988 1.00 0.00 C ATOM 332 C VAL A 25 28.031 -22.954 26.210 1.00 0.00 C ATOM 333 O VAL A 25 27.416 -22.663 25.184 1.00 0.00 O ATOM 334 CB VAL A 25 26.966 -23.836 28.288 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.651 -23.137 27.974 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.732 -25.066 29.152 1.00 0.00 C ATOM 0 HA VAL A 25 27.041 -24.852 26.386 1.00 0.00 H new ATOM 0 HB VAL A 25 27.595 -23.142 28.846 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.149 -22.872 28.904 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.848 -22.233 27.397 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.013 -23.805 27.395 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.215 -24.775 30.067 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.123 -25.785 28.604 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.690 -25.520 29.405 1.00 0.00 H new ATOM 346 N ASP A 26 29.009 -22.204 26.705 1.00 0.00 N ATOM 347 CA ASP A 26 29.427 -20.967 26.056 1.00 0.00 C ATOM 348 C ASP A 26 29.748 -21.208 24.584 1.00 0.00 C ATOM 349 O ASP A 26 29.544 -20.332 23.743 1.00 0.00 O ATOM 350 CB ASP A 26 30.648 -20.380 26.767 1.00 0.00 C ATOM 351 CG ASP A 26 30.479 -20.346 28.273 1.00 0.00 C ATOM 352 OD1 ASP A 26 29.707 -19.496 28.764 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.120 -21.168 28.961 1.00 0.00 O ATOM 0 H ASP A 26 29.527 -22.431 27.554 1.00 0.00 H new ATOM 0 HA ASP A 26 28.603 -20.256 26.119 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.529 -20.970 26.516 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.827 -19.369 26.401 1.00 0.00 H new ATOM 358 N ASP A 27 30.251 -22.399 24.280 1.00 0.00 N ATOM 359 CA ASP A 27 30.600 -22.755 22.910 1.00 0.00 C ATOM 360 C ASP A 27 29.361 -23.178 22.126 1.00 0.00 C ATOM 361 O ASP A 27 29.100 -22.668 21.037 1.00 0.00 O ATOM 362 CB ASP A 27 31.634 -23.882 22.900 1.00 0.00 C ATOM 363 CG ASP A 27 32.691 -23.689 21.831 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.538 -22.785 21.991 1.00 0.00 O ATOM 365 OD2 ASP A 27 32.671 -24.440 20.834 1.00 0.00 O ATOM 0 H ASP A 27 30.426 -23.135 24.964 1.00 0.00 H new ATOM 0 HA ASP A 27 31.029 -21.875 22.431 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.115 -23.938 23.876 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.128 -24.834 22.739 1.00 0.00 H new ATOM 370 N TRP A 28 28.603 -24.113 22.688 1.00 0.00 N ATOM 371 CA TRP A 28 27.392 -24.605 22.041 1.00 0.00 C ATOM 372 C TRP A 28 26.467 -23.452 21.668 1.00 0.00 C ATOM 373 O TRP A 28 26.077 -23.306 20.508 1.00 0.00 O ATOM 374 CB TRP A 28 26.661 -25.586 22.959 1.00 0.00 C ATOM 375 CG TRP A 28 25.244 -25.844 22.545 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.807 -26.215 21.306 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.079 -25.747 23.371 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.440 -26.355 21.312 1.00 0.00 N ATOM 379 CE2 TRP A 28 22.970 -26.075 22.567 1.00 0.00 C ATOM 380 CE3 TRP A 28 23.864 -25.418 24.712 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.668 -26.081 23.061 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.572 -25.425 25.201 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.487 -25.755 24.378 1.00 0.00 C ATOM 0 H TRP A 28 28.805 -24.545 23.589 1.00 0.00 H new ATOM 0 HA TRP A 28 27.683 -25.122 21.127 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.205 -26.531 22.976 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.669 -25.195 23.977 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.442 -26.375 20.447 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.868 -26.624 20.511 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.693 -25.163 25.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.831 -26.334 22.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.395 -25.172 26.236 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.489 -25.752 24.791 1.00 0.00 H new ATOM 394 N LEU A 29 26.119 -22.636 22.656 1.00 0.00 N ATOM 395 CA LEU A 29 25.238 -21.494 22.431 1.00 0.00 C ATOM 396 C LEU A 29 25.793 -20.587 21.338 1.00 0.00 C ATOM 397 O LEU A 29 25.040 -20.029 20.539 1.00 0.00 O ATOM 398 CB LEU A 29 25.059 -20.701 23.726 1.00 0.00 C ATOM 399 CG LEU A 29 24.330 -21.422 24.860 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.206 -20.517 26.076 1.00 0.00 C ATOM 401 CD2 LEU A 29 22.957 -21.890 24.399 1.00 0.00 C ATOM 0 H LEU A 29 26.433 -22.743 23.621 1.00 0.00 H new ATOM 0 HA LEU A 29 24.268 -21.872 22.107 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.044 -20.404 24.086 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.514 -19.785 23.495 1.00 0.00 H new ATOM 0 HG LEU A 29 24.914 -22.298 25.143 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.684 -21.047 26.873 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.200 -20.232 26.420 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.644 -19.622 25.808 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.453 -22.401 25.219 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.365 -21.029 24.089 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.069 -22.575 23.559 1.00 0.00 H new ATOM 413 N SER A 30 27.114 -20.445 21.306 1.00 0.00 N ATOM 414 CA SER A 30 27.769 -19.604 20.312 1.00 0.00 C ATOM 415 C SER A 30 27.668 -20.226 18.922 1.00 0.00 C ATOM 416 O SER A 30 27.844 -19.546 17.912 1.00 0.00 O ATOM 417 CB SER A 30 29.238 -19.390 20.681 1.00 0.00 C ATOM 418 OG SER A 30 29.779 -18.272 19.999 1.00 0.00 O ATOM 0 H SER A 30 27.752 -20.902 21.958 1.00 0.00 H new ATOM 0 HA SER A 30 27.261 -18.640 20.298 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.328 -19.241 21.757 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.812 -20.283 20.434 1.00 0.00 H new ATOM 0 HG SER A 30 30.718 -18.156 20.254 1.00 0.00 H new ATOM 424 N ALA A 31 27.382 -21.523 18.881 1.00 0.00 N ATOM 425 CA ALA A 31 27.255 -22.238 17.617 1.00 0.00 C ATOM 426 C ALA A 31 25.822 -22.184 17.098 1.00 0.00 C ATOM 427 O ALA A 31 25.535 -22.645 15.993 1.00 0.00 O ATOM 428 CB ALA A 31 27.706 -23.682 17.780 1.00 0.00 C ATOM 0 H ALA A 31 27.234 -22.100 19.709 1.00 0.00 H new ATOM 0 HA ALA A 31 27.897 -21.749 16.885 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.606 -24.204 16.828 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.748 -23.704 18.098 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.087 -24.174 18.531 1.00 0.00 H new ATOM 434 N ILE A 32 24.927 -21.621 17.903 1.00 0.00 N ATOM 435 CA ILE A 32 23.524 -21.508 17.523 1.00 0.00 C ATOM 436 C ILE A 32 23.048 -20.062 17.601 1.00 0.00 C ATOM 437 O ILE A 32 21.852 -19.784 17.512 1.00 0.00 O ATOM 438 CB ILE A 32 22.626 -22.381 18.421 1.00 0.00 C ATOM 439 CG1 ILE A 32 22.971 -22.159 19.895 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.775 -23.849 18.051 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.124 -22.977 20.844 1.00 0.00 C ATOM 0 H ILE A 32 25.148 -21.236 18.821 1.00 0.00 H new ATOM 0 HA ILE A 32 23.447 -21.858 16.494 1.00 0.00 H new ATOM 0 HB ILE A 32 21.587 -22.090 18.263 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.021 -22.404 20.055 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.851 -21.102 20.133 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.135 -24.453 18.694 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.484 -23.993 17.010 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.813 -24.154 18.183 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.424 -22.769 21.871 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.074 -22.715 20.712 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.263 -24.037 20.633 1.00 0.00 H new ATOM 453 N LYS A 33 23.993 -19.142 17.765 1.00 0.00 N ATOM 454 CA LYS A 33 23.673 -17.722 17.851 1.00 0.00 C ATOM 455 C LYS A 33 22.903 -17.415 19.131 1.00 0.00 C ATOM 456 O LYS A 33 22.347 -16.328 19.286 1.00 0.00 O ATOM 457 CB LYS A 33 22.854 -17.288 16.634 1.00 0.00 C ATOM 458 CG LYS A 33 23.371 -17.850 15.321 1.00 0.00 C ATOM 459 CD LYS A 33 23.454 -16.776 14.249 1.00 0.00 C ATOM 460 CE LYS A 33 22.161 -16.681 13.454 1.00 0.00 C ATOM 461 NZ LYS A 33 22.413 -16.651 11.986 1.00 0.00 N ATOM 0 H LYS A 33 24.988 -19.355 17.841 1.00 0.00 H new ATOM 0 HA LYS A 33 24.609 -17.164 17.868 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.819 -17.602 16.772 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.851 -16.199 16.578 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.357 -18.289 15.475 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.714 -18.652 14.984 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.669 -15.813 14.713 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.282 -16.997 13.575 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.523 -17.531 13.696 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.619 -15.782 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.507 -16.586 11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.001 -15.826 11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.907 -17.520 11.701 1.00 0.00 H new ATOM 475 N MET A 34 22.876 -18.379 20.046 1.00 0.00 N ATOM 476 CA MET A 34 22.176 -18.209 21.314 1.00 0.00 C ATOM 477 C MET A 34 23.163 -17.972 22.453 1.00 0.00 C ATOM 478 O MET A 34 22.850 -18.212 23.619 1.00 0.00 O ATOM 479 CB MET A 34 21.317 -19.438 21.616 1.00 0.00 C ATOM 480 CG MET A 34 20.467 -19.889 20.439 1.00 0.00 C ATOM 481 SD MET A 34 19.385 -18.584 19.823 1.00 0.00 S ATOM 482 CE MET A 34 18.508 -18.137 21.320 1.00 0.00 C ATOM 0 H MET A 34 23.330 -19.285 19.933 1.00 0.00 H new ATOM 0 HA MET A 34 21.530 -17.335 21.229 1.00 0.00 H new ATOM 0 HB2 MET A 34 21.966 -20.259 21.921 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.665 -19.217 22.461 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.119 -20.226 19.633 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.863 -20.745 20.739 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.762 -17.376 21.091 1.00 0.00 H new ATOM 0 HE2 MET A 34 18.014 -19.018 21.729 1.00 0.00 H new ATOM 0 HE3 MET A 34 19.214 -17.744 22.052 1.00 0.00 H new ATOM 492 N VAL A 35 24.357 -17.501 22.106 1.00 0.00 N ATOM 493 CA VAL A 35 25.390 -17.232 23.100 1.00 0.00 C ATOM 494 C VAL A 35 24.906 -16.224 24.136 1.00 0.00 C ATOM 495 O VAL A 35 25.438 -16.156 25.244 1.00 0.00 O ATOM 496 CB VAL A 35 26.676 -16.698 22.441 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.632 -15.181 22.337 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.901 -17.152 23.221 1.00 0.00 C ATOM 0 H VAL A 35 24.633 -17.298 21.145 1.00 0.00 H new ATOM 0 HA VAL A 35 25.610 -18.179 23.594 1.00 0.00 H new ATOM 0 HB VAL A 35 26.744 -17.105 21.432 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.549 -14.822 21.869 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.775 -14.882 21.733 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.541 -14.750 23.334 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.801 -16.766 22.742 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.843 -16.774 24.242 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.938 -18.241 23.239 1.00 0.00 H new ATOM 508 N GLN A 36 23.894 -15.445 23.769 1.00 0.00 N ATOM 509 CA GLN A 36 23.339 -14.441 24.668 1.00 0.00 C ATOM 510 C GLN A 36 22.902 -15.071 25.986 1.00 0.00 C ATOM 511 O GLN A 36 22.850 -14.403 27.018 1.00 0.00 O ATOM 512 CB GLN A 36 22.152 -13.736 24.008 1.00 0.00 C ATOM 513 CG GLN A 36 20.909 -14.604 23.906 1.00 0.00 C ATOM 514 CD GLN A 36 19.798 -13.942 23.114 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.349 -12.846 23.449 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.348 -14.607 22.056 1.00 0.00 N ATOM 0 H GLN A 36 23.442 -15.490 22.856 1.00 0.00 H new ATOM 0 HA GLN A 36 24.118 -13.708 24.878 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.912 -12.838 24.576 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.442 -13.413 23.008 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.170 -15.552 23.436 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.548 -14.834 24.908 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.749 -15.513 21.815 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.601 -14.212 21.485 1.00 0.00 H new ATOM 525 N TYR A 37 22.588 -16.361 25.943 1.00 0.00 N ATOM 526 CA TYR A 37 22.152 -17.082 27.133 1.00 0.00 C ATOM 527 C TYR A 37 23.299 -17.892 27.730 1.00 0.00 C ATOM 528 O TYR A 37 23.079 -18.912 28.383 1.00 0.00 O ATOM 529 CB TYR A 37 20.981 -18.006 26.796 1.00 0.00 C ATOM 530 CG TYR A 37 19.758 -17.274 26.291 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.109 -16.337 27.086 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.251 -17.520 25.021 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.990 -15.667 26.629 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.134 -16.854 24.556 1.00 0.00 C ATOM 535 CZ TYR A 37 17.507 -15.928 25.364 1.00 0.00 C ATOM 536 OH TYR A 37 16.394 -15.262 24.905 1.00 0.00 O ATOM 0 H TYR A 37 22.627 -16.929 25.097 1.00 0.00 H new ATOM 0 HA TYR A 37 21.826 -16.349 27.871 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.301 -18.724 26.041 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.712 -18.576 27.685 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.485 -16.129 28.077 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.739 -18.245 24.386 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.496 -14.942 27.260 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.754 -17.057 23.566 1.00 0.00 H new ATOM 0 HH TYR A 37 16.324 -15.373 23.934 1.00 0.00 H new ATOM 546 N ARG A 38 24.524 -17.429 27.501 1.00 0.00 N ATOM 547 CA ARG A 38 25.706 -18.110 28.014 1.00 0.00 C ATOM 548 C ARG A 38 25.821 -17.935 29.526 1.00 0.00 C ATOM 549 O ARG A 38 26.422 -18.761 30.212 1.00 0.00 O ATOM 550 CB ARG A 38 26.966 -17.576 27.331 1.00 0.00 C ATOM 551 CG ARG A 38 27.269 -16.123 27.662 1.00 0.00 C ATOM 552 CD ARG A 38 28.688 -15.747 27.268 1.00 0.00 C ATOM 553 NE ARG A 38 28.764 -15.259 25.894 1.00 0.00 N ATOM 554 CZ ARG A 38 29.852 -14.706 25.369 1.00 0.00 C ATOM 555 NH1 ARG A 38 30.950 -14.571 26.101 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.844 -14.287 24.110 1.00 0.00 N ATOM 0 H ARG A 38 24.723 -16.585 26.964 1.00 0.00 H new ATOM 0 HA ARG A 38 25.605 -19.173 27.795 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.817 -18.192 27.624 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.855 -17.678 26.252 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.562 -15.475 27.143 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.130 -15.955 28.730 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.061 -14.980 27.946 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.337 -16.615 27.381 1.00 0.00 H new ATOM 0 HE ARG A 38 27.936 -15.348 25.305 1.00 0.00 H new ATOM 0 HH11 ARG A 38 30.960 -14.892 27.069 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.784 -14.146 25.696 1.00 0.00 H new ATOM 0 HH21 ARG A 38 29.002 -14.389 23.544 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.680 -13.863 23.708 1.00 0.00 H new ATOM 570 N ASP A 39 25.241 -16.854 30.036 1.00 0.00 N ATOM 571 CA ASP A 39 25.278 -16.570 31.466 1.00 0.00 C ATOM 572 C ASP A 39 24.079 -17.192 32.175 1.00 0.00 C ATOM 573 O ASP A 39 24.147 -17.521 33.359 1.00 0.00 O ATOM 574 CB ASP A 39 25.303 -15.060 31.707 1.00 0.00 C ATOM 575 CG ASP A 39 26.708 -14.530 31.915 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.661 -15.166 31.419 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.854 -13.479 32.574 1.00 0.00 O ATOM 0 H ASP A 39 24.740 -16.160 29.481 1.00 0.00 H new ATOM 0 HA ASP A 39 26.187 -17.010 31.876 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.848 -14.552 30.857 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.696 -14.824 32.581 1.00 0.00 H new ATOM 582 N SER A 40 22.981 -17.348 31.442 1.00 0.00 N ATOM 583 CA SER A 40 21.764 -17.925 32.001 1.00 0.00 C ATOM 584 C SER A 40 22.000 -19.366 32.444 1.00 0.00 C ATOM 585 O SER A 40 21.557 -19.778 33.516 1.00 0.00 O ATOM 586 CB SER A 40 20.631 -17.875 30.974 1.00 0.00 C ATOM 587 OG SER A 40 19.657 -16.911 31.336 1.00 0.00 O ATOM 0 H SER A 40 22.909 -17.083 30.460 1.00 0.00 H new ATOM 0 HA SER A 40 21.480 -17.336 32.873 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.037 -17.635 29.991 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.164 -18.857 30.895 1.00 0.00 H new ATOM 0 HG SER A 40 18.945 -16.897 30.663 1.00 0.00 H new ATOM 593 N PHE A 41 22.702 -20.127 31.611 1.00 0.00 N ATOM 594 CA PHE A 41 22.997 -21.522 31.915 1.00 0.00 C ATOM 595 C PHE A 41 24.116 -21.629 32.948 1.00 0.00 C ATOM 596 O PHE A 41 24.035 -22.420 33.888 1.00 0.00 O ATOM 597 CB PHE A 41 23.391 -22.272 30.641 1.00 0.00 C ATOM 598 CG PHE A 41 22.229 -22.566 29.736 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.265 -23.491 30.103 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.101 -21.919 28.518 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.196 -23.765 29.272 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.033 -22.188 27.682 1.00 0.00 C ATOM 603 CZ PHE A 41 20.079 -23.111 28.060 1.00 0.00 C ATOM 0 H PHE A 41 23.077 -19.801 30.720 1.00 0.00 H new ATOM 0 HA PHE A 41 22.097 -21.975 32.331 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.127 -21.682 30.094 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.874 -23.210 30.915 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.350 -24.004 31.050 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.844 -21.196 28.218 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.452 -24.490 29.569 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.945 -21.677 26.735 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.243 -23.322 27.410 1.00 0.00 H new ATOM 613 N LEU A 42 25.159 -20.827 32.765 1.00 0.00 N ATOM 614 CA LEU A 42 26.296 -20.831 33.680 1.00 0.00 C ATOM 615 C LEU A 42 25.835 -20.642 35.122 1.00 0.00 C ATOM 616 O LEU A 42 26.041 -21.510 35.970 1.00 0.00 O ATOM 617 CB LEU A 42 27.285 -19.728 33.300 1.00 0.00 C ATOM 618 CG LEU A 42 28.276 -20.069 32.186 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.974 -18.812 31.689 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.294 -21.090 32.672 1.00 0.00 C ATOM 0 H LEU A 42 25.241 -20.166 31.992 1.00 0.00 H new ATOM 0 HA LEU A 42 26.792 -21.798 33.600 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.718 -18.848 32.997 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.851 -19.452 34.190 1.00 0.00 H new ATOM 0 HG LEU A 42 27.722 -20.505 31.354 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.675 -19.074 30.897 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.233 -18.113 31.301 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.515 -18.346 32.513 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.991 -21.321 31.866 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.843 -20.681 33.521 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.779 -22.000 32.978 1.00 0.00 H new ATOM 632 N THR A 43 25.208 -19.501 35.392 1.00 0.00 N ATOM 633 CA THR A 43 24.717 -19.198 36.731 1.00 0.00 C ATOM 634 C THR A 43 23.689 -20.228 37.186 1.00 0.00 C ATOM 635 O THR A 43 23.569 -20.515 38.376 1.00 0.00 O ATOM 636 CB THR A 43 24.083 -17.796 36.792 1.00 0.00 C ATOM 637 OG1 THR A 43 23.807 -17.442 38.152 1.00 0.00 O ATOM 638 CG2 THR A 43 22.798 -17.747 35.980 1.00 0.00 C ATOM 0 H THR A 43 25.028 -18.772 34.702 1.00 0.00 H new ATOM 0 HA THR A 43 25.578 -19.229 37.398 1.00 0.00 H new ATOM 0 HB THR A 43 24.790 -17.083 36.367 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.405 -16.549 38.182 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.369 -16.747 36.038 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.016 -17.988 34.940 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.087 -18.471 36.379 1.00 0.00 H new ATOM 646 N ALA A 44 22.950 -20.782 36.230 1.00 0.00 N ATOM 647 CA ALA A 44 21.935 -21.783 36.533 1.00 0.00 C ATOM 648 C ALA A 44 22.569 -23.071 37.046 1.00 0.00 C ATOM 649 O ALA A 44 21.910 -23.884 37.692 1.00 0.00 O ATOM 650 CB ALA A 44 21.087 -22.064 35.301 1.00 0.00 C ATOM 0 H ALA A 44 23.036 -20.554 35.239 1.00 0.00 H new ATOM 0 HA ALA A 44 21.293 -21.387 37.320 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.333 -22.813 35.542 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.596 -21.145 34.980 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.724 -22.435 34.498 1.00 0.00 H new ATOM 656 N GLY A 45 23.853 -23.251 36.752 1.00 0.00 N ATOM 657 CA GLY A 45 24.555 -24.443 37.190 1.00 0.00 C ATOM 658 C GLY A 45 24.980 -25.324 36.033 1.00 0.00 C ATOM 659 O GLY A 45 25.839 -26.193 36.187 1.00 0.00 O ATOM 0 H GLY A 45 24.420 -22.592 36.218 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.435 -24.152 37.764 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.912 -25.014 37.860 1.00 0.00 H new ATOM 663 N PHE A 46 24.376 -25.103 34.870 1.00 0.00 N ATOM 664 CA PHE A 46 24.694 -25.886 33.682 1.00 0.00 C ATOM 665 C PHE A 46 25.963 -25.366 33.012 1.00 0.00 C ATOM 666 O PHE A 46 25.906 -24.505 32.133 1.00 0.00 O ATOM 667 CB PHE A 46 23.528 -25.848 32.692 1.00 0.00 C ATOM 668 CG PHE A 46 22.192 -26.097 33.330 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.852 -27.359 33.789 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.275 -25.068 33.472 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.623 -27.591 34.376 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.044 -25.293 34.059 1.00 0.00 C ATOM 673 CZ PHE A 46 19.718 -26.556 34.512 1.00 0.00 C ATOM 0 H PHE A 46 23.663 -24.388 34.725 1.00 0.00 H new ATOM 0 HA PHE A 46 24.864 -26.917 33.992 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.511 -24.876 32.200 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.696 -26.595 31.916 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.556 -28.171 33.687 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.525 -24.078 33.120 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.370 -28.580 34.728 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.338 -24.482 34.163 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.757 -26.734 34.972 1.00 0.00 H new ATOM 683 N THR A 47 27.107 -25.895 33.433 1.00 0.00 N ATOM 684 CA THR A 47 28.390 -25.484 32.876 1.00 0.00 C ATOM 685 C THR A 47 28.850 -26.446 31.787 1.00 0.00 C ATOM 686 O THR A 47 29.612 -26.071 30.896 1.00 0.00 O ATOM 687 CB THR A 47 29.475 -25.402 33.966 1.00 0.00 C ATOM 688 OG1 THR A 47 29.601 -26.666 34.627 1.00 0.00 O ATOM 689 CG2 THR A 47 29.140 -24.323 34.984 1.00 0.00 C ATOM 0 H THR A 47 27.172 -26.609 34.158 1.00 0.00 H new ATOM 0 HA THR A 47 28.245 -24.494 32.444 1.00 0.00 H new ATOM 0 HB THR A 47 30.420 -25.146 33.488 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.294 -26.606 35.317 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.921 -24.284 35.744 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.074 -23.358 34.482 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.185 -24.553 35.457 1.00 0.00 H new ATOM 697 N SER A 48 28.383 -27.687 31.865 1.00 0.00 N ATOM 698 CA SER A 48 28.749 -28.705 30.886 1.00 0.00 C ATOM 699 C SER A 48 27.547 -29.096 30.033 1.00 0.00 C ATOM 700 O SER A 48 26.409 -29.096 30.505 1.00 0.00 O ATOM 701 CB SER A 48 29.312 -29.940 31.591 1.00 0.00 C ATOM 702 OG SER A 48 30.551 -29.651 32.216 1.00 0.00 O ATOM 0 H SER A 48 27.750 -28.013 32.596 1.00 0.00 H new ATOM 0 HA SER A 48 29.515 -28.287 30.233 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.599 -30.294 32.336 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.445 -30.746 30.869 1.00 0.00 H new ATOM 0 HG SER A 48 30.889 -30.456 32.661 1.00 0.00 H new ATOM 708 N LEU A 49 27.807 -29.428 28.773 1.00 0.00 N ATOM 709 CA LEU A 49 26.747 -29.822 27.851 1.00 0.00 C ATOM 710 C LEU A 49 26.130 -31.154 28.267 1.00 0.00 C ATOM 711 O LEU A 49 24.947 -31.399 28.035 1.00 0.00 O ATOM 712 CB LEU A 49 27.294 -29.924 26.427 1.00 0.00 C ATOM 713 CG LEU A 49 27.848 -28.631 25.827 1.00 0.00 C ATOM 714 CD1 LEU A 49 28.778 -28.937 24.663 1.00 0.00 C ATOM 715 CD2 LEU A 49 26.713 -27.721 25.379 1.00 0.00 C ATOM 0 H LEU A 49 28.742 -29.432 28.366 1.00 0.00 H new ATOM 0 HA LEU A 49 25.971 -29.057 27.882 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.085 -30.674 26.416 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.498 -30.290 25.779 1.00 0.00 H new ATOM 0 HG LEU A 49 28.421 -28.113 26.597 1.00 0.00 H new ATOM 0 HD11 LEU A 49 29.162 -28.005 24.249 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.610 -29.549 25.013 1.00 0.00 H new ATOM 0 HD13 LEU A 49 28.230 -29.478 23.892 1.00 0.00 H new ATOM 0 HD21 LEU A 49 27.126 -26.806 24.955 1.00 0.00 H new ATOM 0 HD22 LEU A 49 26.113 -28.232 24.626 1.00 0.00 H new ATOM 0 HD23 LEU A 49 26.086 -27.473 26.235 1.00 0.00 H new ATOM 727 N GLN A 50 26.940 -32.008 28.884 1.00 0.00 N ATOM 728 CA GLN A 50 26.473 -33.314 29.334 1.00 0.00 C ATOM 729 C GLN A 50 25.243 -33.175 30.225 1.00 0.00 C ATOM 730 O GLN A 50 24.406 -34.076 30.291 1.00 0.00 O ATOM 731 CB GLN A 50 27.584 -34.044 30.090 1.00 0.00 C ATOM 732 CG GLN A 50 27.953 -33.390 31.411 1.00 0.00 C ATOM 733 CD GLN A 50 29.010 -34.166 32.172 1.00 0.00 C ATOM 734 OE1 GLN A 50 28.905 -35.381 32.338 1.00 0.00 O ATOM 735 NE2 GLN A 50 30.037 -33.466 32.639 1.00 0.00 N ATOM 0 H GLN A 50 27.922 -31.819 29.084 1.00 0.00 H new ATOM 0 HA GLN A 50 26.198 -33.896 28.454 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.270 -35.071 30.278 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.471 -34.092 29.458 1.00 0.00 H new ATOM 0 HG2 GLN A 50 28.315 -32.379 31.223 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.060 -33.299 32.029 1.00 0.00 H new ATOM 0 HE21 GLN A 50 30.084 -32.460 32.478 1.00 0.00 H new ATOM 0 HE22 GLN A 50 30.779 -33.934 33.159 1.00 0.00 H new ATOM 744 N LEU A 51 25.139 -32.041 30.909 1.00 0.00 N ATOM 745 CA LEU A 51 24.011 -31.783 31.797 1.00 0.00 C ATOM 746 C LEU A 51 22.861 -31.126 31.040 1.00 0.00 C ATOM 747 O LEU A 51 21.698 -31.257 31.421 1.00 0.00 O ATOM 748 CB LEU A 51 24.445 -30.891 32.961 1.00 0.00 C ATOM 749 CG LEU A 51 25.578 -31.432 33.834 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.950 -30.424 34.910 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.182 -32.761 34.459 1.00 0.00 C ATOM 0 H LEU A 51 25.823 -31.285 30.866 1.00 0.00 H new ATOM 0 HA LEU A 51 23.665 -32.739 32.190 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.753 -29.926 32.558 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.578 -30.710 33.597 1.00 0.00 H new ATOM 0 HG LEU A 51 26.451 -31.597 33.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.758 -30.826 35.522 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.277 -29.496 34.442 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.082 -30.227 35.539 1.00 0.00 H new ATOM 0 HD21 LEU A 51 26.000 -33.131 35.077 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.295 -32.622 35.077 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.967 -33.483 33.672 1.00 0.00 H new ATOM 763 N VAL A 52 23.194 -30.421 29.963 1.00 0.00 N ATOM 764 CA VAL A 52 22.190 -29.746 29.150 1.00 0.00 C ATOM 765 C VAL A 52 21.515 -30.720 28.190 1.00 0.00 C ATOM 766 O VAL A 52 20.381 -30.503 27.763 1.00 0.00 O ATOM 767 CB VAL A 52 22.807 -28.590 28.341 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.749 -27.918 27.478 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.466 -27.582 29.271 1.00 0.00 C ATOM 0 H VAL A 52 24.152 -30.303 29.634 1.00 0.00 H new ATOM 0 HA VAL A 52 21.446 -29.342 29.837 1.00 0.00 H new ATOM 0 HB VAL A 52 23.573 -28.999 27.683 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.203 -27.104 26.914 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.326 -28.647 26.787 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.958 -27.521 28.115 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.897 -26.772 28.683 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.721 -27.177 29.955 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.253 -28.074 29.842 1.00 0.00 H new ATOM 779 N THR A 53 22.221 -31.796 27.854 1.00 0.00 N ATOM 780 CA THR A 53 21.691 -32.803 26.944 1.00 0.00 C ATOM 781 C THR A 53 20.483 -33.509 27.548 1.00 0.00 C ATOM 782 O THR A 53 19.634 -34.031 26.826 1.00 0.00 O ATOM 783 CB THR A 53 22.759 -33.854 26.586 1.00 0.00 C ATOM 784 OG1 THR A 53 23.394 -34.333 27.777 1.00 0.00 O ATOM 785 CG2 THR A 53 23.804 -33.266 25.650 1.00 0.00 C ATOM 0 H THR A 53 23.161 -31.992 28.199 1.00 0.00 H new ATOM 0 HA THR A 53 21.387 -32.280 26.037 1.00 0.00 H new ATOM 0 HB THR A 53 22.265 -34.683 26.079 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.070 -35.002 27.541 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.548 -34.026 25.411 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.322 -32.929 24.732 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.292 -32.421 26.135 1.00 0.00 H new ATOM 793 N GLN A 54 20.411 -33.519 28.875 1.00 0.00 N ATOM 794 CA GLN A 54 19.305 -34.162 29.575 1.00 0.00 C ATOM 795 C GLN A 54 18.311 -33.125 30.088 1.00 0.00 C ATOM 796 O GLN A 54 17.604 -33.362 31.067 1.00 0.00 O ATOM 797 CB GLN A 54 19.831 -35.002 30.740 1.00 0.00 C ATOM 798 CG GLN A 54 21.031 -35.861 30.377 1.00 0.00 C ATOM 799 CD GLN A 54 21.406 -36.835 31.477 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.551 -37.290 32.237 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.691 -37.159 31.568 1.00 0.00 N ATOM 0 H GLN A 54 21.105 -33.089 29.487 1.00 0.00 H new ATOM 0 HA GLN A 54 18.791 -34.815 28.870 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.104 -34.339 31.561 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.030 -35.646 31.103 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.813 -36.416 29.464 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.883 -35.216 30.162 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.366 -36.758 30.917 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.003 -37.809 32.289 1.00 0.00 H new ATOM 810 N MET A 55 18.263 -31.977 29.421 1.00 0.00 N ATOM 811 CA MET A 55 17.354 -30.905 29.810 1.00 0.00 C ATOM 812 C MET A 55 16.116 -30.892 28.918 1.00 0.00 C ATOM 813 O MET A 55 15.950 -31.754 28.055 1.00 0.00 O ATOM 814 CB MET A 55 18.065 -29.552 29.735 1.00 0.00 C ATOM 815 CG MET A 55 19.062 -29.327 30.860 1.00 0.00 C ATOM 816 SD MET A 55 18.268 -29.166 32.470 1.00 0.00 S ATOM 817 CE MET A 55 18.494 -30.818 33.126 1.00 0.00 C ATOM 0 H MET A 55 18.843 -31.765 28.609 1.00 0.00 H new ATOM 0 HA MET A 55 17.038 -31.085 30.838 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.584 -29.476 28.780 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.319 -28.757 29.757 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.766 -30.159 30.888 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.640 -28.427 30.653 1.00 0.00 H new ATOM 0 HE1 MET A 55 17.549 -31.182 33.529 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.829 -31.483 32.330 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.242 -30.796 33.919 1.00 0.00 H new ATOM 827 N THR A 56 15.248 -29.908 29.133 1.00 0.00 N ATOM 828 CA THR A 56 14.025 -29.784 28.351 1.00 0.00 C ATOM 829 C THR A 56 13.614 -28.323 28.200 1.00 0.00 C ATOM 830 O THR A 56 14.219 -27.434 28.799 1.00 0.00 O ATOM 831 CB THR A 56 12.865 -30.568 28.993 1.00 0.00 C ATOM 832 OG1 THR A 56 11.746 -30.606 28.100 1.00 0.00 O ATOM 833 CG2 THR A 56 12.447 -29.933 30.310 1.00 0.00 C ATOM 0 H THR A 56 15.370 -29.185 29.843 1.00 0.00 H new ATOM 0 HA THR A 56 14.236 -30.203 27.367 1.00 0.00 H new ATOM 0 HB THR A 56 13.207 -31.584 29.190 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.013 -31.108 28.515 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.626 -30.504 30.745 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.293 -29.932 30.998 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.122 -28.908 30.133 1.00 0.00 H new ATOM 841 N SER A 57 12.582 -28.083 27.398 1.00 0.00 N ATOM 842 CA SER A 57 12.093 -26.729 27.167 1.00 0.00 C ATOM 843 C SER A 57 11.826 -26.015 28.489 1.00 0.00 C ATOM 844 O SER A 57 11.947 -24.794 28.581 1.00 0.00 O ATOM 845 CB SER A 57 10.815 -26.762 26.326 1.00 0.00 C ATOM 846 OG SER A 57 10.569 -28.065 25.825 1.00 0.00 O ATOM 0 H SER A 57 12.068 -28.808 26.897 1.00 0.00 H new ATOM 0 HA SER A 57 12.862 -26.179 26.625 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.969 -26.436 26.931 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.903 -26.060 25.496 1.00 0.00 H new ATOM 0 HG SER A 57 9.746 -28.061 25.292 1.00 0.00 H new ATOM 852 N GLU A 58 11.463 -26.786 29.509 1.00 0.00 N ATOM 853 CA GLU A 58 11.178 -26.228 30.825 1.00 0.00 C ATOM 854 C GLU A 58 12.424 -25.578 31.421 1.00 0.00 C ATOM 855 O GLU A 58 12.371 -24.458 31.928 1.00 0.00 O ATOM 856 CB GLU A 58 10.659 -27.318 31.765 1.00 0.00 C ATOM 857 CG GLU A 58 9.352 -27.944 31.307 1.00 0.00 C ATOM 858 CD GLU A 58 8.607 -28.630 32.435 1.00 0.00 C ATOM 859 OE1 GLU A 58 9.270 -29.247 33.296 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.361 -28.551 32.458 1.00 0.00 O ATOM 0 H GLU A 58 11.359 -27.799 29.449 1.00 0.00 H new ATOM 0 HA GLU A 58 10.410 -25.463 30.709 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.414 -28.099 31.855 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.520 -26.893 32.759 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.716 -27.172 30.873 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.557 -28.668 30.519 1.00 0.00 H new ATOM 867 N ASP A 59 13.543 -26.291 31.357 1.00 0.00 N ATOM 868 CA ASP A 59 14.803 -25.785 31.890 1.00 0.00 C ATOM 869 C ASP A 59 15.115 -24.402 31.327 1.00 0.00 C ATOM 870 O ASP A 59 15.709 -23.563 32.005 1.00 0.00 O ATOM 871 CB ASP A 59 15.944 -26.751 31.564 1.00 0.00 C ATOM 872 CG ASP A 59 17.308 -26.103 31.699 1.00 0.00 C ATOM 873 OD1 ASP A 59 17.505 -25.329 32.660 1.00 0.00 O ATOM 874 OD2 ASP A 59 18.178 -26.370 30.845 1.00 0.00 O ATOM 0 H ASP A 59 13.604 -27.221 30.942 1.00 0.00 H new ATOM 0 HA ASP A 59 14.704 -25.703 32.972 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.887 -27.613 32.229 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.821 -27.124 30.547 1.00 0.00 H new ATOM 879 N LEU A 60 14.712 -24.171 30.082 1.00 0.00 N ATOM 880 CA LEU A 60 14.949 -22.889 29.426 1.00 0.00 C ATOM 881 C LEU A 60 14.110 -21.788 30.065 1.00 0.00 C ATOM 882 O LEU A 60 14.596 -20.681 30.304 1.00 0.00 O ATOM 883 CB LEU A 60 14.629 -22.991 27.934 1.00 0.00 C ATOM 884 CG LEU A 60 15.048 -24.289 27.244 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.729 -24.231 25.758 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.530 -24.555 27.463 1.00 0.00 C ATOM 0 H LEU A 60 14.220 -24.854 29.507 1.00 0.00 H new ATOM 0 HA LEU A 60 16.002 -22.634 29.548 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.554 -22.865 27.804 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.112 -22.159 27.422 1.00 0.00 H new ATOM 0 HG LEU A 60 14.483 -25.111 27.684 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.034 -25.164 25.284 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.657 -24.088 25.621 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.267 -23.399 25.303 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.811 -25.483 26.965 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.112 -23.731 27.050 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.730 -24.642 28.531 1.00 0.00 H new ATOM 898 N LEU A 61 12.848 -22.097 30.341 1.00 0.00 N ATOM 899 CA LEU A 61 11.940 -21.134 30.955 1.00 0.00 C ATOM 900 C LEU A 61 12.257 -20.954 32.436 1.00 0.00 C ATOM 901 O LEU A 61 11.866 -19.961 33.048 1.00 0.00 O ATOM 902 CB LEU A 61 10.490 -21.589 30.783 1.00 0.00 C ATOM 903 CG LEU A 61 9.797 -21.150 29.493 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.173 -22.344 28.789 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.744 -20.091 29.787 1.00 0.00 C ATOM 0 H LEU A 61 12.430 -23.007 30.149 1.00 0.00 H new ATOM 0 HA LEU A 61 12.075 -20.175 30.455 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.463 -22.678 30.834 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.911 -21.216 31.628 1.00 0.00 H new ATOM 0 HG LEU A 61 10.546 -20.715 28.831 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.684 -22.012 27.873 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.950 -23.069 28.544 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.437 -22.809 29.445 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.261 -19.790 28.857 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.998 -20.499 30.468 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.218 -19.224 30.246 1.00 0.00 H new ATOM 917 N ARG A 62 12.970 -21.921 33.004 1.00 0.00 N ATOM 918 CA ARG A 62 13.341 -21.869 34.414 1.00 0.00 C ATOM 919 C ARG A 62 14.461 -20.859 34.644 1.00 0.00 C ATOM 920 O ARG A 62 14.450 -20.120 35.629 1.00 0.00 O ATOM 921 CB ARG A 62 13.779 -23.252 34.899 1.00 0.00 C ATOM 922 CG ARG A 62 12.642 -24.258 34.978 1.00 0.00 C ATOM 923 CD ARG A 62 12.479 -24.804 36.388 1.00 0.00 C ATOM 924 NE ARG A 62 11.603 -23.965 37.202 1.00 0.00 N ATOM 925 CZ ARG A 62 11.175 -24.306 38.412 1.00 0.00 C ATOM 926 NH1 ARG A 62 11.539 -25.464 38.946 1.00 0.00 N ATOM 927 NH2 ARG A 62 10.380 -23.489 39.091 1.00 0.00 N ATOM 0 H ARG A 62 13.302 -22.749 32.510 1.00 0.00 H new ATOM 0 HA ARG A 62 12.467 -21.552 34.983 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.547 -23.637 34.228 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.236 -23.155 35.884 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.713 -23.785 34.660 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.833 -25.080 34.288 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.072 -25.814 36.341 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.457 -24.876 36.864 1.00 0.00 H new ATOM 0 HE ARG A 62 11.304 -23.068 36.820 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.149 -26.095 38.427 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.209 -25.723 39.876 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.097 -22.598 38.684 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.052 -23.752 40.020 1.00 0.00 H new ATOM 941 N ILE A 63 15.425 -20.834 33.731 1.00 0.00 N ATOM 942 CA ILE A 63 16.551 -19.914 33.835 1.00 0.00 C ATOM 943 C ILE A 63 16.161 -18.513 33.376 1.00 0.00 C ATOM 944 O ILE A 63 16.735 -17.520 33.821 1.00 0.00 O ATOM 945 CB ILE A 63 17.753 -20.399 33.003 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.392 -20.431 31.516 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.203 -21.774 33.474 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.539 -20.853 30.625 1.00 0.00 C ATOM 0 H ILE A 63 15.449 -21.440 32.911 1.00 0.00 H new ATOM 0 HA ILE A 63 16.836 -19.883 34.886 1.00 0.00 H new ATOM 0 HB ILE A 63 18.578 -19.701 33.143 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.557 -21.115 31.368 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.051 -19.441 31.212 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.053 -22.103 32.876 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.495 -21.722 34.523 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.383 -22.484 33.361 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.211 -20.853 29.585 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.368 -20.155 30.744 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.866 -21.855 30.903 1.00 0.00 H new ATOM 960 N GLY A 64 15.179 -18.441 32.482 1.00 0.00 N ATOM 961 CA GLY A 64 14.728 -17.157 31.978 1.00 0.00 C ATOM 962 C GLY A 64 14.296 -17.224 30.526 1.00 0.00 C ATOM 963 O GLY A 64 13.342 -16.556 30.125 1.00 0.00 O ATOM 0 H GLY A 64 14.688 -19.249 32.098 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.895 -16.804 32.586 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.531 -16.427 32.082 1.00 0.00 H new ATOM 967 N ILE A 65 14.998 -18.030 29.738 1.00 0.00 N ATOM 968 CA ILE A 65 14.682 -18.179 28.323 1.00 0.00 C ATOM 969 C ILE A 65 13.206 -18.502 28.121 1.00 0.00 C ATOM 970 O ILE A 65 12.771 -19.635 28.333 1.00 0.00 O ATOM 971 CB ILE A 65 15.532 -19.286 27.670 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.022 -18.971 27.822 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.165 -19.439 26.202 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.920 -20.161 27.565 1.00 0.00 C ATOM 0 H ILE A 65 15.789 -18.590 30.055 1.00 0.00 H new ATOM 0 HA ILE A 65 14.912 -17.226 27.846 1.00 0.00 H new ATOM 0 HB ILE A 65 15.325 -20.229 28.176 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.288 -18.170 27.133 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.205 -18.598 28.830 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.774 -20.225 25.755 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.111 -19.704 26.116 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.347 -18.499 25.682 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.961 -19.865 27.690 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.681 -20.956 28.271 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.765 -20.521 26.548 1.00 0.00 H new ATOM 986 N THR A 66 12.437 -17.500 27.707 1.00 0.00 N ATOM 987 CA THR A 66 11.009 -17.676 27.475 1.00 0.00 C ATOM 988 C THR A 66 10.628 -17.269 26.056 1.00 0.00 C ATOM 989 O THR A 66 9.452 -17.067 25.752 1.00 0.00 O ATOM 990 CB THR A 66 10.172 -16.856 28.474 1.00 0.00 C ATOM 991 OG1 THR A 66 10.505 -15.467 28.368 1.00 0.00 O ATOM 992 CG2 THR A 66 10.411 -17.332 29.899 1.00 0.00 C ATOM 0 H THR A 66 12.780 -16.557 27.525 1.00 0.00 H new ATOM 0 HA THR A 66 10.794 -18.735 27.616 1.00 0.00 H new ATOM 0 HB THR A 66 9.118 -16.996 28.232 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.967 -14.952 29.005 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.809 -16.738 30.587 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.130 -18.382 29.984 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.466 -17.218 30.149 1.00 0.00 H new ATOM 1000 N LEU A 67 11.629 -17.152 25.190 1.00 0.00 N ATOM 1001 CA LEU A 67 11.398 -16.769 23.802 1.00 0.00 C ATOM 1002 C LEU A 67 10.965 -17.973 22.971 1.00 0.00 C ATOM 1003 O LEU A 67 11.730 -18.917 22.781 1.00 0.00 O ATOM 1004 CB LEU A 67 12.665 -16.153 23.205 1.00 0.00 C ATOM 1005 CG LEU A 67 12.854 -14.653 23.437 1.00 0.00 C ATOM 1006 CD1 LEU A 67 11.863 -13.855 22.604 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.705 -14.319 24.913 1.00 0.00 C ATOM 0 H LEU A 67 12.608 -17.317 25.425 1.00 0.00 H new ATOM 0 HA LEU A 67 10.598 -16.029 23.783 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.528 -16.676 23.617 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.663 -16.337 22.131 1.00 0.00 H new ATOM 0 HG LEU A 67 13.862 -14.380 23.124 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.012 -12.790 22.782 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.019 -14.072 21.547 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.847 -14.131 22.885 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.843 -13.248 25.059 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.710 -14.607 25.253 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.455 -14.863 25.487 1.00 0.00 H new ATOM 1019 N ALA A 68 9.732 -17.930 22.475 1.00 0.00 N ATOM 1020 CA ALA A 68 9.198 -19.014 21.661 1.00 0.00 C ATOM 1021 C ALA A 68 10.039 -19.224 20.406 1.00 0.00 C ATOM 1022 O ALA A 68 10.157 -20.341 19.906 1.00 0.00 O ATOM 1023 CB ALA A 68 7.751 -18.730 21.287 1.00 0.00 C ATOM 0 H ALA A 68 9.085 -17.156 22.623 1.00 0.00 H new ATOM 0 HA ALA A 68 9.236 -19.930 22.250 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.365 -19.548 20.679 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.152 -18.638 22.193 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.697 -17.800 20.720 1.00 0.00 H new ATOM 1029 N GLY A 69 10.621 -18.140 19.901 1.00 0.00 N ATOM 1030 CA GLY A 69 11.442 -18.227 18.708 1.00 0.00 C ATOM 1031 C GLY A 69 12.847 -18.712 19.005 1.00 0.00 C ATOM 1032 O GLY A 69 13.548 -19.191 18.113 1.00 0.00 O ATOM 0 H GLY A 69 10.538 -17.204 20.297 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.971 -18.903 17.995 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.492 -17.247 18.233 1.00 0.00 H new ATOM 1036 N HIS A 70 13.261 -18.588 20.262 1.00 0.00 N ATOM 1037 CA HIS A 70 14.592 -19.017 20.675 1.00 0.00 C ATOM 1038 C HIS A 70 14.576 -20.471 21.137 1.00 0.00 C ATOM 1039 O HIS A 70 15.458 -21.253 20.785 1.00 0.00 O ATOM 1040 CB HIS A 70 15.116 -18.119 21.796 1.00 0.00 C ATOM 1041 CG HIS A 70 15.310 -16.693 21.381 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.889 -15.744 22.196 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.000 -16.057 20.227 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.924 -14.585 21.562 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.391 -14.749 20.365 1.00 0.00 N ATOM 0 H HIS A 70 12.694 -18.194 21.012 1.00 0.00 H new ATOM 0 HA HIS A 70 15.256 -18.935 19.814 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.419 -18.153 22.633 1.00 0.00 H new ATOM 0 HB3 HIS A 70 16.065 -18.517 22.155 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.532 -16.497 19.359 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.321 -13.661 21.956 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.287 -14.021 19.658 1.00 0.00 H new ATOM 1053 N GLN A 71 13.568 -20.824 21.928 1.00 0.00 N ATOM 1054 CA GLN A 71 13.438 -22.183 22.439 1.00 0.00 C ATOM 1055 C GLN A 71 13.433 -23.196 21.299 1.00 0.00 C ATOM 1056 O GLN A 71 14.028 -24.268 21.403 1.00 0.00 O ATOM 1057 CB GLN A 71 12.158 -22.320 23.265 1.00 0.00 C ATOM 1058 CG GLN A 71 12.255 -21.693 24.646 1.00 0.00 C ATOM 1059 CD GLN A 71 10.932 -21.706 25.387 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.810 -20.852 26.397 1.00 0.00 O flip ATOM 1061 NE2 GLN A 71 10.029 -22.474 25.055 1.00 0.00 N flip ATOM 0 H GLN A 71 12.830 -20.188 22.229 1.00 0.00 H new ATOM 0 HA GLN A 71 14.297 -22.387 23.078 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.334 -21.857 22.722 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.916 -23.377 23.371 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.001 -22.229 25.233 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.603 -20.665 24.550 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.166 -23.114 24.272 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.144 -22.470 25.562 1.00 0.00 H new ATOM 1070 N LYS A 72 12.756 -22.848 20.209 1.00 0.00 N ATOM 1071 CA LYS A 72 12.673 -23.725 19.047 1.00 0.00 C ATOM 1072 C LYS A 72 14.064 -24.105 18.552 1.00 0.00 C ATOM 1073 O LYS A 72 14.250 -25.155 17.936 1.00 0.00 O ATOM 1074 CB LYS A 72 11.888 -23.044 17.924 1.00 0.00 C ATOM 1075 CG LYS A 72 10.995 -23.994 17.144 1.00 0.00 C ATOM 1076 CD LYS A 72 9.775 -23.281 16.586 1.00 0.00 C ATOM 1077 CE LYS A 72 8.542 -23.536 17.439 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.606 -24.495 16.789 1.00 0.00 N ATOM 0 H LYS A 72 12.257 -21.964 20.107 1.00 0.00 H new ATOM 0 HA LYS A 72 12.152 -24.635 19.346 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.275 -22.250 18.350 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.589 -22.571 17.237 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.562 -24.440 16.327 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.676 -24.810 17.793 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.969 -22.210 16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.590 -23.619 15.566 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.847 -23.927 18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.026 -22.593 17.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.779 -24.642 17.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.295 -24.111 15.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.090 -25.403 16.637 1.00 0.00 H new ATOM 1092 N LYS A 73 15.040 -23.246 18.826 1.00 0.00 N ATOM 1093 CA LYS A 73 16.416 -23.492 18.410 1.00 0.00 C ATOM 1094 C LYS A 73 17.146 -24.358 19.432 1.00 0.00 C ATOM 1095 O LYS A 73 17.741 -25.378 19.082 1.00 0.00 O ATOM 1096 CB LYS A 73 17.159 -22.167 18.225 1.00 0.00 C ATOM 1097 CG LYS A 73 18.555 -22.328 17.648 1.00 0.00 C ATOM 1098 CD LYS A 73 18.838 -21.289 16.576 1.00 0.00 C ATOM 1099 CE LYS A 73 19.828 -21.809 15.544 1.00 0.00 C ATOM 1100 NZ LYS A 73 20.318 -20.724 14.650 1.00 0.00 N ATOM 0 H LYS A 73 14.904 -22.373 19.335 1.00 0.00 H new ATOM 0 HA LYS A 73 16.393 -24.024 17.459 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.576 -21.522 17.568 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.229 -21.662 19.188 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.292 -22.239 18.446 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.662 -23.327 17.225 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.907 -21.012 16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.234 -20.385 17.039 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.674 -22.270 16.053 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.354 -22.587 14.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.990 -21.119 13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.514 -20.300 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.793 -19.994 15.218 1.00 0.00 H new ATOM 1114 N ILE A 74 17.094 -23.946 20.694 1.00 0.00 N ATOM 1115 CA ILE A 74 17.749 -24.687 21.766 1.00 0.00 C ATOM 1116 C ILE A 74 17.325 -26.152 21.760 1.00 0.00 C ATOM 1117 O ILE A 74 18.151 -27.048 21.586 1.00 0.00 O ATOM 1118 CB ILE A 74 17.433 -24.078 23.145 1.00 0.00 C ATOM 1119 CG1 ILE A 74 17.881 -22.616 23.195 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.109 -24.882 24.246 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.480 -21.905 24.469 1.00 0.00 C ATOM 0 H ILE A 74 16.606 -23.104 21.000 1.00 0.00 H new ATOM 0 HA ILE A 74 18.822 -24.621 21.586 1.00 0.00 H new ATOM 0 HB ILE A 74 16.355 -24.114 23.304 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.965 -22.573 23.090 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.457 -22.085 22.343 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.877 -24.440 25.215 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.747 -25.910 24.220 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.188 -24.873 24.093 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.830 -20.873 24.436 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.394 -21.917 24.566 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.926 -22.412 25.325 1.00 0.00 H new ATOM 1133 N LEU A 75 16.031 -26.388 21.950 1.00 0.00 N ATOM 1134 CA LEU A 75 15.496 -27.745 21.965 1.00 0.00 C ATOM 1135 C LEU A 75 15.925 -28.514 20.720 1.00 0.00 C ATOM 1136 O LEU A 75 16.373 -29.656 20.808 1.00 0.00 O ATOM 1137 CB LEU A 75 13.969 -27.710 22.056 1.00 0.00 C ATOM 1138 CG LEU A 75 13.386 -27.099 23.331 1.00 0.00 C ATOM 1139 CD1 LEU A 75 11.905 -26.804 23.153 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.608 -28.027 24.517 1.00 0.00 C ATOM 0 H LEU A 75 15.334 -25.658 22.096 1.00 0.00 H new ATOM 0 HA LEU A 75 15.895 -28.257 22.840 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.587 -27.151 21.202 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.596 -28.730 21.962 1.00 0.00 H new ATOM 0 HG LEU A 75 13.901 -26.159 23.529 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.508 -26.370 24.070 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.770 -26.101 22.331 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.374 -27.729 22.930 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.187 -27.576 25.416 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.120 -28.983 24.327 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.677 -28.187 24.658 1.00 0.00 H new ATOM 1152 N ASN A 76 15.787 -27.878 19.561 1.00 0.00 N ATOM 1153 CA ASN A 76 16.162 -28.501 18.297 1.00 0.00 C ATOM 1154 C ASN A 76 17.609 -28.982 18.337 1.00 0.00 C ATOM 1155 O ASN A 76 17.980 -29.925 17.637 1.00 0.00 O ATOM 1156 CB ASN A 76 15.971 -27.517 17.142 1.00 0.00 C ATOM 1157 CG ASN A 76 14.614 -27.658 16.480 1.00 0.00 C ATOM 1158 OD1 ASN A 76 14.509 -27.681 15.254 1.00 0.00 O ATOM 1159 ND2 ASN A 76 13.567 -27.753 17.292 1.00 0.00 N ATOM 0 H ASN A 76 15.418 -26.931 19.471 1.00 0.00 H new ATOM 0 HA ASN A 76 15.515 -29.364 18.140 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.087 -26.499 17.513 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.753 -27.677 16.399 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.628 -27.850 16.905 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.702 -27.729 18.303 1.00 0.00 H new ATOM 1166 N SER A 77 18.422 -28.328 19.160 1.00 0.00 N ATOM 1167 CA SER A 77 19.830 -28.687 19.289 1.00 0.00 C ATOM 1168 C SER A 77 20.024 -29.749 20.367 1.00 0.00 C ATOM 1169 O SER A 77 20.652 -30.781 20.130 1.00 0.00 O ATOM 1170 CB SER A 77 20.665 -27.448 19.622 1.00 0.00 C ATOM 1171 OG SER A 77 21.957 -27.536 19.048 1.00 0.00 O ATOM 0 H SER A 77 18.130 -27.547 19.748 1.00 0.00 H new ATOM 0 HA SER A 77 20.164 -29.097 18.336 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.160 -26.555 19.254 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.750 -27.343 20.704 1.00 0.00 H new ATOM 0 HG SER A 77 22.220 -26.659 18.698 1.00 0.00 H new ATOM 1177 N ILE A 78 19.480 -29.488 21.551 1.00 0.00 N ATOM 1178 CA ILE A 78 19.591 -30.421 22.665 1.00 0.00 C ATOM 1179 C ILE A 78 19.137 -31.819 22.259 1.00 0.00 C ATOM 1180 O ILE A 78 19.783 -32.814 22.587 1.00 0.00 O ATOM 1181 CB ILE A 78 18.761 -29.955 23.875 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.216 -28.567 24.330 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.877 -30.956 25.015 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.425 -28.024 25.498 1.00 0.00 C ATOM 0 H ILE A 78 18.958 -28.638 21.763 1.00 0.00 H new ATOM 0 HA ILE A 78 20.643 -30.451 22.947 1.00 0.00 H new ATOM 0 HB ILE A 78 17.715 -29.894 23.576 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.270 -28.611 24.605 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.134 -27.874 23.493 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.285 -30.612 25.863 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.509 -31.927 24.685 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.921 -31.047 25.315 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.803 -27.037 25.766 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.374 -27.947 25.221 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.527 -28.696 26.350 1.00 0.00 H new ATOM 1196 N HIS A 79 18.020 -31.887 21.540 1.00 0.00 N ATOM 1197 CA HIS A 79 17.480 -33.163 21.086 1.00 0.00 C ATOM 1198 C HIS A 79 18.490 -33.902 20.214 1.00 0.00 C ATOM 1199 O HIS A 79 18.588 -35.128 20.262 1.00 0.00 O ATOM 1200 CB HIS A 79 16.182 -32.944 20.309 1.00 0.00 C ATOM 1201 CG HIS A 79 15.196 -34.061 20.462 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.848 -33.916 20.208 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.369 -35.348 20.843 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.235 -35.065 20.429 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.135 -35.951 20.814 1.00 0.00 N ATOM 0 H HIS A 79 17.472 -31.073 21.260 1.00 0.00 H new ATOM 0 HA HIS A 79 17.270 -33.773 21.965 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.721 -32.015 20.643 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.417 -32.821 19.252 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.303 -35.814 21.119 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.177 -35.249 20.314 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.945 -36.925 21.051 1.00 0.00 H new ATOM 1213 N SER A 80 19.240 -33.147 19.416 1.00 0.00 N ATOM 1214 CA SER A 80 20.240 -33.730 18.529 1.00 0.00 C ATOM 1215 C SER A 80 21.528 -34.032 19.288 1.00 0.00 C ATOM 1216 O SER A 80 22.290 -34.922 18.910 1.00 0.00 O ATOM 1217 CB SER A 80 20.531 -32.784 17.363 1.00 0.00 C ATOM 1218 OG SER A 80 19.635 -33.008 16.288 1.00 0.00 O ATOM 0 H SER A 80 19.174 -32.130 19.366 1.00 0.00 H new ATOM 0 HA SER A 80 19.842 -34.666 18.137 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.449 -31.751 17.700 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.556 -32.927 17.022 1.00 0.00 H new ATOM 0 HG SER A 80 19.841 -32.390 15.556 1.00 0.00 H new ATOM 1224 N MET A 81 21.765 -33.285 20.361 1.00 0.00 N ATOM 1225 CA MET A 81 22.961 -33.473 21.174 1.00 0.00 C ATOM 1226 C MET A 81 22.900 -34.795 21.933 1.00 0.00 C ATOM 1227 O MET A 81 23.799 -35.628 21.819 1.00 0.00 O ATOM 1228 CB MET A 81 23.122 -32.313 22.159 1.00 0.00 C ATOM 1229 CG MET A 81 24.253 -31.364 21.801 1.00 0.00 C ATOM 1230 SD MET A 81 24.957 -30.546 23.245 1.00 0.00 S ATOM 1231 CE MET A 81 23.696 -29.321 23.589 1.00 0.00 C ATOM 0 H MET A 81 21.145 -32.544 20.688 1.00 0.00 H new ATOM 0 HA MET A 81 23.823 -33.496 20.507 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.188 -31.752 22.203 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.299 -32.716 23.156 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.037 -31.918 21.284 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.883 -30.610 21.106 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.115 -28.534 24.216 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.342 -28.890 22.652 1.00 0.00 H new ATOM 0 HE3 MET A 81 22.862 -29.793 24.109 1.00 0.00 H new ATOM 1241 N ARG A 82 21.835 -34.980 22.706 1.00 0.00 N ATOM 1242 CA ARG A 82 21.658 -36.200 23.484 1.00 0.00 C ATOM 1243 C ARG A 82 21.805 -37.435 22.600 1.00 0.00 C ATOM 1244 O ARG A 82 22.423 -38.424 22.994 1.00 0.00 O ATOM 1245 CB ARG A 82 20.286 -36.204 24.161 1.00 0.00 C ATOM 1246 CG ARG A 82 19.132 -35.966 23.201 1.00 0.00 C ATOM 1247 CD ARG A 82 17.863 -35.576 23.941 1.00 0.00 C ATOM 1248 NE ARG A 82 16.710 -36.355 23.499 1.00 0.00 N ATOM 1249 CZ ARG A 82 15.513 -36.287 24.072 1.00 0.00 C ATOM 1250 NH1 ARG A 82 15.314 -35.479 25.104 1.00 0.00 N ATOM 1251 NH2 ARG A 82 14.513 -37.028 23.613 1.00 0.00 N ATOM 0 H ARG A 82 21.082 -34.300 22.810 1.00 0.00 H new ATOM 0 HA ARG A 82 22.433 -36.228 24.250 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.140 -37.161 24.661 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.269 -35.435 24.933 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.400 -35.179 22.496 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.951 -36.868 22.617 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.009 -35.720 25.012 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.665 -34.515 23.786 1.00 0.00 H new ATOM 0 HE ARG A 82 16.830 -36.986 22.707 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.081 -34.908 25.460 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.394 -35.428 25.542 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.662 -37.651 22.819 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.595 -36.975 24.054 1.00 0.00 H new