USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 512 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 38 GLN : amide:sc= 0 X(o=-3.1,f=-3.1) USER MOD Set 2.3: A 64 HIS :FLIP no HD1:sc= -3.08! C(o=-6.1!,f=-3.1!) USER MOD Single : A 30 GLN : amide:sc= -0.486 K(o=-0.49,f=-3.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.882 X(o=-0.88,f=-1.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 152:sc= -0.313 (180deg=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.88! C(o=-4.9!,f=-9.5!) USER MOD Single : A 46 MET CE :methyl -151:sc= -0.467 (180deg=-1.15) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc=-0.00455 (180deg=-0.123) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00251) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= 0.58 (180deg=-0.0428) USER MOD Single : A 59 THR OG1 : rot 160:sc= 0.00735 USER MOD Single : A 62 GLN : amide:sc= -0.0355 X(o=-0.036,f=-0.065) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 66 GLN : amide:sc= 0.207 X(o=0.21,f=0.05) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.89! C(o=-2.9!,f=-5.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 81 GLN : amide:sc= -0.2 K(o=-0.2,f=-2.5!) USER MOD Single : A 83 GLN : amide:sc= -2.8! C(o=-2.8!,f=-12!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.01 K(o=-2,f=-3.3) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.159 7.519 3.584 1.00 0.00 N ATOM 398 CA GLU A 28 5.917 8.215 3.900 1.00 0.00 C ATOM 399 C GLU A 28 5.059 8.388 2.650 1.00 0.00 C ATOM 400 O GLU A 28 5.577 8.529 1.543 1.00 0.00 O ATOM 401 CB GLU A 28 6.216 9.581 4.521 1.00 0.00 C ATOM 402 CG GLU A 28 4.986 10.279 5.076 1.00 0.00 C ATOM 403 CD GLU A 28 4.026 9.320 5.752 1.00 0.00 C ATOM 404 OE1 GLU A 28 4.455 8.615 6.690 1.00 0.00 O ATOM 405 OE2 GLU A 28 2.846 9.273 5.345 1.00 0.00 O ATOM 0 HA GLU A 28 5.364 7.611 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.944 9.455 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.677 10.220 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.297 11.040 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.469 10.794 4.266 1.00 0.00 H new ATOM 412 N TRP A 29 3.744 8.377 2.837 1.00 0.00 N ATOM 413 CA TRP A 29 2.813 8.533 1.726 1.00 0.00 C ATOM 414 C TRP A 29 1.726 9.548 2.064 1.00 0.00 C ATOM 415 O TRP A 29 0.990 9.380 3.036 1.00 0.00 O ATOM 416 CB TRP A 29 2.179 7.187 1.372 1.00 0.00 C ATOM 417 CG TRP A 29 3.095 6.282 0.604 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.144 5.564 1.102 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.044 6.002 -0.799 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.748 4.853 0.093 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.092 5.105 -1.083 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.215 6.420 -1.843 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.331 4.621 -2.366 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.453 5.940 -3.116 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.503 5.047 -3.369 1.00 0.00 C ATOM 0 H TRP A 29 3.299 8.262 3.747 1.00 0.00 H new ATOM 0 HA TRP A 29 3.372 8.901 0.866 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.871 6.686 2.290 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.277 7.361 0.786 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.454 5.556 2.137 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.554 4.237 0.202 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.402 7.107 -1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.141 3.934 -2.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.819 6.258 -3.930 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.662 4.688 -4.375 1.00 0.00 H new ATOM 436 N GLN A 30 1.631 10.599 1.256 1.00 0.00 N ATOM 437 CA GLN A 30 0.634 11.640 1.472 1.00 0.00 C ATOM 438 C GLN A 30 -0.225 11.837 0.227 1.00 0.00 C ATOM 439 O GLN A 30 0.210 11.558 -0.890 1.00 0.00 O ATOM 440 CB GLN A 30 1.314 12.957 1.851 1.00 0.00 C ATOM 441 CG GLN A 30 2.272 12.831 3.024 1.00 0.00 C ATOM 442 CD GLN A 30 2.829 14.170 3.469 1.00 0.00 C ATOM 443 OE1 GLN A 30 2.204 14.886 4.252 1.00 0.00 O ATOM 444 NE2 GLN A 30 4.010 14.515 2.970 1.00 0.00 N ATOM 0 H GLN A 30 2.232 10.752 0.446 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.012 11.325 2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.859 13.337 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.549 13.694 2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.756 12.360 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.096 12.173 2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.493 13.891 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.435 15.404 3.233 1.00 0.00 H new ATOM 453 N TYR A 31 -1.446 12.320 0.428 1.00 0.00 N ATOM 454 CA TYR A 31 -2.368 12.552 -0.678 1.00 0.00 C ATOM 455 C TYR A 31 -2.822 14.008 -0.713 1.00 0.00 C ATOM 456 O TYR A 31 -2.953 14.653 0.327 1.00 0.00 O ATOM 457 CB TYR A 31 -3.583 11.630 -0.559 1.00 0.00 C ATOM 458 CG TYR A 31 -4.430 11.899 0.664 1.00 0.00 C ATOM 459 CD1 TYR A 31 -3.981 11.555 1.933 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.679 12.497 0.550 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.752 11.799 3.054 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.456 12.746 1.665 1.00 0.00 C ATOM 463 CZ TYR A 31 -5.988 12.395 2.914 1.00 0.00 C ATOM 464 OH TYR A 31 -6.760 12.640 4.027 1.00 0.00 O ATOM 0 H TYR A 31 -1.820 12.559 1.346 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.843 12.332 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.201 11.741 -1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.242 10.595 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.013 11.089 2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.049 12.772 -0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.389 11.525 4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.424 13.213 1.559 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.477 13.267 3.796 1.00 0.00 H new ATOM 474 N ILE A 32 -3.060 14.518 -1.916 1.00 0.00 N ATOM 475 CA ILE A 32 -3.501 15.896 -2.088 1.00 0.00 C ATOM 476 C ILE A 32 -5.008 15.968 -2.312 1.00 0.00 C ATOM 477 O ILE A 32 -5.506 15.588 -3.372 1.00 0.00 O ATOM 478 CB ILE A 32 -2.784 16.574 -3.271 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.361 16.971 -2.874 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.569 17.790 -3.739 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.332 15.900 -3.162 1.00 0.00 C ATOM 0 H ILE A 32 -2.955 13.997 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.247 16.425 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.725 15.864 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.085 17.881 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.341 17.205 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.050 18.258 -4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.564 17.480 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.656 18.504 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.653 16.250 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.584 14.995 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.323 15.682 -4.230 1.00 0.00 H new ATOM 493 N ASP A 33 -5.727 16.458 -1.309 1.00 0.00 N ATOM 494 CA ASP A 33 -7.177 16.583 -1.397 1.00 0.00 C ATOM 495 C ASP A 33 -7.568 17.740 -2.311 1.00 0.00 C ATOM 496 O ASP A 33 -6.731 18.561 -2.684 1.00 0.00 O ATOM 497 CB ASP A 33 -7.778 16.790 -0.006 1.00 0.00 C ATOM 498 CG ASP A 33 -9.285 16.622 0.005 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.993 17.613 -0.269 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.755 15.501 0.289 1.00 0.00 O ATOM 0 H ASP A 33 -5.329 16.775 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.572 15.659 -1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.331 16.079 0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.524 17.788 0.351 1.00 0.00 H new ATOM 505 N LYS A 34 -8.847 17.798 -2.669 1.00 0.00 N ATOM 506 CA LYS A 34 -9.351 18.853 -3.539 1.00 0.00 C ATOM 507 C LYS A 34 -8.535 20.131 -3.374 1.00 0.00 C ATOM 508 O LYS A 34 -7.776 20.514 -4.264 1.00 0.00 O ATOM 509 CB LYS A 34 -10.824 19.133 -3.235 1.00 0.00 C ATOM 510 CG LYS A 34 -11.720 17.918 -3.397 1.00 0.00 C ATOM 511 CD LYS A 34 -13.177 18.259 -3.129 1.00 0.00 C ATOM 512 CE LYS A 34 -13.852 18.829 -4.367 1.00 0.00 C ATOM 513 NZ LYS A 34 -15.141 19.499 -4.038 1.00 0.00 N ATOM 0 H LYS A 34 -9.553 17.126 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.257 18.514 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.911 19.505 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.178 19.926 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.618 17.522 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.397 17.133 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.707 17.364 -2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.239 18.981 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.184 19.543 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.032 18.028 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.569 19.874 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.788 18.812 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.967 20.280 -3.374 1.00 0.00 H new ATOM 527 N ASN A 35 -8.695 20.786 -2.228 1.00 0.00 N ATOM 528 CA ASN A 35 -7.971 22.020 -1.946 1.00 0.00 C ATOM 529 C ASN A 35 -7.176 21.901 -0.650 1.00 0.00 C ATOM 530 O ASN A 35 -6.780 22.905 -0.058 1.00 0.00 O ATOM 531 CB ASN A 35 -8.945 23.197 -1.853 1.00 0.00 C ATOM 532 CG ASN A 35 -8.237 24.537 -1.877 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.832 25.056 -0.836 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.084 25.105 -3.068 1.00 0.00 N ATOM 0 H ASN A 35 -9.319 20.483 -1.480 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.273 22.197 -2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.651 23.147 -2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.526 23.113 -0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.615 26.007 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.436 24.639 -3.904 1.00 0.00 H new ATOM 541 N ILE A 36 -6.945 20.666 -0.215 1.00 0.00 N ATOM 542 CA ILE A 36 -6.196 20.416 1.009 1.00 0.00 C ATOM 543 C ILE A 36 -5.126 19.351 0.791 1.00 0.00 C ATOM 544 O ILE A 36 -5.251 18.501 -0.091 1.00 0.00 O ATOM 545 CB ILE A 36 -7.123 19.968 2.155 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.314 20.921 2.278 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.353 19.904 3.465 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.471 20.561 1.371 1.00 0.00 C ATOM 0 H ILE A 36 -7.266 19.824 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.719 21.357 1.284 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.500 18.971 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.660 20.925 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.984 21.934 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.022 19.586 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.534 19.191 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.950 20.890 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.280 21.278 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.140 20.585 0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.827 19.560 1.616 1.00 0.00 H new ATOM 560 N THR A 37 -4.074 19.403 1.602 1.00 0.00 N ATOM 561 CA THR A 37 -2.982 18.443 1.498 1.00 0.00 C ATOM 562 C THR A 37 -2.784 17.692 2.810 1.00 0.00 C ATOM 563 O THR A 37 -2.164 18.204 3.741 1.00 0.00 O ATOM 564 CB THR A 37 -1.661 19.135 1.112 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.874 20.015 0.003 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.597 18.108 0.754 1.00 0.00 C ATOM 0 H THR A 37 -3.955 20.099 2.338 1.00 0.00 H new ATOM 0 HA THR A 37 -3.256 17.736 0.715 1.00 0.00 H new ATOM 0 HB THR A 37 -1.314 19.711 1.970 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.030 20.452 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.327 18.620 0.485 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.416 17.458 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.939 17.509 -0.090 1.00 0.00 H new ATOM 574 N GLN A 38 -3.314 16.475 2.875 1.00 0.00 N ATOM 575 CA GLN A 38 -3.196 15.653 4.074 1.00 0.00 C ATOM 576 C GLN A 38 -2.310 14.438 3.815 1.00 0.00 C ATOM 577 O GLN A 38 -1.866 14.210 2.690 1.00 0.00 O ATOM 578 CB GLN A 38 -4.578 15.200 4.546 1.00 0.00 C ATOM 579 CG GLN A 38 -5.486 16.347 4.958 1.00 0.00 C ATOM 580 CD GLN A 38 -6.637 15.895 5.835 1.00 0.00 C ATOM 581 OE1 GLN A 38 -7.679 15.465 5.338 1.00 0.00 O ATOM 582 NE2 GLN A 38 -6.456 15.988 7.147 1.00 0.00 N ATOM 0 H GLN A 38 -3.829 16.036 2.112 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.734 16.257 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.059 14.636 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.460 14.520 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.900 17.095 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.883 16.830 4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.577 16.350 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.196 15.697 7.786 1.00 0.00 H new ATOM 591 N CYS A 39 -2.057 13.663 4.864 1.00 0.00 N ATOM 592 CA CYS A 39 -1.224 12.472 4.751 1.00 0.00 C ATOM 593 C CYS A 39 -1.986 11.230 5.201 1.00 0.00 C ATOM 594 O CYS A 39 -3.009 11.328 5.879 1.00 0.00 O ATOM 595 CB CYS A 39 0.049 12.633 5.584 1.00 0.00 C ATOM 596 SG CYS A 39 -0.248 12.804 7.359 1.00 0.00 S ATOM 0 H CYS A 39 -2.417 13.838 5.802 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.951 12.349 3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.692 11.769 5.416 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.593 13.509 5.231 1.00 0.00 H new ATOM 0 HG CYS A 39 0.888 12.932 7.979 1.00 0.00 H new ATOM 602 N PHE A 40 -1.482 10.061 4.817 1.00 0.00 N ATOM 603 CA PHE A 40 -2.118 8.799 5.179 1.00 0.00 C ATOM 604 C PHE A 40 -1.650 8.330 6.553 1.00 0.00 C ATOM 605 O PHE A 40 -0.623 8.782 7.060 1.00 0.00 O ATOM 606 CB PHE A 40 -1.809 7.730 4.130 1.00 0.00 C ATOM 607 CG PHE A 40 -2.487 7.970 2.811 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.839 7.711 2.655 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.772 8.455 1.728 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.465 7.930 1.442 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.392 8.677 0.513 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.741 8.415 0.370 1.00 0.00 C ATOM 0 H PHE A 40 -0.636 9.962 4.256 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.195 8.960 5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.731 7.687 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.114 6.757 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.410 7.334 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.717 8.662 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.519 7.722 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.823 9.055 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.229 8.589 -0.578 1.00 0.00 H new ATOM 622 N ASP A 41 -2.412 7.420 7.151 1.00 0.00 N ATOM 623 CA ASP A 41 -2.076 6.887 8.467 1.00 0.00 C ATOM 624 C ASP A 41 -0.865 5.964 8.387 1.00 0.00 C ATOM 625 O ASP A 41 -0.367 5.668 7.301 1.00 0.00 O ATOM 626 CB ASP A 41 -3.270 6.133 9.055 1.00 0.00 C ATOM 627 CG ASP A 41 -3.243 6.097 10.570 1.00 0.00 C ATOM 628 OD1 ASP A 41 -3.590 7.122 11.194 1.00 0.00 O ATOM 629 OD2 ASP A 41 -2.874 5.044 11.132 1.00 0.00 O ATOM 0 H ASP A 41 -3.266 7.036 6.746 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.828 7.725 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.194 6.606 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.277 5.113 8.670 1.00 0.00 H new ATOM 634 N LYS A 42 -0.394 5.513 9.544 1.00 0.00 N ATOM 635 CA LYS A 42 0.759 4.623 9.607 1.00 0.00 C ATOM 636 C LYS A 42 0.406 3.236 9.078 1.00 0.00 C ATOM 637 O LYS A 42 1.277 2.497 8.619 1.00 0.00 O ATOM 638 CB LYS A 42 1.270 4.516 11.046 1.00 0.00 C ATOM 639 CG LYS A 42 0.354 3.719 11.959 1.00 0.00 C ATOM 640 CD LYS A 42 1.085 3.239 13.201 1.00 0.00 C ATOM 641 CE LYS A 42 0.113 2.860 14.308 1.00 0.00 C ATOM 642 NZ LYS A 42 0.821 2.382 15.528 1.00 0.00 N ATOM 0 H LYS A 42 -0.794 5.750 10.452 1.00 0.00 H new ATOM 0 HA LYS A 42 1.545 5.043 8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.256 4.051 11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.393 5.519 11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.496 4.336 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.046 2.862 11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.705 2.379 12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.755 4.022 13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.504 3.722 14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.560 2.081 13.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.124 2.134 16.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.390 1.544 15.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.444 3.134 15.885 1.00 0.00 H new ATOM 656 N MET A 43 -0.876 2.892 9.143 1.00 0.00 N ATOM 657 CA MET A 43 -1.343 1.595 8.667 1.00 0.00 C ATOM 658 C MET A 43 -1.561 1.616 7.158 1.00 0.00 C ATOM 659 O MET A 43 -1.434 0.590 6.487 1.00 0.00 O ATOM 660 CB MET A 43 -2.642 1.206 9.376 1.00 0.00 C ATOM 661 CG MET A 43 -2.529 1.202 10.892 1.00 0.00 C ATOM 662 SD MET A 43 -3.762 0.147 11.678 1.00 0.00 S ATOM 663 CE MET A 43 -3.300 -1.456 11.027 1.00 0.00 C ATOM 0 H MET A 43 -1.609 3.492 9.520 1.00 0.00 H new ATOM 0 HA MET A 43 -0.576 0.854 8.895 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.429 1.899 9.080 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.947 0.215 9.040 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.533 0.864 11.177 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.639 2.221 11.263 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.587 -2.233 11.736 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.810 -1.624 10.078 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.222 -1.488 10.870 1.00 0.00 H new ATOM 673 N THR A 44 -1.889 2.790 6.628 1.00 0.00 N ATOM 674 CA THR A 44 -2.125 2.943 5.198 1.00 0.00 C ATOM 675 C THR A 44 -0.831 3.260 4.457 1.00 0.00 C ATOM 676 O THR A 44 -0.551 2.688 3.405 1.00 0.00 O ATOM 677 CB THR A 44 -3.151 4.057 4.914 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.371 3.789 5.613 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.428 4.171 3.423 1.00 0.00 C ATOM 0 H THR A 44 -1.997 3.649 7.168 1.00 0.00 H new ATOM 0 HA THR A 44 -2.522 1.993 4.840 1.00 0.00 H new ATOM 0 HB THR A 44 -2.734 5.002 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.017 4.502 5.429 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.155 4.964 3.248 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.502 4.405 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.826 3.226 3.053 1.00 0.00 H new ATOM 687 N ASN A 45 -0.044 4.174 5.015 1.00 0.00 N ATOM 688 CA ASN A 45 1.222 4.566 4.406 1.00 0.00 C ATOM 689 C ASN A 45 1.926 3.361 3.789 1.00 0.00 C ATOM 690 O ASN A 45 2.486 3.449 2.697 1.00 0.00 O ATOM 691 CB ASN A 45 2.131 5.223 5.448 1.00 0.00 C ATOM 692 CG ASN A 45 3.002 4.216 6.173 1.00 0.00 C ATOM 693 OD1 ASN A 45 2.748 3.877 7.328 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.036 3.732 5.494 1.00 0.00 N ATOM 0 H ASN A 45 -0.260 4.657 5.887 1.00 0.00 H new ATOM 0 HA ASN A 45 1.008 5.284 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.765 5.962 4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.519 5.759 6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.658 3.050 5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.208 4.042 4.538 1.00 0.00 H new ATOM 701 N MET A 46 1.891 2.237 4.497 1.00 0.00 N ATOM 702 CA MET A 46 2.524 1.013 4.018 1.00 0.00 C ATOM 703 C MET A 46 1.719 0.396 2.878 1.00 0.00 C ATOM 704 O MET A 46 2.285 -0.134 1.921 1.00 0.00 O ATOM 705 CB MET A 46 2.667 0.006 5.161 1.00 0.00 C ATOM 706 CG MET A 46 1.472 -0.922 5.306 1.00 0.00 C ATOM 707 SD MET A 46 1.651 -2.075 6.681 1.00 0.00 S ATOM 708 CE MET A 46 1.034 -1.082 8.038 1.00 0.00 C ATOM 0 H MET A 46 1.432 2.148 5.403 1.00 0.00 H new ATOM 0 HA MET A 46 3.515 1.268 3.643 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.563 -0.592 4.997 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.812 0.548 6.096 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.570 -0.327 5.451 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.338 -1.483 4.381 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.519 -1.390 8.964 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.250 -0.031 7.847 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.043 -1.220 8.130 1.00 0.00 H new ATOM 718 N LYS A 47 0.397 0.467 2.987 1.00 0.00 N ATOM 719 CA LYS A 47 -0.486 -0.084 1.966 1.00 0.00 C ATOM 720 C LYS A 47 -0.172 0.510 0.597 1.00 0.00 C ATOM 721 O LYS A 47 -0.407 -0.121 -0.434 1.00 0.00 O ATOM 722 CB LYS A 47 -1.948 0.185 2.328 1.00 0.00 C ATOM 723 CG LYS A 47 -2.441 -0.626 3.513 1.00 0.00 C ATOM 724 CD LYS A 47 -3.958 -0.631 3.594 1.00 0.00 C ATOM 725 CE LYS A 47 -4.487 0.642 4.237 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.966 0.606 4.405 1.00 0.00 N ATOM 0 H LYS A 47 -0.087 0.901 3.773 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.322 -1.161 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.070 1.245 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.574 -0.034 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.077 -1.650 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.028 -0.214 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.376 -0.735 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.290 -1.495 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.014 0.781 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.212 1.500 3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.287 1.491 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.419 0.499 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.227 -0.198 5.011 1.00 0.00 H new ATOM 740 N LEU A 48 0.361 1.727 0.594 1.00 0.00 N ATOM 741 CA LEU A 48 0.709 2.406 -0.650 1.00 0.00 C ATOM 742 C LEU A 48 2.121 2.039 -1.094 1.00 0.00 C ATOM 743 O LEU A 48 2.344 1.680 -2.249 1.00 0.00 O ATOM 744 CB LEU A 48 0.595 3.922 -0.475 1.00 0.00 C ATOM 745 CG LEU A 48 -0.811 4.464 -0.218 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.756 5.939 0.148 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.696 4.248 -1.438 1.00 0.00 C ATOM 0 H LEU A 48 0.562 2.264 1.438 1.00 0.00 H new ATOM 0 HA LEU A 48 0.010 2.081 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.235 4.221 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.990 4.402 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.243 3.919 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.766 6.307 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.157 6.068 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.305 6.500 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.693 4.640 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.267 4.768 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.762 3.182 -1.656 1.00 0.00 H new ATOM 759 N GLU A 49 3.071 2.130 -0.168 1.00 0.00 N ATOM 760 CA GLU A 49 4.461 1.806 -0.465 1.00 0.00 C ATOM 761 C GLU A 49 4.591 0.368 -0.957 1.00 0.00 C ATOM 762 O GLU A 49 5.277 0.097 -1.943 1.00 0.00 O ATOM 763 CB GLU A 49 5.332 2.012 0.776 1.00 0.00 C ATOM 764 CG GLU A 49 5.443 0.778 1.654 1.00 0.00 C ATOM 765 CD GLU A 49 6.268 1.022 2.903 1.00 0.00 C ATOM 766 OE1 GLU A 49 5.685 1.426 3.930 1.00 0.00 O ATOM 767 OE2 GLU A 49 7.498 0.808 2.852 1.00 0.00 O ATOM 0 H GLU A 49 2.903 2.425 0.794 1.00 0.00 H new ATOM 0 HA GLU A 49 4.802 2.475 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.331 2.315 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.921 2.831 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.444 0.450 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.891 -0.033 1.080 1.00 0.00 H new ATOM 774 N VAL A 50 3.927 -0.552 -0.263 1.00 0.00 N ATOM 775 CA VAL A 50 3.967 -1.962 -0.629 1.00 0.00 C ATOM 776 C VAL A 50 3.619 -2.159 -2.100 1.00 0.00 C ATOM 777 O VAL A 50 4.279 -2.917 -2.809 1.00 0.00 O ATOM 778 CB VAL A 50 2.997 -2.793 0.232 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.431 -2.778 1.690 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.575 -2.273 0.084 1.00 0.00 C ATOM 0 H VAL A 50 3.355 -0.345 0.556 1.00 0.00 H new ATOM 0 HA VAL A 50 4.986 -2.306 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 50 3.020 -3.825 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.734 -3.370 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.432 -3.201 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.439 -1.752 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.903 -2.871 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.533 -1.233 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.269 -2.342 -0.960 1.00 0.00 H new ATOM 790 N ALA A 51 2.577 -1.469 -2.553 1.00 0.00 N ATOM 791 CA ALA A 51 2.142 -1.565 -3.941 1.00 0.00 C ATOM 792 C ALA A 51 3.155 -0.920 -4.880 1.00 0.00 C ATOM 793 O ALA A 51 3.351 -1.378 -6.006 1.00 0.00 O ATOM 794 CB ALA A 51 0.775 -0.919 -4.112 1.00 0.00 C ATOM 0 H ALA A 51 2.019 -0.837 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 51 2.067 -2.621 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.463 -0.998 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.050 -1.428 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.831 0.132 -3.829 1.00 0.00 H new ATOM 800 N TRP A 52 3.795 0.145 -4.410 1.00 0.00 N ATOM 801 CA TRP A 52 4.789 0.853 -5.209 1.00 0.00 C ATOM 802 C TRP A 52 6.091 0.064 -5.284 1.00 0.00 C ATOM 803 O TRP A 52 6.828 0.154 -6.266 1.00 0.00 O ATOM 804 CB TRP A 52 5.052 2.240 -4.621 1.00 0.00 C ATOM 805 CG TRP A 52 5.881 3.116 -5.511 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.456 4.206 -6.214 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.277 2.972 -5.794 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.504 4.750 -6.918 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.632 4.012 -6.676 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.262 2.069 -5.386 1.00 0.00 C ATOM 811 CZ2 TRP A 52 8.930 4.169 -7.157 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.549 2.226 -5.865 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.874 3.270 -6.741 1.00 0.00 C ATOM 0 H TRP A 52 3.644 0.537 -3.481 1.00 0.00 H new ATOM 0 HA TRP A 52 4.395 0.963 -6.219 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.098 2.731 -4.426 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.556 2.130 -3.661 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.445 4.585 -6.217 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.450 5.570 -7.522 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.022 1.263 -4.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.182 4.972 -7.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.318 1.532 -5.559 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.890 3.367 -7.095 1.00 0.00 H new ATOM 824 N LYS A 53 6.369 -0.710 -4.241 1.00 0.00 N ATOM 825 CA LYS A 53 7.583 -1.517 -4.188 1.00 0.00 C ATOM 826 C LYS A 53 7.397 -2.828 -4.947 1.00 0.00 C ATOM 827 O LYS A 53 8.334 -3.337 -5.562 1.00 0.00 O ATOM 828 CB LYS A 53 7.964 -1.807 -2.735 1.00 0.00 C ATOM 829 CG LYS A 53 8.508 -0.597 -1.996 1.00 0.00 C ATOM 830 CD LYS A 53 9.996 -0.416 -2.240 1.00 0.00 C ATOM 831 CE LYS A 53 10.260 0.522 -3.408 1.00 0.00 C ATOM 832 NZ LYS A 53 11.616 1.132 -3.334 1.00 0.00 N ATOM 0 H LYS A 53 5.770 -0.796 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 53 8.386 -0.953 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.088 -2.181 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.711 -2.600 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.974 0.297 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.325 -0.710 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.468 -0.020 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.453 -1.385 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.159 -0.027 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.507 1.310 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.757 1.764 -4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.704 1.677 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.336 0.381 -3.350 1.00 0.00 H new ATOM 846 N ALA A 54 6.184 -3.366 -4.901 1.00 0.00 N ATOM 847 CA ALA A 54 5.876 -4.615 -5.588 1.00 0.00 C ATOM 848 C ALA A 54 5.606 -4.375 -7.069 1.00 0.00 C ATOM 849 O ALA A 54 5.101 -5.253 -7.770 1.00 0.00 O ATOM 850 CB ALA A 54 4.681 -5.295 -4.936 1.00 0.00 C ATOM 0 H ALA A 54 5.398 -2.957 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 54 6.743 -5.270 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.462 -6.226 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.910 -5.510 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.814 -4.637 -4.989 1.00 0.00 H new ATOM 856 N LYS A 55 5.946 -3.180 -7.542 1.00 0.00 N ATOM 857 CA LYS A 55 5.742 -2.824 -8.941 1.00 0.00 C ATOM 858 C LYS A 55 4.297 -3.073 -9.360 1.00 0.00 C ATOM 859 O LYS A 55 4.032 -3.535 -10.471 1.00 0.00 O ATOM 860 CB LYS A 55 6.689 -3.626 -9.836 1.00 0.00 C ATOM 861 CG LYS A 55 8.128 -3.140 -9.789 1.00 0.00 C ATOM 862 CD LYS A 55 8.865 -3.453 -11.080 1.00 0.00 C ATOM 863 CE LYS A 55 8.603 -2.395 -12.141 1.00 0.00 C ATOM 864 NZ LYS A 55 9.319 -1.123 -11.845 1.00 0.00 N ATOM 0 H LYS A 55 6.364 -2.442 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 55 5.957 -1.762 -9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.658 -4.674 -9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.331 -3.578 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.144 -2.065 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.644 -3.609 -8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.935 -3.516 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.552 -4.428 -11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.918 -2.771 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.532 -2.202 -12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.313 -0.517 -12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.843 -0.631 -11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.302 -1.332 -11.576 1.00 0.00 H new ATOM 878 N LYS A 56 3.364 -2.762 -8.467 1.00 0.00 N ATOM 879 CA LYS A 56 1.945 -2.949 -8.744 1.00 0.00 C ATOM 880 C LYS A 56 1.415 -1.834 -9.641 1.00 0.00 C ATOM 881 O LYS A 56 2.102 -0.844 -9.891 1.00 0.00 O ATOM 882 CB LYS A 56 1.149 -2.989 -7.438 1.00 0.00 C ATOM 883 CG LYS A 56 1.465 -4.195 -6.570 1.00 0.00 C ATOM 884 CD LYS A 56 0.561 -5.371 -6.899 1.00 0.00 C ATOM 885 CE LYS A 56 0.656 -6.460 -5.841 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.118 -6.113 -4.617 1.00 0.00 N ATOM 0 H LYS A 56 3.566 -2.379 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 56 1.824 -3.899 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.352 -2.081 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.084 -2.989 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.506 -4.484 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.349 -3.929 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.470 -5.028 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.835 -5.781 -7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.284 -7.399 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.701 -6.619 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.056 -6.895 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.274 -5.249 -4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.114 -5.953 -4.870 1.00 0.00 H new ATOM 900 N LYS A 57 0.187 -2.001 -10.121 1.00 0.00 N ATOM 901 CA LYS A 57 -0.437 -1.009 -10.988 1.00 0.00 C ATOM 902 C LYS A 57 -1.270 -0.023 -10.174 1.00 0.00 C ATOM 903 O LYS A 57 -1.326 1.166 -10.489 1.00 0.00 O ATOM 904 CB LYS A 57 -1.319 -1.696 -12.033 1.00 0.00 C ATOM 905 CG LYS A 57 -1.607 -0.833 -13.248 1.00 0.00 C ATOM 906 CD LYS A 57 -2.748 0.136 -12.986 1.00 0.00 C ATOM 907 CE LYS A 57 -3.342 0.662 -14.284 1.00 0.00 C ATOM 908 NZ LYS A 57 -4.358 1.722 -14.040 1.00 0.00 N ATOM 0 H LYS A 57 -0.396 -2.815 -9.924 1.00 0.00 H new ATOM 0 HA LYS A 57 0.355 -0.458 -11.496 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.833 -2.616 -12.358 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.263 -1.981 -11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.711 -0.276 -13.520 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.857 -1.470 -14.097 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.524 -0.363 -12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.387 0.971 -12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.546 1.060 -14.913 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.800 -0.161 -14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.287 2.448 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.309 1.302 -14.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.189 2.158 -13.111 1.00 0.00 H new ATOM 922 N ASP A 58 -1.914 -0.524 -9.126 1.00 0.00 N ATOM 923 CA ASP A 58 -2.742 0.313 -8.265 1.00 0.00 C ATOM 924 C ASP A 58 -3.105 -0.422 -6.979 1.00 0.00 C ATOM 925 O ASP A 58 -3.155 -1.652 -6.945 1.00 0.00 O ATOM 926 CB ASP A 58 -4.014 0.737 -9.001 1.00 0.00 C ATOM 927 CG ASP A 58 -4.717 -0.433 -9.663 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.555 -1.572 -9.179 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.429 -0.208 -10.665 1.00 0.00 O ATOM 0 H ASP A 58 -1.879 -1.506 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.169 1.203 -8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.695 1.216 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.762 1.481 -9.757 1.00 0.00 H new ATOM 934 N THR A 59 -3.357 0.340 -5.919 1.00 0.00 N ATOM 935 CA THR A 59 -3.712 -0.238 -4.629 1.00 0.00 C ATOM 936 C THR A 59 -4.942 0.444 -4.041 1.00 0.00 C ATOM 937 O THR A 59 -5.059 1.669 -4.071 1.00 0.00 O ATOM 938 CB THR A 59 -2.549 -0.128 -3.625 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.951 -0.645 -2.351 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.100 1.317 -3.472 1.00 0.00 C ATOM 0 H THR A 59 -3.322 1.359 -5.929 1.00 0.00 H new ATOM 0 HA THR A 59 -3.933 -1.291 -4.804 1.00 0.00 H new ATOM 0 HB THR A 59 -1.712 -0.713 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.156 -0.872 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.278 1.369 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.767 1.699 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.933 1.920 -3.111 1.00 0.00 H new ATOM 948 N VAL A 60 -5.858 -0.357 -3.506 1.00 0.00 N ATOM 949 CA VAL A 60 -7.079 0.170 -2.909 1.00 0.00 C ATOM 950 C VAL A 60 -6.885 0.459 -1.424 1.00 0.00 C ATOM 951 O VAL A 60 -6.317 -0.351 -0.692 1.00 0.00 O ATOM 952 CB VAL A 60 -8.256 -0.809 -3.080 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.354 -0.506 -2.073 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.794 -0.750 -4.502 1.00 0.00 C ATOM 0 H VAL A 60 -5.777 -1.373 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.310 1.099 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.895 -1.820 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.177 -1.208 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.958 -0.603 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.716 0.511 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.625 -1.448 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.140 0.261 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.003 -1.021 -5.202 1.00 0.00 H new ATOM 964 N VAL A 61 -7.362 1.620 -0.985 1.00 0.00 N ATOM 965 CA VAL A 61 -7.243 2.016 0.413 1.00 0.00 C ATOM 966 C VAL A 61 -8.516 2.698 0.901 1.00 0.00 C ATOM 967 O VAL A 61 -9.269 3.265 0.111 1.00 0.00 O ATOM 968 CB VAL A 61 -6.050 2.965 0.627 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.752 2.299 0.195 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.265 4.269 -0.126 1.00 0.00 C ATOM 0 H VAL A 61 -7.834 2.303 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.080 1.104 0.988 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.977 3.193 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.920 2.985 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.594 1.395 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.811 2.039 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.412 4.928 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.366 4.062 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.172 4.753 0.237 1.00 0.00 H new ATOM 980 N GLN A 62 -8.748 2.639 2.208 1.00 0.00 N ATOM 981 CA GLN A 62 -9.930 3.252 2.802 1.00 0.00 C ATOM 982 C GLN A 62 -9.690 4.730 3.093 1.00 0.00 C ATOM 983 O GLN A 62 -9.008 5.079 4.058 1.00 0.00 O ATOM 984 CB GLN A 62 -10.316 2.523 4.090 1.00 0.00 C ATOM 985 CG GLN A 62 -10.856 1.121 3.857 1.00 0.00 C ATOM 986 CD GLN A 62 -9.761 0.073 3.819 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.038 -0.122 4.796 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.633 -0.609 2.687 1.00 0.00 N ATOM 0 H GLN A 62 -8.133 2.173 2.876 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.748 3.170 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.443 2.464 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.067 3.110 4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.564 0.873 4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.407 1.100 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.254 -0.415 1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.914 -1.327 2.603 1.00 0.00 H new ATOM 997 N ILE A 63 -10.252 5.592 2.254 1.00 0.00 N ATOM 998 CA ILE A 63 -10.099 7.032 2.422 1.00 0.00 C ATOM 999 C ILE A 63 -11.442 7.699 2.701 1.00 0.00 C ATOM 1000 O ILE A 63 -12.331 7.709 1.850 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.466 7.680 1.177 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.047 7.149 0.964 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.455 9.195 1.316 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.375 7.700 -0.274 1.00 0.00 C ATOM 0 H ILE A 63 -10.818 5.319 1.450 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.438 7.181 3.275 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.066 7.419 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.441 7.395 1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.081 6.062 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.004 9.639 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.477 9.558 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.875 9.475 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.373 7.280 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.959 7.432 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.309 8.785 -0.199 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.581 8.257 3.900 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.815 8.929 4.291 1.00 0.00 C ATOM 1018 C HIS A 64 -13.955 7.927 4.442 1.00 0.00 C ATOM 1019 O HIS A 64 -15.085 8.192 4.035 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.190 9.994 3.260 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.093 10.977 2.989 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -10.765 10.915 3.243 1.00 0.00 N flip ATOM 1023 CD2 HIS A 64 -12.310 12.199 2.386 1.00 0.00 C flip ATOM 1024 CE1 HIS A 64 -10.209 12.087 2.793 1.00 0.00 C flip ATOM 1025 NE2 HIS A 64 -11.162 12.844 2.280 1.00 0.00 N flip ATOM 0 H HIS A 64 -10.855 8.257 4.617 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.648 9.410 5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.466 9.503 2.327 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.071 10.532 3.610 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.268 12.570 2.053 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.162 12.348 2.849 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.033 13.770 1.871 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.650 6.774 5.030 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.649 5.732 5.233 1.00 0.00 C ATOM 1036 C ASN A 65 -15.182 5.221 3.898 1.00 0.00 C ATOM 1037 O ASN A 65 -16.312 4.743 3.812 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.803 6.262 6.086 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.426 6.399 7.549 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -14.900 5.466 8.156 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -15.694 7.567 8.122 1.00 0.00 N ATOM 0 H ASN A 65 -12.719 6.538 5.374 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.171 4.903 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.119 7.232 5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.657 5.590 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.463 7.718 9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.131 8.313 7.580 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.358 5.325 2.860 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.747 4.874 1.529 1.00 0.00 C ATOM 1050 C GLN A 66 -13.542 4.341 0.761 1.00 0.00 C ATOM 1051 O GLN A 66 -12.519 5.016 0.645 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.398 6.017 0.749 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.808 7.382 1.065 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.803 8.508 0.865 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -16.685 8.728 1.696 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.666 9.230 -0.241 1.00 0.00 N ATOM 0 H GLN A 66 -13.418 5.717 2.915 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.469 4.065 1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.293 5.823 -0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.466 6.033 0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.457 7.392 2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.938 7.554 0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.921 9.013 -0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.306 10.002 -0.429 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.669 3.125 0.240 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.590 2.501 -0.517 1.00 0.00 C ATOM 1067 C ASP A 67 -12.260 3.316 -1.764 1.00 0.00 C ATOM 1068 O ASP A 67 -13.153 3.722 -2.507 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.975 1.075 -0.912 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.378 0.989 -1.479 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.545 1.239 -2.692 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.310 0.671 -0.711 1.00 0.00 O ATOM 0 H ASP A 67 -14.508 2.552 0.328 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.705 2.467 0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.265 0.701 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.899 0.426 -0.039 1.00 0.00 H new ATOM 1077 N PHE A 68 -10.971 3.552 -1.986 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.522 4.320 -3.141 1.00 0.00 C ATOM 1079 C PHE A 68 -9.429 3.573 -3.900 1.00 0.00 C ATOM 1080 O PHE A 68 -8.671 2.798 -3.317 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.006 5.691 -2.699 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.061 6.761 -2.709 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.268 6.567 -2.057 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.845 7.959 -3.370 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.240 7.550 -2.065 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.813 8.945 -3.381 1.00 0.00 C ATOM 1087 CZ PHE A 68 -13.012 8.740 -2.727 1.00 0.00 C ATOM 0 H PHE A 68 -10.219 3.222 -1.381 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.373 4.457 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.594 5.608 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.189 5.991 -3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.451 5.638 -1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.909 8.124 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.177 7.387 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.632 9.875 -3.900 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.770 9.509 -2.733 1.00 0.00 H new ATOM 1097 N THR A 69 -9.355 3.811 -5.206 1.00 0.00 N ATOM 1098 CA THR A 69 -8.358 3.160 -6.046 1.00 0.00 C ATOM 1099 C THR A 69 -7.174 4.084 -6.310 1.00 0.00 C ATOM 1100 O THR A 69 -7.280 5.043 -7.075 1.00 0.00 O ATOM 1101 CB THR A 69 -8.960 2.719 -7.393 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.092 1.870 -7.169 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.926 1.983 -8.232 1.00 0.00 C ATOM 0 H THR A 69 -9.974 4.450 -5.705 1.00 0.00 H new ATOM 0 HA THR A 69 -8.015 2.279 -5.504 1.00 0.00 H new ATOM 0 HB THR A 69 -9.276 3.611 -7.934 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.470 1.595 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.374 1.681 -9.179 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.079 2.641 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.584 1.099 -7.694 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.046 3.789 -5.672 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.841 4.593 -5.840 1.00 0.00 C ATOM 1113 C VAL A 70 -3.948 4.022 -6.936 1.00 0.00 C ATOM 1114 O VAL A 70 -3.433 2.911 -6.815 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.036 4.677 -4.529 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.687 5.338 -4.772 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.824 5.430 -3.468 1.00 0.00 C ATOM 0 H VAL A 70 -5.941 3.000 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.165 5.594 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.858 3.665 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.133 5.389 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.121 4.754 -5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.840 6.346 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.241 5.480 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.034 6.440 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.762 4.910 -3.274 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.769 4.791 -8.005 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.936 4.363 -9.123 1.00 0.00 C ATOM 1129 C ASP A 71 -1.503 4.859 -8.954 1.00 0.00 C ATOM 1130 O ASP A 71 -1.255 6.064 -8.891 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.515 4.876 -10.442 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.159 3.984 -11.616 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.263 2.748 -11.475 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.777 4.523 -12.676 1.00 0.00 O ATOM 0 H ASP A 71 -4.189 5.713 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.924 3.273 -9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.600 4.945 -10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.146 5.884 -10.630 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.564 3.923 -8.881 1.00 0.00 N ATOM 1140 CA LEU A 72 0.845 4.264 -8.719 1.00 0.00 C ATOM 1141 C LEU A 72 1.418 4.839 -10.010 1.00 0.00 C ATOM 1142 O LEU A 72 2.190 5.798 -9.985 1.00 0.00 O ATOM 1143 CB LEU A 72 1.644 3.029 -8.299 1.00 0.00 C ATOM 1144 CG LEU A 72 1.170 2.322 -7.028 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.534 0.846 -7.071 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.766 2.985 -5.795 1.00 0.00 C ATOM 0 H LEU A 72 -0.752 2.922 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 72 0.922 5.022 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.623 2.311 -9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.684 3.324 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 72 0.085 2.406 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.189 0.359 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.059 0.379 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.616 0.740 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.418 2.469 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.854 2.933 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.454 4.029 -5.756 1.00 0.00 H new ATOM 1158 N SER A 73 1.034 4.249 -11.137 1.00 0.00 N ATOM 1159 CA SER A 73 1.511 4.702 -12.438 1.00 0.00 C ATOM 1160 C SER A 73 1.478 6.225 -12.529 1.00 0.00 C ATOM 1161 O SER A 73 2.491 6.864 -12.816 1.00 0.00 O ATOM 1162 CB SER A 73 0.661 4.095 -13.556 1.00 0.00 C ATOM 1163 OG SER A 73 1.405 3.977 -14.756 1.00 0.00 O ATOM 0 H SER A 73 0.394 3.456 -11.175 1.00 0.00 H new ATOM 0 HA SER A 73 2.543 4.371 -12.554 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.300 3.113 -13.250 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.217 4.718 -13.729 1.00 0.00 H new ATOM 0 HG SER A 73 0.840 3.585 -15.454 1.00 0.00 H new ATOM 1169 N THR A 74 0.306 6.801 -12.281 1.00 0.00 N ATOM 1170 CA THR A 74 0.140 8.248 -12.336 1.00 0.00 C ATOM 1171 C THR A 74 0.197 8.861 -10.941 1.00 0.00 C ATOM 1172 O THR A 74 0.421 10.061 -10.789 1.00 0.00 O ATOM 1173 CB THR A 74 -1.195 8.635 -13.000 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.295 10.060 -13.106 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.373 8.098 -12.200 1.00 0.00 C ATOM 0 H THR A 74 -0.542 6.288 -12.040 1.00 0.00 H new ATOM 0 HA THR A 74 0.962 8.638 -12.936 1.00 0.00 H new ATOM 0 HB THR A 74 -1.221 8.194 -13.996 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.146 10.298 -13.531 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.305 8.384 -12.688 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.310 7.011 -12.145 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.349 8.514 -11.193 1.00 0.00 H new ATOM 1183 N ASN A 75 -0.007 8.028 -9.925 1.00 0.00 N ATOM 1184 CA ASN A 75 0.022 8.489 -8.542 1.00 0.00 C ATOM 1185 C ASN A 75 -1.192 9.360 -8.233 1.00 0.00 C ATOM 1186 O ASN A 75 -1.056 10.496 -7.776 1.00 0.00 O ATOM 1187 CB ASN A 75 1.308 9.272 -8.270 1.00 0.00 C ATOM 1188 CG ASN A 75 2.501 8.701 -9.012 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.667 8.927 -10.210 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.338 7.955 -8.300 1.00 0.00 N ATOM 0 H ASN A 75 -0.194 7.031 -10.034 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.007 7.614 -7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.165 10.312 -8.563 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.513 9.267 -7.200 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.158 7.543 -8.745 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.161 7.794 -7.309 1.00 0.00 H new ATOM 1197 N THR A 76 -2.381 8.820 -8.485 1.00 0.00 N ATOM 1198 CA THR A 76 -3.619 9.547 -8.235 1.00 0.00 C ATOM 1199 C THR A 76 -4.721 8.608 -7.760 1.00 0.00 C ATOM 1200 O THR A 76 -4.900 7.519 -8.305 1.00 0.00 O ATOM 1201 CB THR A 76 -4.100 10.288 -9.497 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.115 11.242 -9.911 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.422 10.995 -9.239 1.00 0.00 C ATOM 0 H THR A 76 -2.512 7.881 -8.862 1.00 0.00 H new ATOM 0 HA THR A 76 -3.405 10.276 -7.454 1.00 0.00 H new ATOM 0 HB THR A 76 -4.248 9.553 -10.288 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.428 11.707 -10.715 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.741 11.511 -10.144 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.177 10.262 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.296 11.719 -8.434 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.459 9.037 -6.741 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.547 8.235 -6.194 1.00 0.00 C ATOM 1213 C ALA A 77 -7.876 8.591 -6.851 1.00 0.00 C ATOM 1214 O ALA A 77 -8.113 9.745 -7.213 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.634 8.422 -4.687 1.00 0.00 C ATOM 0 H ALA A 77 -5.323 9.935 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.336 7.187 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.450 7.818 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.696 8.110 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.818 9.472 -4.461 1.00 0.00 H new ATOM 1221 N THR A 78 -8.741 7.594 -7.004 1.00 0.00 N ATOM 1222 CA THR A 78 -10.046 7.802 -7.620 1.00 0.00 C ATOM 1223 C THR A 78 -11.090 6.864 -7.024 1.00 0.00 C ATOM 1224 O THR A 78 -10.774 5.750 -6.610 1.00 0.00 O ATOM 1225 CB THR A 78 -9.989 7.586 -9.144 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.878 8.300 -9.699 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.278 8.050 -9.805 1.00 0.00 C ATOM 0 H THR A 78 -8.562 6.634 -6.710 1.00 0.00 H new ATOM 0 HA THR A 78 -10.330 8.835 -7.418 1.00 0.00 H new ATOM 0 HB THR A 78 -9.866 6.520 -9.333 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.848 8.156 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.214 7.888 -10.881 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.118 7.484 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.427 9.111 -9.607 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.337 7.324 -6.985 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.429 6.525 -6.442 1.00 0.00 C ATOM 1237 C ALA A 79 -14.692 6.679 -7.283 1.00 0.00 C ATOM 1238 O ALA A 79 -14.901 7.690 -7.953 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.702 6.917 -4.998 1.00 0.00 C ATOM 0 H ALA A 79 -12.616 8.245 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.130 5.477 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.520 6.313 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.806 6.749 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.976 7.971 -4.953 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.555 5.652 -7.249 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.812 5.650 -8.002 1.00 0.00 C ATOM 1247 C PRO A 80 -17.823 6.646 -7.445 1.00 0.00 C ATOM 1248 O PRO A 80 -18.954 6.729 -7.923 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.324 4.218 -7.833 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.712 3.744 -6.561 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.369 4.415 -6.472 1.00 0.00 C ATOM 0 HA PRO A 80 -16.665 5.945 -9.041 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.412 4.190 -7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.027 3.590 -8.673 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.336 4.005 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.607 2.659 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.093 4.627 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.579 3.792 -6.892 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.408 7.400 -6.432 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.279 8.391 -5.811 1.00 0.00 C ATOM 1261 C GLN A 81 -18.162 9.738 -6.516 1.00 0.00 C ATOM 1262 O GLN A 81 -19.152 10.448 -6.688 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.934 8.546 -4.329 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.837 7.224 -3.585 1.00 0.00 C ATOM 1265 CD GLN A 81 -18.222 7.347 -2.124 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -18.764 8.366 -1.696 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -17.945 6.305 -1.348 1.00 0.00 N ATOM 0 H GLN A 81 -16.475 7.344 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.308 8.042 -5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.985 9.074 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.691 9.167 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.485 6.492 -4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.818 6.845 -3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.495 5.480 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -18.183 6.330 -0.356 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.944 10.084 -6.923 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.720 11.345 -7.604 1.00 0.00 C ATOM 1278 C GLY A 82 -15.644 12.181 -6.939 1.00 0.00 C ATOM 1279 O GLY A 82 -15.731 13.408 -6.913 1.00 0.00 O ATOM 0 H GLY A 82 -16.109 9.513 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.437 11.150 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.651 11.911 -7.630 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.629 11.514 -6.398 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.534 12.204 -5.727 1.00 0.00 C ATOM 1285 C GLN A 83 -12.187 11.632 -6.155 1.00 0.00 C ATOM 1286 O GLN A 83 -12.013 10.415 -6.232 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.689 12.096 -4.209 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.741 13.031 -3.637 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.118 12.398 -3.583 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.528 11.699 -4.510 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.839 12.640 -2.495 1.00 0.00 N ATOM 0 H GLN A 83 -14.543 10.498 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.569 13.255 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.948 11.069 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.730 12.310 -3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.445 13.334 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.785 13.936 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.459 13.225 -1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.773 12.241 -2.403 1.00 0.00 H new ATOM 1300 N THR A 84 -11.235 12.517 -6.434 1.00 0.00 N ATOM 1301 CA THR A 84 -9.903 12.101 -6.856 1.00 0.00 C ATOM 1302 C THR A 84 -8.824 12.929 -6.168 1.00 0.00 C ATOM 1303 O THR A 84 -9.007 14.121 -5.919 1.00 0.00 O ATOM 1304 CB THR A 84 -9.734 12.223 -8.382 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.761 13.601 -8.769 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.832 11.464 -9.111 1.00 0.00 C ATOM 0 H THR A 84 -11.362 13.527 -6.375 1.00 0.00 H new ATOM 0 HA THR A 84 -9.792 11.056 -6.568 1.00 0.00 H new ATOM 0 HB THR A 84 -8.772 11.788 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.651 13.670 -9.740 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.691 11.565 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.789 10.410 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.803 11.872 -8.832 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.700 12.290 -5.862 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.590 12.969 -5.202 1.00 0.00 C ATOM 1316 C PHE A 85 -5.257 12.560 -5.821 1.00 0.00 C ATOM 1317 O PHE A 85 -5.201 11.677 -6.678 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.589 12.652 -3.705 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.955 12.363 -3.153 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.832 13.396 -2.862 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.363 11.059 -2.924 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.090 13.133 -2.353 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.620 10.790 -2.416 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.484 11.828 -2.129 1.00 0.00 C ATOM 0 H PHE A 85 -7.533 11.303 -6.060 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.720 14.043 -5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.943 11.793 -3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.158 13.494 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.529 14.418 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.691 10.243 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.764 13.947 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.926 9.769 -2.244 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.466 11.620 -1.730 1.00 0.00 H new ATOM 1334 N THR A 86 -4.183 13.209 -5.382 1.00 0.00 N ATOM 1335 CA THR A 86 -2.850 12.916 -5.892 1.00 0.00 C ATOM 1336 C THR A 86 -1.951 12.359 -4.795 1.00 0.00 C ATOM 1337 O THR A 86 -1.765 12.987 -3.752 1.00 0.00 O ATOM 1338 CB THR A 86 -2.190 14.171 -6.494 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.065 14.771 -7.455 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.865 13.821 -7.155 1.00 0.00 C ATOM 0 H THR A 86 -4.211 13.942 -4.673 1.00 0.00 H new ATOM 0 HA THR A 86 -2.969 12.167 -6.675 1.00 0.00 H new ATOM 0 HB THR A 86 -1.999 14.878 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.639 15.569 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.417 14.723 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.191 13.391 -6.414 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.036 13.098 -7.952 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.394 11.176 -5.035 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.512 10.535 -4.067 1.00 0.00 C ATOM 1350 C VAL A 87 0.952 10.793 -4.403 1.00 0.00 C ATOM 1351 O VAL A 87 1.362 10.686 -5.558 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.754 9.015 -4.008 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -2.017 8.705 -3.220 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.835 8.434 -5.411 1.00 0.00 C ATOM 0 H VAL A 87 -1.538 10.642 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.740 10.970 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 87 0.088 8.550 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.171 7.626 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.915 9.086 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.872 9.180 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.006 7.359 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.657 8.903 -5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.100 8.623 -5.938 1.00 0.00 H new ATOM 1364 N GLN A 88 1.736 11.133 -3.384 1.00 0.00 N ATOM 1365 CA GLN A 88 3.156 11.407 -3.572 1.00 0.00 C ATOM 1366 C GLN A 88 3.998 10.633 -2.563 1.00 0.00 C ATOM 1367 O GLN A 88 3.690 10.610 -1.371 1.00 0.00 O ATOM 1368 CB GLN A 88 3.430 12.906 -3.439 1.00 0.00 C ATOM 1369 CG GLN A 88 3.018 13.483 -2.094 1.00 0.00 C ATOM 1370 CD GLN A 88 2.681 14.959 -2.171 1.00 0.00 C ATOM 1371 OE1 GLN A 88 2.885 15.601 -3.201 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.161 15.505 -1.078 1.00 0.00 N ATOM 0 H GLN A 88 1.412 11.225 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 88 3.433 11.082 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.494 13.087 -3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.899 13.436 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.154 12.936 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.826 13.335 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.009 14.935 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.914 16.495 -1.070 1.00 0.00 H new ATOM 1381 N ARG A 89 5.060 9.999 -3.049 1.00 0.00 N ATOM 1382 CA ARG A 89 5.945 9.222 -2.189 1.00 0.00 C ATOM 1383 C ARG A 89 7.152 10.051 -1.760 1.00 0.00 C ATOM 1384 O ARG A 89 7.865 10.608 -2.596 1.00 0.00 O ATOM 1385 CB ARG A 89 6.413 7.958 -2.913 1.00 0.00 C ATOM 1386 CG ARG A 89 7.024 6.918 -1.988 1.00 0.00 C ATOM 1387 CD ARG A 89 7.533 5.713 -2.764 1.00 0.00 C ATOM 1388 NE ARG A 89 8.474 4.915 -1.982 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.774 5.178 -1.907 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.284 6.211 -2.562 1.00 0.00 N ATOM 1391 NH2 ARG A 89 10.566 4.406 -1.174 1.00 0.00 N ATOM 0 H ARG A 89 5.329 10.008 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 89 5.386 8.937 -1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.566 7.514 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.146 8.234 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.845 7.365 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.280 6.595 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.689 5.090 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.018 6.050 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 89 8.113 4.113 -1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.678 6.807 -3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.283 6.410 -2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.177 3.610 -0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.564 4.608 -1.117 1.00 0.00 H new ATOM 1405 N LEU A 90 7.374 10.130 -0.453 1.00 0.00 N ATOM 1406 CA LEU A 90 8.494 10.892 0.089 1.00 0.00 C ATOM 1407 C LEU A 90 9.487 9.974 0.793 1.00 0.00 C ATOM 1408 O LEU A 90 9.167 8.831 1.123 1.00 0.00 O ATOM 1409 CB LEU A 90 7.988 11.958 1.063 1.00 0.00 C ATOM 1410 CG LEU A 90 6.582 12.498 0.796 1.00 0.00 C ATOM 1411 CD1 LEU A 90 6.466 13.001 -0.635 1.00 0.00 C ATOM 1412 CD2 LEU A 90 5.538 11.426 1.073 1.00 0.00 C ATOM 0 H LEU A 90 6.793 9.676 0.252 1.00 0.00 H new ATOM 0 HA LEU A 90 9.004 11.380 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.010 11.541 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.686 12.795 1.049 1.00 0.00 H new ATOM 0 HG LEU A 90 6.401 13.336 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.459 13.381 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.189 13.800 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.667 12.182 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.544 11.827 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.717 10.568 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.605 11.114 2.115 1.00 0.00 H new