USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=17 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 66 GLN : amide:sc= -0.539 K(o=-1.2,f=-0.48) USER MOD Set 1.2: A 81 GLN : amide:sc= -0.685 K(o=-1.2,f=-2.1!) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 31 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 38 GLN : amide:sc= 0 K(o=-6.1,f=-3.3) USER MOD Set 3.3: A 64 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-3.3!) USER MOD Single : A 30 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.56) 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+ 171:sc= 0 (180deg=-0.0763) USER MOD Single : A 43 MET CE :methyl -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.79! C(o=-2.8!,f=-5.6!) USER MOD Single : A 46 MET CE :methyl -138:sc= -0.238 (180deg=-1.45!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.102) USER MOD Single : A 57 LYS NZ :NH3+ -135:sc= 0.104 (180deg=-0.0364) USER MOD Single : A 59 THR OG1 : rot 150:sc= 0.0168 USER MOD Single : A 62 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.59) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) 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= -2.86! C(o=-2.9!,f=-5.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0835 USER MOD Single : A 83 GLN : amide:sc= -3.29! C(o=-3.3!,f=-13!) 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= -1.74 X(o=-1.7,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.164 7.766 3.441 1.00 0.00 N ATOM 398 CA GLU A 28 5.979 8.550 3.770 1.00 0.00 C ATOM 399 C GLU A 28 5.097 8.744 2.540 1.00 0.00 C ATOM 400 O GLU A 28 5.578 9.124 1.472 1.00 0.00 O ATOM 401 CB GLU A 28 6.383 9.910 4.341 1.00 0.00 C ATOM 402 CG GLU A 28 5.233 10.667 4.984 1.00 0.00 C ATOM 403 CD GLU A 28 4.932 10.186 6.391 1.00 0.00 C ATOM 404 OE1 GLU A 28 5.857 9.664 7.049 1.00 0.00 O ATOM 405 OE2 GLU A 28 3.774 10.332 6.833 1.00 0.00 O ATOM 0 HA GLU A 28 5.410 8.003 4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.170 9.764 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.806 10.519 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.473 11.730 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.341 10.557 4.368 1.00 0.00 H new ATOM 412 N TRP A 29 3.805 8.481 2.699 1.00 0.00 N ATOM 413 CA TRP A 29 2.855 8.626 1.601 1.00 0.00 C ATOM 414 C TRP A 29 1.763 9.629 1.956 1.00 0.00 C ATOM 415 O TRP A 29 1.026 9.441 2.924 1.00 0.00 O ATOM 416 CB TRP A 29 2.230 7.273 1.258 1.00 0.00 C ATOM 417 CG TRP A 29 3.150 6.371 0.493 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.196 5.651 0.995 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.108 6.094 -0.911 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.807 4.943 -0.012 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.157 5.197 -1.191 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.284 6.515 -1.958 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.403 4.717 -2.474 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.529 6.037 -3.232 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.581 5.146 -3.481 1.00 0.00 C ATOM 0 H TRP A 29 3.391 8.166 3.577 1.00 0.00 H new ATOM 0 HA TRP A 29 3.396 8.999 0.731 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.929 6.776 2.180 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.324 7.437 0.674 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.499 5.640 2.032 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.613 4.328 0.100 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.470 7.201 -1.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.214 4.030 -2.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.899 6.356 -4.049 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.747 4.791 -4.487 1.00 0.00 H new ATOM 436 N GLN A 30 1.665 10.694 1.167 1.00 0.00 N ATOM 437 CA GLN A 30 0.662 11.727 1.400 1.00 0.00 C ATOM 438 C GLN A 30 -0.215 11.922 0.167 1.00 0.00 C ATOM 439 O GLN A 30 0.234 11.732 -0.963 1.00 0.00 O ATOM 440 CB GLN A 30 1.336 13.048 1.774 1.00 0.00 C ATOM 441 CG GLN A 30 2.239 12.946 2.993 1.00 0.00 C ATOM 442 CD GLN A 30 2.568 14.299 3.591 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.696 14.979 4.134 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.831 14.699 3.495 1.00 0.00 N ATOM 0 H GLN A 30 2.267 10.864 0.362 1.00 0.00 H new ATOM 0 HA GLN A 30 0.030 11.403 2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.923 13.400 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.568 13.798 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.754 12.327 3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.164 12.442 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.521 14.104 3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.111 15.601 3.879 1.00 0.00 H new ATOM 453 N TYR A 31 -1.468 12.301 0.393 1.00 0.00 N ATOM 454 CA TYR A 31 -2.409 12.518 -0.699 1.00 0.00 C ATOM 455 C TYR A 31 -2.892 13.965 -0.722 1.00 0.00 C ATOM 456 O TYR A 31 -3.053 14.594 0.324 1.00 0.00 O ATOM 457 CB TYR A 31 -3.604 11.572 -0.567 1.00 0.00 C ATOM 458 CG TYR A 31 -4.453 11.836 0.656 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.009 11.480 1.923 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.699 12.441 0.544 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.782 11.718 3.044 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.477 12.685 1.659 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.014 12.321 2.906 1.00 0.00 C ATOM 464 OH TYR A 31 -6.787 12.561 4.019 1.00 0.00 O ATOM 0 H TYR A 31 -1.855 12.464 1.322 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.892 12.311 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.227 11.660 -1.457 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.241 10.545 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.043 11.009 2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.065 12.725 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.423 11.433 4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.442 13.158 1.555 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.500 13.194 3.792 1.00 0.00 H new ATOM 474 N ILE A 32 -3.121 14.487 -1.923 1.00 0.00 N ATOM 475 CA ILE A 32 -3.587 15.858 -2.083 1.00 0.00 C ATOM 476 C ILE A 32 -5.095 15.904 -2.309 1.00 0.00 C ATOM 477 O ILE A 32 -5.585 15.533 -3.376 1.00 0.00 O ATOM 478 CB ILE A 32 -2.882 16.559 -3.260 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.464 16.972 -2.860 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.684 17.770 -3.713 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.420 15.919 -3.162 1.00 0.00 C ATOM 0 H ILE A 32 -2.991 13.981 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.344 16.383 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.816 15.859 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.202 17.892 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.446 17.194 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.173 18.254 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.676 17.451 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.779 18.474 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.561 16.280 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.658 15.004 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.410 15.713 -4.232 1.00 0.00 H new ATOM 493 N ASP A 33 -5.825 16.363 -1.298 1.00 0.00 N ATOM 494 CA ASP A 33 -7.277 16.461 -1.387 1.00 0.00 C ATOM 495 C ASP A 33 -7.690 17.625 -2.282 1.00 0.00 C ATOM 496 O ASP A 33 -6.869 18.470 -2.639 1.00 0.00 O ATOM 497 CB ASP A 33 -7.884 16.632 0.006 1.00 0.00 C ATOM 498 CG ASP A 33 -9.400 16.587 -0.013 1.00 0.00 C ATOM 499 OD1 ASP A 33 -10.022 17.653 -0.202 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.963 15.486 0.162 1.00 0.00 O ATOM 0 H ASP A 33 -5.435 16.673 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.652 15.537 -1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.508 15.846 0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.557 17.583 0.427 1.00 0.00 H new ATOM 505 N LYS A 34 -8.969 17.664 -2.642 1.00 0.00 N ATOM 506 CA LYS A 34 -9.492 18.724 -3.494 1.00 0.00 C ATOM 507 C LYS A 34 -8.702 20.015 -3.305 1.00 0.00 C ATOM 508 O LYS A 34 -7.927 20.412 -4.174 1.00 0.00 O ATOM 509 CB LYS A 34 -10.971 18.970 -3.188 1.00 0.00 C ATOM 510 CG LYS A 34 -11.841 17.736 -3.358 1.00 0.00 C ATOM 511 CD LYS A 34 -13.319 18.089 -3.339 1.00 0.00 C ATOM 512 CE LYS A 34 -13.811 18.501 -4.718 1.00 0.00 C ATOM 513 NZ LYS A 34 -15.292 18.396 -4.832 1.00 0.00 N ATOM 0 H LYS A 34 -9.662 16.973 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.390 18.405 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.066 19.333 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.342 19.759 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.596 17.244 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.625 17.025 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.894 17.233 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.491 18.901 -2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.503 19.526 -4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.343 17.871 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.588 18.685 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.584 17.413 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.739 19.017 -4.128 1.00 0.00 H new ATOM 527 N ASN A 35 -8.902 20.664 -2.163 1.00 0.00 N ATOM 528 CA ASN A 35 -8.207 21.910 -1.859 1.00 0.00 C ATOM 529 C ASN A 35 -7.405 21.784 -0.568 1.00 0.00 C ATOM 530 O ASN A 35 -7.022 22.786 0.037 1.00 0.00 O ATOM 531 CB ASN A 35 -9.208 23.061 -1.741 1.00 0.00 C ATOM 532 CG ASN A 35 -8.546 24.419 -1.872 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.990 24.947 -0.908 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.602 24.991 -3.069 1.00 0.00 N ATOM 0 H ASN A 35 -9.540 20.348 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.516 22.121 -2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.971 22.956 -2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.717 22.999 -0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.174 25.905 -3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.073 24.517 -3.839 1.00 0.00 H new ATOM 541 N ILE A 36 -7.153 20.548 -0.152 1.00 0.00 N ATOM 542 CA ILE A 36 -6.395 20.291 1.066 1.00 0.00 C ATOM 543 C ILE A 36 -5.309 19.247 0.828 1.00 0.00 C ATOM 544 O ILE A 36 -5.426 18.405 -0.063 1.00 0.00 O ATOM 545 CB ILE A 36 -7.310 19.813 2.209 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.513 20.746 2.353 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.532 19.737 3.514 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.673 20.381 1.453 1.00 0.00 C ATOM 0 H ILE A 36 -7.463 19.708 -0.641 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.931 21.235 1.354 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.676 18.815 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.850 20.733 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.200 21.766 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.192 19.398 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.705 19.035 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.140 20.723 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.490 21.085 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.353 20.422 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.013 19.373 1.689 1.00 0.00 H new ATOM 560 N THR A 37 -4.252 19.307 1.633 1.00 0.00 N ATOM 561 CA THR A 37 -3.145 18.367 1.511 1.00 0.00 C ATOM 562 C THR A 37 -2.938 17.590 2.806 1.00 0.00 C ATOM 563 O THR A 37 -2.301 18.080 3.738 1.00 0.00 O ATOM 564 CB THR A 37 -1.834 19.087 1.142 1.00 0.00 C ATOM 565 OG1 THR A 37 -2.061 19.989 0.053 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.755 18.085 0.761 1.00 0.00 C ATOM 0 H THR A 37 -4.140 19.997 2.376 1.00 0.00 H new ATOM 0 HA THR A 37 -3.407 17.673 0.712 1.00 0.00 H new ATOM 0 HB THR A 37 -1.495 19.648 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.224 20.444 -0.175 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.161 18.617 0.504 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.564 17.418 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.088 17.501 -0.097 1.00 0.00 H new ATOM 574 N GLN A 38 -3.480 16.378 2.857 1.00 0.00 N ATOM 575 CA GLN A 38 -3.354 15.534 4.040 1.00 0.00 C ATOM 576 C GLN A 38 -2.459 14.332 3.758 1.00 0.00 C ATOM 577 O GLN A 38 -1.978 14.153 2.638 1.00 0.00 O ATOM 578 CB GLN A 38 -4.732 15.061 4.504 1.00 0.00 C ATOM 579 CG GLN A 38 -5.624 16.185 5.006 1.00 0.00 C ATOM 580 CD GLN A 38 -6.599 15.724 6.072 1.00 0.00 C ATOM 581 OE1 GLN A 38 -6.341 15.863 7.268 1.00 0.00 O ATOM 582 NE2 GLN A 38 -7.729 15.173 5.643 1.00 0.00 N ATOM 0 H GLN A 38 -4.010 15.958 2.094 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.896 16.127 4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.230 14.555 3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.606 14.326 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.002 16.985 5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.180 16.605 4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.902 15.077 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.424 14.846 6.314 1.00 0.00 H new ATOM 591 N CYS A 39 -2.239 13.512 4.779 1.00 0.00 N ATOM 592 CA CYS A 39 -1.400 12.326 4.641 1.00 0.00 C ATOM 593 C CYS A 39 -2.119 11.088 5.166 1.00 0.00 C ATOM 594 O CYS A 39 -3.064 11.190 5.949 1.00 0.00 O ATOM 595 CB CYS A 39 -0.081 12.520 5.390 1.00 0.00 C ATOM 596 SG CYS A 39 -0.266 12.689 7.181 1.00 0.00 S ATOM 0 H CYS A 39 -2.630 13.646 5.712 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.190 12.180 3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.571 11.672 5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.418 13.408 5.002 1.00 0.00 H new ATOM 0 HG CYS A 39 0.904 12.846 7.725 1.00 0.00 H new ATOM 602 N PHE A 40 -1.667 9.918 4.728 1.00 0.00 N ATOM 603 CA PHE A 40 -2.268 8.658 5.150 1.00 0.00 C ATOM 604 C PHE A 40 -1.762 8.250 6.531 1.00 0.00 C ATOM 605 O PHE A 40 -0.732 8.738 6.995 1.00 0.00 O ATOM 606 CB PHE A 40 -1.961 7.556 4.135 1.00 0.00 C ATOM 607 CG PHE A 40 -2.572 7.796 2.785 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.878 7.414 2.523 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.842 8.405 1.777 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.443 7.634 1.281 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.402 8.627 0.533 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.704 8.242 0.285 1.00 0.00 C ATOM 0 H PHE A 40 -0.886 9.816 4.080 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.347 8.800 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.880 7.466 4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.322 6.604 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.461 6.939 3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.823 8.710 1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.462 7.331 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.821 9.101 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.144 8.416 -0.686 1.00 0.00 H new ATOM 622 N ASP A 41 -2.495 7.353 7.181 1.00 0.00 N ATOM 623 CA ASP A 41 -2.121 6.878 8.508 1.00 0.00 C ATOM 624 C ASP A 41 -0.857 6.025 8.444 1.00 0.00 C ATOM 625 O ASP A 41 -0.318 5.775 7.366 1.00 0.00 O ATOM 626 CB ASP A 41 -3.265 6.072 9.126 1.00 0.00 C ATOM 627 CG ASP A 41 -4.583 6.819 9.094 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.778 7.715 9.942 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.419 6.510 8.220 1.00 0.00 O ATOM 0 H ASP A 41 -3.351 6.940 6.811 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.920 7.747 9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.372 5.129 8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.016 5.825 10.158 1.00 0.00 H new ATOM 634 N LYS A 42 -0.390 5.581 9.606 1.00 0.00 N ATOM 635 CA LYS A 42 0.810 4.756 9.684 1.00 0.00 C ATOM 636 C LYS A 42 0.561 3.377 9.082 1.00 0.00 C ATOM 637 O LYS A 42 1.453 2.785 8.473 1.00 0.00 O ATOM 638 CB LYS A 42 1.263 4.615 11.139 1.00 0.00 C ATOM 639 CG LYS A 42 0.271 3.870 12.016 1.00 0.00 C ATOM 640 CD LYS A 42 0.830 3.628 13.408 1.00 0.00 C ATOM 641 CE LYS A 42 -0.076 2.718 14.222 1.00 0.00 C ATOM 642 NZ LYS A 42 -0.012 1.306 13.751 1.00 0.00 N ATOM 0 H LYS A 42 -0.825 5.779 10.507 1.00 0.00 H new ATOM 0 HA LYS A 42 1.597 5.247 9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.220 4.094 11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.430 5.608 11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.654 4.443 12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.019 2.916 11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.821 3.181 13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.949 4.581 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.212 2.764 15.272 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.103 3.076 14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.520 0.693 14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.452 1.233 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.982 1.004 13.692 1.00 0.00 H new ATOM 656 N MET A 43 -0.655 2.871 9.255 1.00 0.00 N ATOM 657 CA MET A 43 -1.021 1.562 8.726 1.00 0.00 C ATOM 658 C MET A 43 -1.227 1.624 7.216 1.00 0.00 C ATOM 659 O MET A 43 -0.785 0.740 6.481 1.00 0.00 O ATOM 660 CB MET A 43 -2.293 1.051 9.405 1.00 0.00 C ATOM 661 CG MET A 43 -3.517 1.908 9.127 1.00 0.00 C ATOM 662 SD MET A 43 -4.756 1.792 10.431 1.00 0.00 S ATOM 663 CE MET A 43 -4.242 3.129 11.506 1.00 0.00 C ATOM 0 H MET A 43 -1.404 3.347 9.757 1.00 0.00 H new ATOM 0 HA MET A 43 -0.204 0.872 8.936 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.489 0.032 9.070 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.128 1.007 10.481 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.210 2.948 9.014 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.962 1.603 8.180 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.869 3.141 12.397 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.202 2.983 11.796 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.342 4.078 10.979 1.00 0.00 H new ATOM 673 N THR A 44 -1.901 2.675 6.757 1.00 0.00 N ATOM 674 CA THR A 44 -2.167 2.851 5.335 1.00 0.00 C ATOM 675 C THR A 44 -0.907 3.277 4.590 1.00 0.00 C ATOM 676 O THR A 44 -0.690 2.885 3.444 1.00 0.00 O ATOM 677 CB THR A 44 -3.270 3.899 5.096 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.491 3.474 5.713 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.497 4.115 3.607 1.00 0.00 C ATOM 0 H THR A 44 -2.272 3.417 7.350 1.00 0.00 H new ATOM 0 HA THR A 44 -2.503 1.887 4.954 1.00 0.00 H new ATOM 0 HB THR A 44 -2.948 4.841 5.539 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.187 4.146 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.280 4.859 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.574 4.465 3.145 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.800 3.175 3.145 1.00 0.00 H new ATOM 687 N ASN A 45 -0.079 4.083 5.247 1.00 0.00 N ATOM 688 CA ASN A 45 1.160 4.562 4.646 1.00 0.00 C ATOM 689 C ASN A 45 1.887 3.431 3.924 1.00 0.00 C ATOM 690 O ASN A 45 2.346 3.597 2.794 1.00 0.00 O ATOM 691 CB ASN A 45 2.070 5.167 5.716 1.00 0.00 C ATOM 692 CG ASN A 45 3.472 5.429 5.202 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.793 5.117 4.055 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.316 6.005 6.051 1.00 0.00 N ATOM 0 H ASN A 45 -0.244 4.418 6.196 1.00 0.00 H new ATOM 0 HA ASN A 45 0.907 5.332 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.636 6.101 6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.120 4.492 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.273 6.206 5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.007 6.247 6.993 1.00 0.00 H new ATOM 701 N MET A 46 1.987 2.283 4.585 1.00 0.00 N ATOM 702 CA MET A 46 2.657 1.124 4.006 1.00 0.00 C ATOM 703 C MET A 46 1.783 0.466 2.942 1.00 0.00 C ATOM 704 O MET A 46 2.282 -0.018 1.926 1.00 0.00 O ATOM 705 CB MET A 46 3.003 0.110 5.097 1.00 0.00 C ATOM 706 CG MET A 46 1.866 -0.846 5.421 1.00 0.00 C ATOM 707 SD MET A 46 2.235 -1.915 6.825 1.00 0.00 S ATOM 708 CE MET A 46 1.764 -0.854 8.190 1.00 0.00 C ATOM 0 H MET A 46 1.613 2.130 5.522 1.00 0.00 H new ATOM 0 HA MET A 46 3.578 1.466 3.534 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.873 -0.466 4.783 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.286 0.646 6.003 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.964 -0.272 5.634 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.654 -1.461 4.547 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.505 -0.934 8.985 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.710 0.179 7.846 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.790 -1.161 8.570 1.00 0.00 H new ATOM 718 N LYS A 47 0.476 0.452 3.183 1.00 0.00 N ATOM 719 CA LYS A 47 -0.468 -0.145 2.246 1.00 0.00 C ATOM 720 C LYS A 47 -0.242 0.385 0.833 1.00 0.00 C ATOM 721 O LYS A 47 -0.606 -0.263 -0.149 1.00 0.00 O ATOM 722 CB LYS A 47 -1.905 0.143 2.686 1.00 0.00 C ATOM 723 CG LYS A 47 -2.334 -0.642 3.913 1.00 0.00 C ATOM 724 CD LYS A 47 -3.844 -0.632 4.082 1.00 0.00 C ATOM 725 CE LYS A 47 -4.246 -0.898 5.525 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.012 -2.317 5.912 1.00 0.00 N ATOM 0 H LYS A 47 0.047 0.847 4.019 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.304 -1.223 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.006 1.208 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.581 -0.087 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.983 -1.671 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.865 -0.217 4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.240 0.333 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.289 -1.388 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.680 -0.243 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.300 -0.654 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.298 -2.459 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.572 -2.941 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.002 -2.543 5.808 1.00 0.00 H new ATOM 740 N LEU A 48 0.363 1.564 0.738 1.00 0.00 N ATOM 741 CA LEU A 48 0.639 2.180 -0.555 1.00 0.00 C ATOM 742 C LEU A 48 2.059 1.865 -1.015 1.00 0.00 C ATOM 743 O LEU A 48 2.269 1.398 -2.134 1.00 0.00 O ATOM 744 CB LEU A 48 0.441 3.694 -0.473 1.00 0.00 C ATOM 745 CG LEU A 48 -0.976 4.170 -0.152 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.990 5.668 0.108 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.928 3.814 -1.285 1.00 0.00 C ATOM 0 H LEU A 48 0.672 2.112 1.541 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.059 1.768 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.116 4.088 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.743 4.132 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.313 3.662 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.007 5.988 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.341 5.897 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.633 6.194 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.932 4.160 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.594 4.293 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.941 2.733 -1.423 1.00 0.00 H new ATOM 759 N GLU A 49 3.029 2.123 -0.144 1.00 0.00 N ATOM 760 CA GLU A 49 4.429 1.865 -0.461 1.00 0.00 C ATOM 761 C GLU A 49 4.626 0.423 -0.918 1.00 0.00 C ATOM 762 O GLU A 49 5.435 0.145 -1.803 1.00 0.00 O ATOM 763 CB GLU A 49 5.312 2.153 0.754 1.00 0.00 C ATOM 764 CG GLU A 49 5.398 0.993 1.732 1.00 0.00 C ATOM 765 CD GLU A 49 6.539 0.046 1.416 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.468 0.459 0.691 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.503 -1.108 1.892 1.00 0.00 O ATOM 0 H GLU A 49 2.872 2.510 0.786 1.00 0.00 H new ATOM 0 HA GLU A 49 4.719 2.529 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.316 2.404 0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.925 3.029 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.524 1.383 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.458 0.441 1.718 1.00 0.00 H new ATOM 774 N VAL A 50 3.882 -0.493 -0.306 1.00 0.00 N ATOM 775 CA VAL A 50 3.974 -1.907 -0.649 1.00 0.00 C ATOM 776 C VAL A 50 3.651 -2.138 -2.120 1.00 0.00 C ATOM 777 O VAL A 50 4.391 -2.818 -2.830 1.00 0.00 O ATOM 778 CB VAL A 50 3.022 -2.757 0.214 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.456 -2.731 1.672 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.590 -2.267 0.067 1.00 0.00 C ATOM 0 H VAL A 50 3.209 -0.281 0.430 1.00 0.00 H new ATOM 0 HA VAL A 50 5.002 -2.214 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 50 3.067 -3.789 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.772 -3.337 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.465 -3.133 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.442 -1.704 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.931 -2.879 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.526 -1.228 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.285 -2.343 -0.977 1.00 0.00 H new ATOM 790 N ALA A 51 2.540 -1.567 -2.573 1.00 0.00 N ATOM 791 CA ALA A 51 2.119 -1.708 -3.962 1.00 0.00 C ATOM 792 C ALA A 51 3.142 -1.093 -4.910 1.00 0.00 C ATOM 793 O ALA A 51 3.332 -1.571 -6.028 1.00 0.00 O ATOM 794 CB ALA A 51 0.754 -1.068 -4.167 1.00 0.00 C ATOM 0 H ALA A 51 1.915 -1.002 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 51 2.047 -2.772 -4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.452 -1.181 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.023 -1.556 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.808 -0.008 -3.917 1.00 0.00 H new ATOM 800 N TRP A 52 3.797 -0.030 -4.458 1.00 0.00 N ATOM 801 CA TRP A 52 4.800 0.652 -5.268 1.00 0.00 C ATOM 802 C TRP A 52 6.044 -0.215 -5.437 1.00 0.00 C ATOM 803 O TRP A 52 6.661 -0.232 -6.502 1.00 0.00 O ATOM 804 CB TRP A 52 5.179 1.989 -4.629 1.00 0.00 C ATOM 805 CG TRP A 52 6.082 2.822 -5.487 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.749 3.961 -6.164 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.466 2.581 -5.762 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.843 4.442 -6.842 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.909 3.614 -6.611 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.376 1.594 -5.371 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.220 3.685 -7.076 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.676 1.666 -5.833 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.088 2.706 -6.677 1.00 0.00 C ATOM 0 H TRP A 52 3.652 0.379 -3.535 1.00 0.00 H new ATOM 0 HA TRP A 52 4.371 0.837 -6.253 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.270 2.552 -4.416 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.669 1.801 -3.674 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.770 4.416 -6.166 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.859 5.280 -7.423 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.068 0.790 -4.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.540 4.484 -7.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.387 0.908 -5.539 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.112 2.735 -7.019 1.00 0.00 H new ATOM 824 N LYS A 53 6.406 -0.934 -4.380 1.00 0.00 N ATOM 825 CA LYS A 53 7.575 -1.805 -4.411 1.00 0.00 C ATOM 826 C LYS A 53 7.257 -3.117 -5.121 1.00 0.00 C ATOM 827 O LYS A 53 8.129 -3.725 -5.741 1.00 0.00 O ATOM 828 CB LYS A 53 8.065 -2.087 -2.989 1.00 0.00 C ATOM 829 CG LYS A 53 8.425 -0.834 -2.210 1.00 0.00 C ATOM 830 CD LYS A 53 9.834 -0.365 -2.530 1.00 0.00 C ATOM 831 CE LYS A 53 10.879 -1.330 -1.992 1.00 0.00 C ATOM 832 NZ LYS A 53 12.221 -0.693 -1.887 1.00 0.00 N ATOM 0 H LYS A 53 5.906 -0.931 -3.491 1.00 0.00 H new ATOM 0 HA LYS A 53 8.363 -1.294 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.291 -2.631 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.938 -2.738 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.714 -0.042 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.340 -1.032 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.949 -0.267 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.996 0.624 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.570 -1.690 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.940 -2.200 -2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.905 -1.383 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.528 -0.372 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.169 0.122 -1.243 1.00 0.00 H new ATOM 846 N ALA A 54 6.003 -3.547 -5.026 1.00 0.00 N ATOM 847 CA ALA A 54 5.570 -4.785 -5.662 1.00 0.00 C ATOM 848 C ALA A 54 5.258 -4.564 -7.138 1.00 0.00 C ATOM 849 O ALA A 54 4.585 -5.379 -7.770 1.00 0.00 O ATOM 850 CB ALA A 54 4.355 -5.351 -4.942 1.00 0.00 C ATOM 0 H ALA A 54 5.269 -3.056 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 54 6.386 -5.504 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.042 -6.275 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.611 -5.556 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.540 -4.628 -4.980 1.00 0.00 H new ATOM 856 N LYS A 55 5.751 -3.457 -7.683 1.00 0.00 N ATOM 857 CA LYS A 55 5.526 -3.128 -9.085 1.00 0.00 C ATOM 858 C LYS A 55 4.055 -3.294 -9.454 1.00 0.00 C ATOM 859 O LYS A 55 3.726 -3.739 -10.553 1.00 0.00 O ATOM 860 CB LYS A 55 6.391 -4.016 -9.984 1.00 0.00 C ATOM 861 CG LYS A 55 7.867 -3.662 -9.948 1.00 0.00 C ATOM 862 CD LYS A 55 8.550 -3.982 -11.267 1.00 0.00 C ATOM 863 CE LYS A 55 10.031 -3.640 -11.226 1.00 0.00 C ATOM 864 NZ LYS A 55 10.713 -3.972 -12.507 1.00 0.00 N ATOM 0 H LYS A 55 6.310 -2.772 -7.174 1.00 0.00 H new ATOM 0 HA LYS A 55 5.805 -2.085 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.268 -5.056 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.032 -3.939 -11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.982 -2.601 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.354 -4.211 -9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.426 -5.041 -11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.069 -3.425 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.153 -2.578 -11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.507 -4.184 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.721 -3.724 -12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.619 -4.990 -12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.276 -3.434 -13.282 1.00 0.00 H new ATOM 878 N LYS A 56 3.174 -2.932 -8.528 1.00 0.00 N ATOM 879 CA LYS A 56 1.737 -3.037 -8.755 1.00 0.00 C ATOM 880 C LYS A 56 1.237 -1.883 -9.618 1.00 0.00 C ATOM 881 O LYS A 56 1.914 -0.865 -9.766 1.00 0.00 O ATOM 882 CB LYS A 56 0.989 -3.053 -7.421 1.00 0.00 C ATOM 883 CG LYS A 56 1.288 -4.275 -6.570 1.00 0.00 C ATOM 884 CD LYS A 56 0.324 -5.411 -6.869 1.00 0.00 C ATOM 885 CE LYS A 56 0.182 -6.349 -5.679 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.622 -5.738 -4.585 1.00 0.00 N ATOM 0 H LYS A 56 3.430 -2.563 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 56 1.545 -3.971 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.248 -2.156 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.083 -3.009 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.310 -4.606 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.223 -4.010 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.652 -5.002 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.677 -5.971 -7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.290 -7.277 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.171 -6.609 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.926 -6.479 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.044 -5.037 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.459 -5.271 -4.989 1.00 0.00 H new ATOM 900 N LYS A 57 0.046 -2.046 -10.184 1.00 0.00 N ATOM 901 CA LYS A 57 -0.547 -1.017 -11.029 1.00 0.00 C ATOM 902 C LYS A 57 -1.331 -0.011 -10.193 1.00 0.00 C ATOM 903 O LYS A 57 -1.333 1.185 -10.484 1.00 0.00 O ATOM 904 CB LYS A 57 -1.467 -1.654 -12.074 1.00 0.00 C ATOM 905 CG LYS A 57 -1.648 -0.807 -13.322 1.00 0.00 C ATOM 906 CD LYS A 57 -2.759 0.215 -13.146 1.00 0.00 C ATOM 907 CE LYS A 57 -2.727 1.267 -14.244 1.00 0.00 C ATOM 908 NZ LYS A 57 -4.019 1.999 -14.348 1.00 0.00 N ATOM 0 H LYS A 57 -0.528 -2.882 -10.072 1.00 0.00 H new ATOM 0 HA LYS A 57 0.261 -0.490 -11.537 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.061 -2.625 -12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.443 -1.836 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.714 -0.295 -13.554 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.877 -1.452 -14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.725 -0.291 -13.153 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.660 0.699 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.923 1.976 -14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.502 0.790 -15.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.292 2.080 -15.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.755 1.479 -13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.913 2.950 -13.940 1.00 0.00 H new ATOM 922 N ASP A 58 -1.994 -0.503 -9.152 1.00 0.00 N ATOM 923 CA ASP A 58 -2.780 0.354 -8.271 1.00 0.00 C ATOM 924 C ASP A 58 -3.114 -0.366 -6.969 1.00 0.00 C ATOM 925 O ASP A 58 -3.206 -1.593 -6.930 1.00 0.00 O ATOM 926 CB ASP A 58 -4.067 0.795 -8.969 1.00 0.00 C ATOM 927 CG ASP A 58 -4.841 -0.372 -9.549 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.619 -1.514 -9.095 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.668 -0.145 -10.457 1.00 0.00 O ATOM 0 H ASP A 58 -2.003 -1.491 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.184 1.235 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.698 1.328 -8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.822 1.497 -9.766 1.00 0.00 H new ATOM 934 N THR A 59 -3.293 0.406 -5.901 1.00 0.00 N ATOM 935 CA THR A 59 -3.614 -0.157 -4.596 1.00 0.00 C ATOM 936 C THR A 59 -4.844 0.514 -3.995 1.00 0.00 C ATOM 937 O THR A 59 -4.916 1.740 -3.910 1.00 0.00 O ATOM 938 CB THR A 59 -2.435 -0.014 -3.616 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.776 -0.590 -2.351 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.062 1.449 -3.429 1.00 0.00 C ATOM 0 H THR A 59 -3.221 1.423 -5.915 1.00 0.00 H new ATOM 0 HA THR A 59 -3.820 -1.216 -4.752 1.00 0.00 H new ATOM 0 HB THR A 59 -1.578 -0.541 -4.035 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.966 -0.934 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.227 1.525 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.774 1.877 -4.389 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.918 1.995 -3.031 1.00 0.00 H new ATOM 948 N VAL A 60 -5.811 -0.298 -3.577 1.00 0.00 N ATOM 949 CA VAL A 60 -7.038 0.218 -2.982 1.00 0.00 C ATOM 950 C VAL A 60 -6.854 0.490 -1.493 1.00 0.00 C ATOM 951 O VAL A 60 -6.306 -0.337 -0.763 1.00 0.00 O ATOM 952 CB VAL A 60 -8.210 -0.763 -3.172 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.310 -0.484 -2.160 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.747 -0.680 -4.593 1.00 0.00 C ATOM 0 H VAL A 60 -5.768 -1.315 -3.640 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.269 1.152 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.845 -1.776 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.129 -1.187 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.914 -0.598 -1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.677 0.534 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.575 -1.379 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.097 0.333 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.954 -0.934 -5.297 1.00 0.00 H new ATOM 964 N VAL A 61 -7.316 1.654 -1.048 1.00 0.00 N ATOM 965 CA VAL A 61 -7.204 2.035 0.355 1.00 0.00 C ATOM 966 C VAL A 61 -8.468 2.740 0.835 1.00 0.00 C ATOM 967 O VAL A 61 -9.176 3.369 0.049 1.00 0.00 O ATOM 968 CB VAL A 61 -5.993 2.957 0.592 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.703 2.255 0.198 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.158 4.259 -0.177 1.00 0.00 C ATOM 0 H VAL A 61 -7.771 2.350 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.066 1.115 0.923 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.939 3.193 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.858 2.921 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.583 1.352 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.742 1.987 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.294 4.899 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.237 4.045 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.062 4.768 0.159 1.00 0.00 H new ATOM 980 N GLN A 62 -8.743 2.630 2.131 1.00 0.00 N ATOM 981 CA GLN A 62 -9.923 3.258 2.716 1.00 0.00 C ATOM 982 C GLN A 62 -9.666 4.733 3.008 1.00 0.00 C ATOM 983 O GLN A 62 -8.963 5.074 3.959 1.00 0.00 O ATOM 984 CB GLN A 62 -10.327 2.534 4.002 1.00 0.00 C ATOM 985 CG GLN A 62 -10.938 1.163 3.761 1.00 0.00 C ATOM 986 CD GLN A 62 -9.894 0.072 3.637 1.00 0.00 C ATOM 987 OE1 GLN A 62 -8.948 0.010 4.423 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.059 -0.797 2.647 1.00 0.00 N ATOM 0 H GLN A 62 -8.166 2.113 2.795 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.738 3.186 1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.449 2.425 4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.042 3.151 4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.614 0.922 4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.538 1.192 2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.858 -0.709 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.387 -1.553 2.515 1.00 0.00 H new ATOM 997 N ILE A 63 -10.240 5.602 2.184 1.00 0.00 N ATOM 998 CA ILE A 63 -10.074 7.040 2.355 1.00 0.00 C ATOM 999 C ILE A 63 -11.413 7.721 2.621 1.00 0.00 C ATOM 1000 O ILE A 63 -12.316 7.687 1.784 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.421 7.683 1.116 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.031 7.090 0.881 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.338 9.192 1.285 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.373 7.580 -0.390 1.00 0.00 C ATOM 0 H ILE A 63 -10.824 5.336 1.391 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.420 7.182 3.215 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.039 7.469 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.392 7.335 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.110 6.003 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.875 9.632 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.341 9.600 1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.739 9.427 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.391 7.119 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.991 7.311 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.262 8.664 -0.348 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.533 8.340 3.791 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.761 9.032 4.166 1.00 0.00 C ATOM 1018 C HIS A 64 -13.906 8.041 4.358 1.00 0.00 C ATOM 1019 O HIS A 64 -15.041 8.306 3.965 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.137 10.063 3.102 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.047 11.047 2.810 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.268 12.246 2.166 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.721 11.006 3.080 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.125 12.899 2.051 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.171 12.168 2.599 1.00 0.00 N ATOM 0 H HIS A 64 -10.796 8.377 4.495 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.585 9.545 5.111 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.402 9.543 2.181 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.025 10.604 3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.194 10.207 3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.993 13.866 1.588 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.186 12.425 2.656 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.598 6.899 4.965 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.601 5.869 5.208 1.00 0.00 C ATOM 1036 C ASN A 65 -15.143 5.316 3.893 1.00 0.00 C ATOM 1037 O ASN A 65 -16.268 4.822 3.834 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.748 6.432 6.049 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.481 6.323 7.538 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -15.624 5.252 8.129 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -15.092 7.434 8.152 1.00 0.00 N ATOM 0 H ASN A 65 -12.663 6.664 5.297 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.124 5.055 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.908 7.478 5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.668 5.899 5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.898 7.422 9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.987 8.299 7.622 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.333 5.404 2.843 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.732 4.913 1.529 1.00 0.00 C ATOM 1050 C GLN A 66 -13.528 4.379 0.759 1.00 0.00 C ATOM 1051 O GLN A 66 -12.502 5.050 0.649 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.410 6.026 0.729 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.755 7.387 0.903 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.652 8.527 0.465 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -15.233 9.409 -0.286 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -16.895 8.517 0.933 1.00 0.00 N ATOM 0 H GLN A 66 -13.398 5.810 2.876 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.440 4.097 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.400 5.760 -0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.455 6.094 1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.484 7.524 1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.829 7.417 0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -17.201 7.767 1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -17.544 9.259 0.672 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.661 3.168 0.229 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.585 2.544 -0.531 1.00 0.00 C ATOM 1067 C ASP A 67 -12.249 3.365 -1.772 1.00 0.00 C ATOM 1068 O ASP A 67 -13.139 3.777 -2.517 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.976 1.122 -0.936 1.00 0.00 C ATOM 1070 CG ASP A 67 -12.727 0.116 0.170 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -12.975 0.454 1.347 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -12.284 -1.010 -0.140 1.00 0.00 O ATOM 0 H ASP A 67 -14.504 2.599 0.312 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.701 2.502 0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.031 1.102 -1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.411 0.831 -1.822 1.00 0.00 H new ATOM 1077 N PHE A 68 -10.959 3.601 -1.988 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.505 4.375 -3.137 1.00 0.00 C ATOM 1079 C PHE A 68 -9.417 3.627 -3.901 1.00 0.00 C ATOM 1080 O PHE A 68 -8.684 2.819 -3.330 1.00 0.00 O ATOM 1081 CB PHE A 68 -9.981 5.740 -2.685 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.025 6.820 -2.706 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.251 6.628 -2.090 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.779 8.027 -3.341 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.213 7.620 -2.108 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.738 9.023 -3.362 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.956 8.819 -2.744 1.00 0.00 C ATOM 0 H PHE A 68 -10.210 3.267 -1.382 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.355 4.523 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.582 5.651 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.153 6.034 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.457 5.693 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.828 8.192 -3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.165 7.458 -1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.535 9.959 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.706 9.596 -2.758 1.00 0.00 H new ATOM 1097 N THR A 69 -9.317 3.902 -5.199 1.00 0.00 N ATOM 1098 CA THR A 69 -8.320 3.255 -6.042 1.00 0.00 C ATOM 1099 C THR A 69 -7.134 4.178 -6.297 1.00 0.00 C ATOM 1100 O THR A 69 -7.235 5.141 -7.057 1.00 0.00 O ATOM 1101 CB THR A 69 -8.922 2.826 -7.394 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.074 2.004 -7.178 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.899 2.065 -8.224 1.00 0.00 C ATOM 0 H THR A 69 -9.915 4.568 -5.688 1.00 0.00 H new ATOM 0 HA THR A 69 -7.979 2.369 -5.506 1.00 0.00 H new ATOM 0 HB THR A 69 -9.214 3.724 -7.939 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.452 1.737 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.346 1.772 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.035 2.703 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.582 1.174 -7.683 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.008 3.877 -5.658 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.800 4.678 -5.817 1.00 0.00 C ATOM 1113 C VAL A 70 -3.892 4.095 -6.894 1.00 0.00 C ATOM 1114 O VAL A 70 -3.336 3.009 -6.731 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.014 4.777 -4.497 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.661 5.431 -4.729 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.815 5.546 -3.457 1.00 0.00 C ATOM 0 H VAL A 70 -5.907 3.084 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.120 5.676 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.844 3.769 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.120 5.492 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.086 4.836 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.806 6.434 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.245 5.606 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.018 6.552 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.757 5.031 -3.270 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.745 4.825 -7.995 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.903 4.381 -9.099 1.00 0.00 C ATOM 1129 C ASP A 71 -1.467 4.862 -8.914 1.00 0.00 C ATOM 1130 O ASP A 71 -1.209 6.063 -8.827 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.457 4.894 -10.429 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.109 3.984 -11.591 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.044 2.754 -11.383 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.902 4.501 -12.708 1.00 0.00 O ATOM 0 H ASP A 71 -4.198 5.726 -8.146 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.905 3.291 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.541 4.987 -10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.064 5.892 -10.622 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.536 3.916 -8.853 1.00 0.00 N ATOM 1140 CA LEU A 72 0.875 4.242 -8.677 1.00 0.00 C ATOM 1141 C LEU A 72 1.464 4.823 -9.959 1.00 0.00 C ATOM 1142 O LEU A 72 2.266 5.756 -9.918 1.00 0.00 O ATOM 1143 CB LEU A 72 1.659 2.996 -8.261 1.00 0.00 C ATOM 1144 CG LEU A 72 1.189 2.305 -6.981 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.571 0.832 -6.999 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.775 2.994 -5.757 1.00 0.00 C ATOM 0 H LEU A 72 -0.733 2.918 -8.923 1.00 0.00 H new ATOM 0 HA LEU A 72 0.953 4.992 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.615 2.274 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.706 3.274 -8.137 1.00 0.00 H new ATOM 0 HG LEU A 72 0.103 2.378 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.229 0.356 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.104 0.345 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.654 0.738 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.430 2.489 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.863 2.952 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.452 4.035 -5.736 1.00 0.00 H new ATOM 1158 N SER A 73 1.059 4.266 -11.096 1.00 0.00 N ATOM 1159 CA SER A 73 1.548 4.727 -12.390 1.00 0.00 C ATOM 1160 C SER A 73 1.534 6.251 -12.464 1.00 0.00 C ATOM 1161 O SER A 73 2.551 6.880 -12.761 1.00 0.00 O ATOM 1162 CB SER A 73 0.696 4.143 -13.518 1.00 0.00 C ATOM 1163 OG SER A 73 1.422 4.097 -14.734 1.00 0.00 O ATOM 0 H SER A 73 0.393 3.495 -11.147 1.00 0.00 H new ATOM 0 HA SER A 73 2.576 4.384 -12.506 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.369 3.139 -13.248 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.202 4.747 -13.650 1.00 0.00 H new ATOM 0 HG SER A 73 0.856 3.718 -15.439 1.00 0.00 H new ATOM 1169 N THR A 74 0.375 6.840 -12.190 1.00 0.00 N ATOM 1170 CA THR A 74 0.226 8.290 -12.227 1.00 0.00 C ATOM 1171 C THR A 74 0.272 8.882 -10.823 1.00 0.00 C ATOM 1172 O THR A 74 0.522 10.074 -10.650 1.00 0.00 O ATOM 1173 CB THR A 74 -1.094 8.703 -12.903 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.177 10.130 -12.987 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.289 8.165 -12.130 1.00 0.00 C ATOM 0 H THR A 74 -0.475 6.335 -11.940 1.00 0.00 H new ATOM 0 HA THR A 74 1.060 8.679 -12.811 1.00 0.00 H new ATOM 0 HB THR A 74 -1.110 8.279 -13.907 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.019 10.384 -13.420 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.210 8.469 -12.626 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.239 7.077 -12.094 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.275 8.563 -11.115 1.00 0.00 H new ATOM 1183 N ASN A 75 0.030 8.042 -9.822 1.00 0.00 N ATOM 1184 CA ASN A 75 0.044 8.483 -8.433 1.00 0.00 C ATOM 1185 C ASN A 75 -1.168 9.359 -8.128 1.00 0.00 C ATOM 1186 O ASN A 75 -1.031 10.479 -7.635 1.00 0.00 O ATOM 1187 CB ASN A 75 1.332 9.253 -8.133 1.00 0.00 C ATOM 1188 CG ASN A 75 2.535 8.666 -8.845 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.725 8.876 -10.043 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.355 7.925 -8.109 1.00 0.00 N ATOM 0 H ASN A 75 -0.178 7.051 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 75 0.001 7.599 -7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.208 10.294 -8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.512 9.250 -7.058 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.181 7.504 -8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.159 7.777 -7.119 1.00 0.00 H new ATOM 1197 N THR A 76 -2.356 8.840 -8.424 1.00 0.00 N ATOM 1198 CA THR A 76 -3.592 9.574 -8.183 1.00 0.00 C ATOM 1199 C THR A 76 -4.699 8.642 -7.705 1.00 0.00 C ATOM 1200 O THR A 76 -4.872 7.545 -8.234 1.00 0.00 O ATOM 1201 CB THR A 76 -4.066 10.309 -9.451 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.078 11.260 -9.864 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.388 11.018 -9.203 1.00 0.00 C ATOM 0 H THR A 76 -2.488 7.914 -8.831 1.00 0.00 H new ATOM 0 HA THR A 76 -3.378 10.308 -7.406 1.00 0.00 H new ATOM 0 HB THR A 76 -4.211 9.571 -10.240 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.386 11.722 -10.672 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.703 11.530 -10.112 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.145 10.287 -8.918 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.266 11.746 -8.401 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.449 9.088 -6.702 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.543 8.295 -6.155 1.00 0.00 C ATOM 1213 C ALA A 77 -7.864 8.639 -6.834 1.00 0.00 C ATOM 1214 O ALA A 77 -8.081 9.777 -7.252 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.648 8.507 -4.652 1.00 0.00 C ATOM 0 H ALA A 77 -5.319 9.994 -6.252 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.329 7.244 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.469 7.909 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.716 8.203 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.835 9.561 -4.445 1.00 0.00 H new ATOM 1221 N THR A 78 -8.745 7.649 -6.941 1.00 0.00 N ATOM 1222 CA THR A 78 -10.044 7.847 -7.571 1.00 0.00 C ATOM 1223 C THR A 78 -11.093 6.917 -6.971 1.00 0.00 C ATOM 1224 O THR A 78 -10.791 5.784 -6.599 1.00 0.00 O ATOM 1225 CB THR A 78 -9.973 7.610 -9.091 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.878 8.344 -9.650 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.270 8.032 -9.765 1.00 0.00 C ATOM 0 H THR A 78 -8.582 6.702 -6.599 1.00 0.00 H new ATOM 0 HA THR A 78 -10.331 8.882 -7.386 1.00 0.00 H new ATOM 0 HB THR A 78 -9.822 6.545 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.838 8.187 -10.617 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.197 7.855 -10.838 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.098 7.451 -9.357 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.446 9.092 -9.583 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.327 7.404 -6.882 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.421 6.614 -6.331 1.00 0.00 C ATOM 1237 C ALA A 79 -14.680 6.753 -7.180 1.00 0.00 C ATOM 1238 O ALA A 79 -14.891 7.756 -7.861 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.702 7.033 -4.895 1.00 0.00 C ATOM 0 H ALA A 79 -12.593 8.341 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.121 5.566 -6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.521 6.435 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.809 6.877 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.977 8.088 -4.871 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.537 5.722 -7.141 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.790 5.705 -7.902 1.00 0.00 C ATOM 1247 C PRO A 80 -17.810 6.700 -7.361 1.00 0.00 C ATOM 1248 O PRO A 80 -18.941 6.765 -7.841 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.295 4.271 -7.722 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.687 3.813 -6.441 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.349 4.493 -6.351 1.00 0.00 C ATOM 0 HA PRO A 80 -16.638 5.991 -8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.384 4.237 -7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.990 3.636 -8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.318 4.079 -5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.575 2.729 -6.428 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.080 4.716 -5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.553 3.870 -6.760 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.402 7.474 -6.360 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.282 8.466 -5.754 1.00 0.00 C ATOM 1261 C GLN A 81 -18.168 9.806 -6.472 1.00 0.00 C ATOM 1262 O GLN A 81 -19.159 10.512 -6.652 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.947 8.638 -4.271 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.815 7.323 -3.520 1.00 0.00 C ATOM 1265 CD GLN A 81 -18.205 7.443 -2.060 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -18.913 8.372 -1.669 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -17.746 6.501 -1.245 1.00 0.00 N ATOM 0 H GLN A 81 -16.468 7.433 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.308 8.110 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.014 9.194 -4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.724 9.240 -3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.442 6.571 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.786 6.971 -3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.162 5.749 -1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.977 6.529 -0.252 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.951 10.151 -6.882 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.729 11.406 -7.576 1.00 0.00 C ATOM 1278 C GLY A 82 -15.653 12.248 -6.921 1.00 0.00 C ATOM 1279 O GLY A 82 -15.740 13.476 -6.907 1.00 0.00 O ATOM 0 H GLY A 82 -16.115 9.583 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.447 11.202 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.661 11.971 -7.605 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.636 11.588 -6.375 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.540 12.285 -5.713 1.00 0.00 C ATOM 1285 C GLN A 83 -12.194 11.707 -6.134 1.00 0.00 C ATOM 1286 O GLN A 83 -12.009 10.489 -6.160 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.695 12.195 -4.194 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.744 13.141 -3.632 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.122 12.511 -3.566 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.686 12.117 -4.587 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.672 12.413 -2.362 1.00 0.00 N ATOM 0 H GLN A 83 -14.549 10.572 -6.378 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.574 13.332 -6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.958 11.172 -3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.735 12.411 -3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.445 13.457 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.788 14.038 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.169 12.753 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.598 11.998 -2.256 1.00 0.00 H new ATOM 1300 N THR A 84 -11.254 12.587 -6.465 1.00 0.00 N ATOM 1301 CA THR A 84 -9.925 12.164 -6.887 1.00 0.00 C ATOM 1302 C THR A 84 -8.841 12.971 -6.180 1.00 0.00 C ATOM 1303 O THR A 84 -9.008 14.163 -5.924 1.00 0.00 O ATOM 1304 CB THR A 84 -9.746 12.310 -8.410 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.748 13.695 -8.773 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.853 11.583 -9.157 1.00 0.00 C ATOM 0 H THR A 84 -11.389 13.598 -6.449 1.00 0.00 H new ATOM 0 HA THR A 84 -9.827 11.113 -6.616 1.00 0.00 H new ATOM 0 HB THR A 84 -8.790 11.864 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.632 13.779 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.705 11.700 -10.231 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.830 10.524 -8.901 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.819 12.003 -8.876 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.730 12.312 -5.866 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.619 12.968 -5.187 1.00 0.00 C ATOM 1316 C PHE A 85 -5.286 12.570 -5.816 1.00 0.00 C ATOM 1317 O PHE A 85 -5.236 11.724 -6.710 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.620 12.612 -3.699 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.988 12.315 -3.155 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.918 13.329 -2.992 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.344 11.022 -2.806 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.178 13.060 -2.492 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.602 10.747 -2.306 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.520 11.767 -2.147 1.00 0.00 C ATOM 0 H PHE A 85 -7.576 11.325 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.745 14.045 -5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.979 11.745 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.185 13.438 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.655 14.342 -3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.630 10.221 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.894 13.859 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.868 9.735 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.503 11.554 -1.754 1.00 0.00 H new ATOM 1334 N THR A 86 -4.208 13.186 -5.343 1.00 0.00 N ATOM 1335 CA THR A 86 -2.875 12.898 -5.858 1.00 0.00 C ATOM 1336 C THR A 86 -1.965 12.360 -4.760 1.00 0.00 C ATOM 1337 O THR A 86 -1.785 12.996 -3.722 1.00 0.00 O ATOM 1338 CB THR A 86 -2.229 14.153 -6.475 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.034 14.638 -7.555 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.827 13.847 -6.980 1.00 0.00 C ATOM 0 H THR A 86 -4.232 13.888 -4.604 1.00 0.00 H new ATOM 0 HA THR A 86 -2.992 12.140 -6.632 1.00 0.00 H new ATOM 0 HB THR A 86 -2.161 14.917 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.617 15.437 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.391 14.748 -7.411 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.208 13.506 -6.150 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.876 13.068 -7.741 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.393 11.183 -4.996 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.500 10.560 -4.027 1.00 0.00 C ATOM 1350 C VAL A 87 0.960 10.840 -4.366 1.00 0.00 C ATOM 1351 O VAL A 87 1.357 10.791 -5.530 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.718 9.036 -3.962 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.955 8.708 -3.141 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.828 8.454 -5.363 1.00 0.00 C ATOM 0 H VAL A 87 -1.532 10.642 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.734 10.995 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 87 0.144 8.584 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.093 7.627 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.831 9.091 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.829 9.171 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.982 7.377 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.671 8.910 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.090 8.657 -5.914 1.00 0.00 H new ATOM 1364 N GLN A 88 1.754 11.132 -3.341 1.00 0.00 N ATOM 1365 CA GLN A 88 3.171 11.419 -3.531 1.00 0.00 C ATOM 1366 C GLN A 88 4.030 10.560 -2.610 1.00 0.00 C ATOM 1367 O GLN A 88 3.631 10.247 -1.488 1.00 0.00 O ATOM 1368 CB GLN A 88 3.451 12.901 -3.274 1.00 0.00 C ATOM 1369 CG GLN A 88 2.832 13.423 -1.988 1.00 0.00 C ATOM 1370 CD GLN A 88 2.625 14.924 -2.007 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.033 15.607 -2.947 1.00 0.00 O ATOM 1372 NE2 GLN A 88 1.988 15.448 -0.965 1.00 0.00 N ATOM 0 H GLN A 88 1.441 11.176 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 88 3.429 11.181 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.529 13.058 -3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.072 13.485 -4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.874 12.930 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.474 13.159 -1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.667 14.845 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.820 16.453 -0.923 1.00 0.00 H new ATOM 1381 N ARG A 89 5.209 10.181 -3.091 1.00 0.00 N ATOM 1382 CA ARG A 89 6.123 9.356 -2.310 1.00 0.00 C ATOM 1383 C ARG A 89 7.311 10.177 -1.817 1.00 0.00 C ATOM 1384 O ARG A 89 7.934 10.911 -2.585 1.00 0.00 O ATOM 1385 CB ARG A 89 6.619 8.175 -3.147 1.00 0.00 C ATOM 1386 CG ARG A 89 7.133 7.012 -2.315 1.00 0.00 C ATOM 1387 CD ARG A 89 7.354 5.772 -3.166 1.00 0.00 C ATOM 1388 NE ARG A 89 8.003 4.700 -2.415 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.313 4.640 -2.203 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.109 5.586 -2.682 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.829 3.633 -1.510 1.00 0.00 N ATOM 0 H ARG A 89 5.554 10.432 -4.018 1.00 0.00 H new ATOM 0 HA ARG A 89 5.580 8.977 -1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.806 7.824 -3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.415 8.518 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.068 7.294 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.420 6.788 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.396 5.419 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.965 6.030 -4.031 1.00 0.00 H new ATOM 0 HE ARG A 89 7.418 3.957 -2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.716 6.362 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.115 5.538 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.220 2.904 -1.139 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.835 3.588 -1.348 1.00 0.00 H new ATOM 1405 N LEU A 90 7.618 10.049 -0.531 1.00 0.00 N ATOM 1406 CA LEU A 90 8.731 10.780 0.066 1.00 0.00 C ATOM 1407 C LEU A 90 9.569 9.866 0.954 1.00 0.00 C ATOM 1408 O LEU A 90 9.035 9.114 1.769 1.00 0.00 O ATOM 1409 CB LEU A 90 8.210 11.964 0.882 1.00 0.00 C ATOM 1410 CG LEU A 90 7.125 12.812 0.217 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.765 12.147 0.360 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.102 14.212 0.813 1.00 0.00 C ATOM 0 H LEU A 90 7.112 9.446 0.118 1.00 0.00 H new ATOM 0 HA LEU A 90 9.363 11.152 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.819 11.585 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.053 12.612 1.123 1.00 0.00 H new ATOM 0 HG LEU A 90 7.356 12.895 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.006 12.765 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.788 11.166 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.525 12.032 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.324 14.801 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.896 14.149 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.069 14.690 0.657 1.00 0.00 H new