USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 675 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 32 TYR OH : rot 150:sc= -0.576 USER MOD Set 1.2: A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 45 GLN : amide:sc= -0.427 K(o=-0.43,f=-1.2) USER MOD Single : A 46 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.058) USER MOD Single : A 54 MET CE :methyl -119:sc= -8.99! (180deg=-12.9!) USER MOD Single : A 57 HIS : no HE2:sc= -0.997 K(o=-1,f=-2.6) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -146:sc= -5.62! (180deg=-8.43!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.842 USER MOD Single : A 113 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.5!) USER MOD Single : A 123 HIS : no HD1:sc= -0.672 X(o=-0.67,f=-0.64) USER MOD Single : A 124 LYS NZ :NH3+ -110:sc= -1.56 (180deg=-5.06!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -70:sc= -0.565 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.337 12.369 8.933 1.00 0.00 N ATOM 508 CA ASP A 31 8.423 11.549 9.459 1.00 0.00 C ATOM 509 C ASP A 31 8.095 10.065 9.332 1.00 0.00 C ATOM 510 O ASP A 31 8.981 9.236 9.129 1.00 0.00 O ATOM 511 CB ASP A 31 8.692 11.899 10.924 1.00 0.00 C ATOM 512 CG ASP A 31 9.613 13.095 11.071 1.00 0.00 C ATOM 513 OD1 ASP A 31 9.167 14.226 10.788 1.00 0.00 O ATOM 514 OD2 ASP A 31 10.779 12.900 11.473 1.00 0.00 O ATOM 0 HA ASP A 31 9.318 11.757 8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.747 12.108 11.425 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.135 11.038 11.425 1.00 0.00 H new ATOM 519 N TYR A 32 6.813 9.739 9.453 1.00 0.00 N ATOM 520 CA TYR A 32 6.358 8.357 9.352 1.00 0.00 C ATOM 521 C TYR A 32 5.436 8.181 8.153 1.00 0.00 C ATOM 522 O TYR A 32 5.038 9.155 7.517 1.00 0.00 O ATOM 523 CB TYR A 32 5.627 7.943 10.627 1.00 0.00 C ATOM 524 CG TYR A 32 6.542 7.456 11.725 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.494 6.473 11.483 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.448 7.980 13.007 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.327 6.026 12.491 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.277 7.536 14.020 1.00 0.00 C ATOM 529 CZ TYR A 32 8.215 6.560 13.757 1.00 0.00 C ATOM 530 OH TYR A 32 9.042 6.116 14.764 1.00 0.00 O ATOM 0 H TYR A 32 6.068 10.415 9.622 1.00 0.00 H new ATOM 0 HA TYR A 32 7.233 7.721 9.220 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.052 8.792 10.996 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.913 7.155 10.386 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.584 6.052 10.492 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.716 8.746 13.216 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.062 5.262 12.288 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.190 7.952 15.013 1.00 0.00 H new ATOM 0 HH TYR A 32 9.196 6.841 15.405 1.00 0.00 H new ATOM 540 N GLY A 33 5.097 6.933 7.851 1.00 0.00 N ATOM 541 CA GLY A 33 4.221 6.661 6.731 1.00 0.00 C ATOM 542 C GLY A 33 3.649 5.259 6.755 1.00 0.00 C ATOM 543 O GLY A 33 4.324 4.312 7.158 1.00 0.00 O ATOM 0 H GLY A 33 5.413 6.108 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.403 7.381 6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.772 6.807 5.802 1.00 0.00 H new ATOM 547 N LEU A 34 2.404 5.127 6.312 1.00 0.00 N ATOM 548 CA LEU A 34 1.742 3.830 6.271 1.00 0.00 C ATOM 549 C LEU A 34 1.782 3.272 4.854 1.00 0.00 C ATOM 550 O LEU A 34 1.137 3.802 3.950 1.00 0.00 O ATOM 551 CB LEU A 34 0.292 3.952 6.750 1.00 0.00 C ATOM 552 CG LEU A 34 -0.381 2.637 7.155 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.882 1.897 5.927 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.573 1.759 7.958 1.00 0.00 C ATOM 0 H LEU A 34 1.833 5.903 5.976 1.00 0.00 H new ATOM 0 HA LEU A 34 2.269 3.147 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.265 4.631 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.297 4.412 5.957 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.235 2.874 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.357 0.965 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.606 2.517 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.043 1.677 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.070 0.832 8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.452 1.530 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.880 2.287 8.861 1.00 0.00 H new ATOM 566 N VAL A 35 2.558 2.213 4.662 1.00 0.00 N ATOM 567 CA VAL A 35 2.696 1.605 3.346 1.00 0.00 C ATOM 568 C VAL A 35 1.821 0.370 3.193 1.00 0.00 C ATOM 569 O VAL A 35 1.628 -0.397 4.135 1.00 0.00 O ATOM 570 CB VAL A 35 4.156 1.206 3.056 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.704 0.335 4.175 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.260 0.483 1.719 1.00 0.00 C ATOM 0 H VAL A 35 3.099 1.759 5.398 1.00 0.00 H new ATOM 0 HA VAL A 35 2.374 2.363 2.632 1.00 0.00 H new ATOM 0 HB VAL A 35 4.754 2.116 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.736 0.063 3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.668 0.885 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.101 -0.569 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.299 0.210 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.647 -0.418 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.909 1.139 0.922 1.00 0.00 H new ATOM 582 N ALA A 36 1.321 0.177 1.979 1.00 0.00 N ATOM 583 CA ALA A 36 0.493 -0.972 1.664 1.00 0.00 C ATOM 584 C ALA A 36 1.342 -2.057 1.014 1.00 0.00 C ATOM 585 O ALA A 36 1.851 -1.874 -0.091 1.00 0.00 O ATOM 586 CB ALA A 36 -0.645 -0.560 0.745 1.00 0.00 C ATOM 0 H ALA A 36 1.478 0.809 1.194 1.00 0.00 H new ATOM 0 HA ALA A 36 0.064 -1.369 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.260 -1.430 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.256 0.196 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.237 -0.150 -0.179 1.00 0.00 H new ATOM 592 N LEU A 37 1.507 -3.176 1.714 1.00 0.00 N ATOM 593 CA LEU A 37 2.311 -4.286 1.210 1.00 0.00 C ATOM 594 C LEU A 37 1.517 -5.174 0.251 1.00 0.00 C ATOM 595 O LEU A 37 2.003 -6.220 -0.178 1.00 0.00 O ATOM 596 CB LEU A 37 2.836 -5.127 2.376 1.00 0.00 C ATOM 597 CG LEU A 37 3.348 -4.325 3.573 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.381 -5.192 4.821 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.730 -3.759 3.278 1.00 0.00 C ATOM 0 H LEU A 37 1.094 -3.338 2.633 1.00 0.00 H new ATOM 0 HA LEU A 37 3.148 -3.860 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.039 -5.788 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.643 -5.762 2.011 1.00 0.00 H new ATOM 0 HG LEU A 37 2.665 -3.495 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.748 -4.604 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.376 -5.552 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.043 -6.042 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.082 -3.191 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.422 -4.576 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.677 -3.104 2.408 1.00 0.00 H new ATOM 611 N GLU A 38 0.298 -4.759 -0.083 1.00 0.00 N ATOM 612 CA GLU A 38 -0.545 -5.528 -0.992 1.00 0.00 C ATOM 613 C GLU A 38 -1.488 -4.609 -1.766 1.00 0.00 C ATOM 614 O GLU A 38 -1.977 -3.616 -1.229 1.00 0.00 O ATOM 615 CB GLU A 38 -1.350 -6.569 -0.211 1.00 0.00 C ATOM 616 CG GLU A 38 -1.452 -7.914 -0.913 1.00 0.00 C ATOM 617 CD GLU A 38 -1.751 -9.051 0.045 1.00 0.00 C ATOM 618 OE1 GLU A 38 -1.293 -8.985 1.205 1.00 0.00 O ATOM 619 OE2 GLU A 38 -2.443 -10.005 -0.365 1.00 0.00 O ATOM 0 H GLU A 38 -0.126 -3.898 0.261 1.00 0.00 H new ATOM 0 HA GLU A 38 0.100 -6.039 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.890 -6.713 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.354 -6.183 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.235 -7.866 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.517 -8.119 -1.434 1.00 0.00 H new ATOM 626 N PRO A 39 -1.754 -4.925 -3.046 1.00 0.00 N ATOM 627 CA PRO A 39 -2.640 -4.116 -3.889 1.00 0.00 C ATOM 628 C PRO A 39 -4.094 -4.176 -3.431 1.00 0.00 C ATOM 629 O PRO A 39 -4.626 -5.253 -3.164 1.00 0.00 O ATOM 630 CB PRO A 39 -2.490 -4.744 -5.276 1.00 0.00 C ATOM 631 CG PRO A 39 -2.059 -6.146 -5.014 1.00 0.00 C ATOM 632 CD PRO A 39 -1.215 -6.090 -3.772 1.00 0.00 C ATOM 0 HA PRO A 39 -2.375 -3.059 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.430 -4.716 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.753 -4.209 -5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.920 -6.800 -4.873 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.491 -6.544 -5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.302 -7.005 -3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.159 -5.962 -4.009 1.00 0.00 H new ATOM 640 N ALA A 40 -4.730 -3.012 -3.346 1.00 0.00 N ATOM 641 CA ALA A 40 -6.122 -2.934 -2.922 1.00 0.00 C ATOM 642 C ALA A 40 -6.759 -1.619 -3.359 1.00 0.00 C ATOM 643 O ALA A 40 -6.078 -0.721 -3.853 1.00 0.00 O ATOM 644 CB ALA A 40 -6.223 -3.095 -1.412 1.00 0.00 C ATOM 0 H ALA A 40 -4.304 -2.112 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.667 -3.747 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.268 -3.035 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.816 -4.064 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.657 -2.302 -0.923 1.00 0.00 H new ATOM 650 N TRP A 41 -8.070 -1.514 -3.168 1.00 0.00 N ATOM 651 CA TRP A 41 -8.804 -0.309 -3.537 1.00 0.00 C ATOM 652 C TRP A 41 -9.270 0.440 -2.292 1.00 0.00 C ATOM 653 O TRP A 41 -10.175 -0.008 -1.589 1.00 0.00 O ATOM 654 CB TRP A 41 -10.005 -0.669 -4.413 1.00 0.00 C ATOM 655 CG TRP A 41 -9.618 -1.260 -5.734 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.555 -0.901 -6.511 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.290 -2.314 -6.432 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.523 -1.668 -7.651 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.577 -2.543 -7.625 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.423 -3.086 -6.165 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -9.963 -3.512 -8.548 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.804 -4.048 -7.081 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.076 -4.254 -8.260 1.00 0.00 C ATOM 0 H TRP A 41 -8.646 -2.250 -2.759 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.135 0.341 -4.102 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.638 -1.377 -3.877 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.603 0.226 -4.584 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.843 -0.127 -6.266 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.828 -1.597 -8.395 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.991 -2.934 -5.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.404 -3.672 -9.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.678 -4.651 -6.885 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.400 -5.014 -8.956 1.00 0.00 H new ATOM 674 N ILE A 42 -8.642 1.580 -2.023 1.00 0.00 N ATOM 675 CA ILE A 42 -8.987 2.387 -0.858 1.00 0.00 C ATOM 676 C ILE A 42 -10.133 3.348 -1.166 1.00 0.00 C ATOM 677 O ILE A 42 -10.016 4.211 -2.035 1.00 0.00 O ATOM 678 CB ILE A 42 -7.775 3.195 -0.355 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.533 2.304 -0.282 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.074 3.809 1.005 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.631 1.214 0.763 1.00 0.00 C ATOM 0 H ILE A 42 -7.891 1.966 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.302 1.693 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.578 4.002 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.366 1.847 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.663 2.924 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.208 4.376 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.934 4.474 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.294 3.017 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.716 0.622 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.767 1.664 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.481 0.570 0.538 1.00 0.00 H new ATOM 693 N THR A 43 -11.239 3.191 -0.444 1.00 0.00 N ATOM 694 CA THR A 43 -12.408 4.041 -0.636 1.00 0.00 C ATOM 695 C THR A 43 -12.224 5.390 0.047 1.00 0.00 C ATOM 696 O THR A 43 -11.255 5.604 0.776 1.00 0.00 O ATOM 697 CB THR A 43 -13.659 3.352 -0.089 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.329 2.497 0.992 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.383 2.522 -1.122 1.00 0.00 C ATOM 0 H THR A 43 -11.349 2.481 0.280 1.00 0.00 H new ATOM 0 HA THR A 43 -12.527 4.210 -1.706 1.00 0.00 H new ATOM 0 HB THR A 43 -14.316 4.160 0.232 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.143 2.067 1.329 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.260 2.061 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.695 3.161 -1.948 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.717 1.744 -1.496 1.00 0.00 H new ATOM 707 N ALA A 44 -13.165 6.296 -0.193 1.00 0.00 N ATOM 708 CA ALA A 44 -13.115 7.626 0.398 1.00 0.00 C ATOM 709 C ALA A 44 -13.138 7.546 1.919 1.00 0.00 C ATOM 710 O ALA A 44 -12.397 8.257 2.599 1.00 0.00 O ATOM 711 CB ALA A 44 -14.276 8.472 -0.106 1.00 0.00 C ATOM 0 H ALA A 44 -13.973 6.132 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.180 8.098 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.226 9.463 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.216 8.562 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.218 7.997 0.167 1.00 0.00 H new ATOM 717 N GLN A 45 -13.996 6.679 2.451 1.00 0.00 N ATOM 718 CA GLN A 45 -14.129 6.500 3.867 1.00 0.00 C ATOM 719 C GLN A 45 -12.808 6.114 4.520 1.00 0.00 C ATOM 720 O GLN A 45 -12.473 6.615 5.583 1.00 0.00 O ATOM 721 CB GLN A 45 -15.168 5.422 4.094 1.00 0.00 C ATOM 722 CG GLN A 45 -16.382 5.918 4.832 1.00 0.00 C ATOM 723 CD GLN A 45 -16.503 5.343 6.229 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.484 6.075 7.219 1.00 0.00 O ATOM 725 NE2 GLN A 45 -16.628 4.024 6.317 1.00 0.00 N ATOM 0 H GLN A 45 -14.614 6.086 1.897 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.435 7.440 4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.477 5.015 3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.717 4.604 4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.343 7.005 4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.276 5.664 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.639 3.455 5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.713 3.580 7.231 1.00 0.00 H new ATOM 734 N GLN A 46 -12.064 5.222 3.890 1.00 0.00 N ATOM 735 CA GLN A 46 -10.795 4.781 4.440 1.00 0.00 C ATOM 736 C GLN A 46 -9.845 5.960 4.632 1.00 0.00 C ATOM 737 O GLN A 46 -9.060 5.987 5.579 1.00 0.00 O ATOM 738 CB GLN A 46 -10.165 3.738 3.520 1.00 0.00 C ATOM 739 CG GLN A 46 -11.070 2.550 3.237 1.00 0.00 C ATOM 740 CD GLN A 46 -11.583 1.892 4.503 1.00 0.00 C ATOM 741 OE1 GLN A 46 -12.781 1.651 4.650 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.675 1.598 5.426 1.00 0.00 N ATOM 0 H GLN A 46 -12.316 4.790 3.001 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.979 4.332 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.897 4.213 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.239 3.380 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.917 2.879 2.634 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.524 1.815 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.692 1.816 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.960 1.154 6.299 1.00 0.00 H new ATOM 751 N ILE A 47 -9.921 6.930 3.730 1.00 0.00 N ATOM 752 CA ILE A 47 -9.068 8.109 3.806 1.00 0.00 C ATOM 753 C ILE A 47 -9.473 9.024 4.962 1.00 0.00 C ATOM 754 O ILE A 47 -8.632 9.436 5.760 1.00 0.00 O ATOM 755 CB ILE A 47 -9.101 8.911 2.490 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.828 7.989 1.300 1.00 0.00 C ATOM 757 CG2 ILE A 47 -8.086 10.045 2.535 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.322 8.540 -0.021 1.00 0.00 C ATOM 0 H ILE A 47 -10.564 6.924 2.938 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.054 7.749 3.980 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.094 9.344 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.755 7.808 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.303 7.025 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.121 10.602 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.323 10.712 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.086 9.633 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.094 7.833 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.400 8.695 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.829 9.490 -0.226 1.00 0.00 H new ATOM 770 N GLU A 48 -10.761 9.343 5.042 1.00 0.00 N ATOM 771 CA GLU A 48 -11.268 10.217 6.099 1.00 0.00 C ATOM 772 C GLU A 48 -11.531 9.442 7.388 1.00 0.00 C ATOM 773 O GLU A 48 -11.145 9.875 8.474 1.00 0.00 O ATOM 774 CB GLU A 48 -12.551 10.913 5.640 1.00 0.00 C ATOM 775 CG GLU A 48 -12.795 12.250 6.321 1.00 0.00 C ATOM 776 CD GLU A 48 -13.197 13.337 5.344 1.00 0.00 C ATOM 777 OE1 GLU A 48 -12.333 13.779 4.558 1.00 0.00 O ATOM 778 OE2 GLU A 48 -14.377 13.749 5.365 1.00 0.00 O ATOM 0 H GLU A 48 -11.472 9.011 4.391 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.503 10.966 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.505 11.067 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.399 10.256 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.577 12.134 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.891 12.556 6.847 1.00 0.00 H new ATOM 785 N ALA A 49 -12.191 8.295 7.261 1.00 0.00 N ATOM 786 CA ALA A 49 -12.510 7.457 8.415 1.00 0.00 C ATOM 787 C ALA A 49 -11.253 7.096 9.198 1.00 0.00 C ATOM 788 O ALA A 49 -11.219 7.210 10.423 1.00 0.00 O ATOM 789 CB ALA A 49 -13.241 6.194 7.972 1.00 0.00 C ATOM 0 H ALA A 49 -12.517 7.923 6.369 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.165 8.028 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.471 5.582 8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.167 6.468 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.608 5.628 7.288 1.00 0.00 H new ATOM 795 N ALA A 50 -10.219 6.663 8.483 1.00 0.00 N ATOM 796 CA ALA A 50 -8.960 6.287 9.114 1.00 0.00 C ATOM 797 C ALA A 50 -8.265 7.504 9.715 1.00 0.00 C ATOM 798 O ALA A 50 -7.724 7.439 10.819 1.00 0.00 O ATOM 799 CB ALA A 50 -8.049 5.604 8.106 1.00 0.00 C ATOM 0 H ALA A 50 -10.229 6.564 7.468 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.180 5.589 9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.112 5.328 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.537 4.708 7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.844 6.286 7.281 1.00 0.00 H new ATOM 805 N ARG A 51 -8.285 8.613 8.983 1.00 0.00 N ATOM 806 CA ARG A 51 -7.657 9.844 9.447 1.00 0.00 C ATOM 807 C ARG A 51 -8.272 10.301 10.767 1.00 0.00 C ATOM 808 O ARG A 51 -7.562 10.714 11.683 1.00 0.00 O ATOM 809 CB ARG A 51 -7.799 10.945 8.392 1.00 0.00 C ATOM 810 CG ARG A 51 -6.498 11.273 7.676 1.00 0.00 C ATOM 811 CD ARG A 51 -6.166 12.755 7.764 1.00 0.00 C ATOM 812 NE ARG A 51 -6.826 13.529 6.713 1.00 0.00 N ATOM 813 CZ ARG A 51 -7.929 14.253 6.895 1.00 0.00 C ATOM 814 NH1 ARG A 51 -8.518 14.303 8.085 1.00 0.00 N ATOM 815 NH2 ARG A 51 -8.450 14.930 5.881 1.00 0.00 N ATOM 0 H ARG A 51 -8.729 8.684 8.067 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.598 9.645 9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.542 10.638 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.179 11.848 8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.686 10.692 8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.574 10.979 6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.468 13.137 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.087 12.890 7.690 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.415 13.513 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.126 13.784 8.870 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.362 14.861 8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.006 14.896 4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.295 15.485 6.019 1.00 0.00 H new ATOM 829 N VAL A 52 -9.595 10.217 10.858 1.00 0.00 N ATOM 830 CA VAL A 52 -10.305 10.617 12.066 1.00 0.00 C ATOM 831 C VAL A 52 -9.817 9.822 13.274 1.00 0.00 C ATOM 832 O VAL A 52 -9.564 10.383 14.339 1.00 0.00 O ATOM 833 CB VAL A 52 -11.826 10.420 11.915 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.559 10.971 13.130 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.327 11.076 10.636 1.00 0.00 C ATOM 0 H VAL A 52 -10.197 9.875 10.109 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.099 11.676 12.221 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.031 9.351 11.850 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.632 10.823 13.006 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.222 10.449 14.026 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.349 12.036 13.230 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.403 10.926 10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.111 12.144 10.666 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.826 10.629 9.777 1.00 0.00 H new ATOM 845 N ALA A 53 -9.685 8.511 13.096 1.00 0.00 N ATOM 846 CA ALA A 53 -9.225 7.636 14.166 1.00 0.00 C ATOM 847 C ALA A 53 -7.783 7.951 14.547 1.00 0.00 C ATOM 848 O ALA A 53 -7.418 7.921 15.722 1.00 0.00 O ATOM 849 CB ALA A 53 -9.356 6.179 13.746 1.00 0.00 C ATOM 0 H ALA A 53 -9.891 8.032 12.219 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.851 7.809 15.041 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.009 5.535 14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.400 5.956 13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.753 6.001 12.856 1.00 0.00 H new ATOM 855 N MET A 54 -6.968 8.248 13.541 1.00 0.00 N ATOM 856 CA MET A 54 -5.561 8.567 13.760 1.00 0.00 C ATOM 857 C MET A 54 -5.397 9.931 14.423 1.00 0.00 C ATOM 858 O MET A 54 -4.700 10.062 15.428 1.00 0.00 O ATOM 859 CB MET A 54 -4.806 8.536 12.433 1.00 0.00 C ATOM 860 CG MET A 54 -4.696 7.145 11.832 1.00 0.00 C ATOM 861 SD MET A 54 -3.415 7.032 10.569 1.00 0.00 S ATOM 862 CE MET A 54 -4.304 7.636 9.137 1.00 0.00 C ATOM 0 H MET A 54 -7.258 8.275 12.563 1.00 0.00 H new ATOM 0 HA MET A 54 -5.145 7.815 14.431 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.309 9.192 11.722 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.804 8.938 12.584 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.484 6.427 12.624 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.655 6.865 11.397 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.340 6.857 8.376 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.319 7.907 9.427 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.795 8.512 8.736 1.00 0.00 H new ATOM 872 N VAL A 55 -6.038 10.946 13.850 1.00 0.00 N ATOM 873 CA VAL A 55 -5.955 12.302 14.385 1.00 0.00 C ATOM 874 C VAL A 55 -6.404 12.349 15.842 1.00 0.00 C ATOM 875 O VAL A 55 -5.823 13.066 16.656 1.00 0.00 O ATOM 876 CB VAL A 55 -6.812 13.284 13.560 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.631 14.708 14.064 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.463 13.187 12.082 1.00 0.00 C ATOM 0 H VAL A 55 -6.620 10.856 13.017 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.909 12.603 14.323 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.860 13.011 13.682 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.244 15.385 13.469 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.936 14.766 15.109 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.583 14.995 13.976 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.078 13.887 11.516 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.410 13.432 11.940 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.651 12.173 11.730 1.00 0.00 H new ATOM 888 N ARG A 56 -7.437 11.581 16.164 1.00 0.00 N ATOM 889 CA ARG A 56 -7.958 11.536 17.525 1.00 0.00 C ATOM 890 C ARG A 56 -7.034 10.731 18.434 1.00 0.00 C ATOM 891 O ARG A 56 -6.952 10.986 19.635 1.00 0.00 O ATOM 892 CB ARG A 56 -9.361 10.929 17.537 1.00 0.00 C ATOM 893 CG ARG A 56 -10.464 11.954 17.337 1.00 0.00 C ATOM 894 CD ARG A 56 -11.654 11.360 16.600 1.00 0.00 C ATOM 895 NE ARG A 56 -12.660 10.833 17.520 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.937 10.648 17.196 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.371 10.944 15.977 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.785 10.165 18.094 1.00 0.00 N ATOM 0 H ARG A 56 -7.930 10.981 15.503 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.010 12.557 17.902 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.429 10.175 16.753 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.519 10.417 18.486 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.788 12.334 18.306 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.075 12.803 16.776 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.106 12.123 15.967 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.311 10.562 15.942 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.366 10.593 18.467 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.724 11.316 15.282 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.351 10.800 15.736 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.458 9.936 19.033 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.764 10.023 17.846 1.00 0.00 H new ATOM 912 N HIS A 57 -6.342 9.760 17.850 1.00 0.00 N ATOM 913 CA HIS A 57 -5.423 8.914 18.603 1.00 0.00 C ATOM 914 C HIS A 57 -4.328 9.747 19.265 1.00 0.00 C ATOM 915 O HIS A 57 -4.116 9.661 20.474 1.00 0.00 O ATOM 916 CB HIS A 57 -4.795 7.864 17.685 1.00 0.00 C ATOM 917 CG HIS A 57 -4.490 6.572 18.376 1.00 0.00 C ATOM 918 ND1 HIS A 57 -5.402 5.910 19.172 1.00 0.00 N ATOM 919 CD2 HIS A 57 -3.366 5.817 18.388 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.851 4.805 19.644 1.00 0.00 C ATOM 921 NE2 HIS A 57 -3.617 4.725 19.182 1.00 0.00 N ATOM 0 H HIS A 57 -6.400 9.538 16.856 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.993 8.411 19.385 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.471 7.671 16.852 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.875 8.267 17.262 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.353 6.224 19.366 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.444 6.033 17.870 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.329 4.089 20.297 1.00 0.00 H new ATOM 930 N PHE A 58 -3.633 10.552 18.465 1.00 0.00 N ATOM 931 CA PHE A 58 -2.560 11.399 18.979 1.00 0.00 C ATOM 932 C PHE A 58 -3.082 12.332 20.069 1.00 0.00 C ATOM 933 O PHE A 58 -3.970 13.150 19.825 1.00 0.00 O ATOM 934 CB PHE A 58 -1.930 12.219 17.849 1.00 0.00 C ATOM 935 CG PHE A 58 -1.742 11.451 16.569 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.776 10.462 16.470 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.536 11.720 15.466 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.605 9.757 15.293 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.369 11.018 14.288 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.403 10.036 14.201 1.00 0.00 C ATOM 0 H PHE A 58 -3.793 10.636 17.461 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.798 10.750 19.410 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.557 13.088 17.651 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.962 12.594 18.182 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.150 10.240 17.322 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.294 12.487 15.528 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.152 8.989 15.228 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.994 11.238 13.435 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.271 9.487 13.280 1.00 0.00 H new ATOM 950 N ARG A 59 -2.529 12.202 21.270 1.00 0.00 N ATOM 951 CA ARG A 59 -2.944 13.032 22.396 1.00 0.00 C ATOM 952 C ARG A 59 -2.177 14.351 22.419 1.00 0.00 C ATOM 953 O ARG A 59 -2.688 15.367 22.890 1.00 0.00 O ATOM 954 CB ARG A 59 -2.729 12.283 23.714 1.00 0.00 C ATOM 955 CG ARG A 59 -3.426 10.933 23.768 1.00 0.00 C ATOM 956 CD ARG A 59 -3.819 10.562 25.190 1.00 0.00 C ATOM 957 NE ARG A 59 -5.268 10.483 25.354 1.00 0.00 N ATOM 958 CZ ARG A 59 -6.035 9.584 24.742 1.00 0.00 C ATOM 959 NH1 ARG A 59 -5.496 8.686 23.927 1.00 0.00 N ATOM 960 NH2 ARG A 59 -7.346 9.582 24.946 1.00 0.00 N ATOM 0 H ARG A 59 -1.793 11.531 21.489 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.005 13.253 22.277 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.660 12.137 23.869 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.089 12.901 24.536 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.316 10.957 23.139 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.767 10.166 23.360 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.372 9.603 25.451 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.416 11.301 25.882 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.719 11.156 25.974 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.489 8.682 23.767 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.089 7.999 23.461 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.766 10.269 25.572 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.934 8.893 24.477 1.00 0.00 H new ATOM 974 N ARG A 60 -0.950 14.329 21.908 1.00 0.00 N ATOM 975 CA ARG A 60 -0.117 15.526 21.874 1.00 0.00 C ATOM 976 C ARG A 60 -0.204 16.216 20.516 1.00 0.00 C ATOM 977 O ARG A 60 0.767 16.812 20.049 1.00 0.00 O ATOM 978 CB ARG A 60 1.337 15.168 22.186 1.00 0.00 C ATOM 979 CG ARG A 60 1.538 14.606 23.584 1.00 0.00 C ATOM 980 CD ARG A 60 2.788 15.172 24.241 1.00 0.00 C ATOM 981 NE ARG A 60 2.574 15.478 25.654 1.00 0.00 N ATOM 982 CZ ARG A 60 3.558 15.705 26.521 1.00 0.00 C ATOM 983 NH1 ARG A 60 4.824 15.663 26.126 1.00 0.00 N ATOM 984 NH2 ARG A 60 3.275 15.976 27.788 1.00 0.00 N ATOM 0 H ARG A 60 -0.511 13.497 21.513 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.486 16.216 22.633 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.688 14.438 21.456 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.955 16.058 22.069 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.667 14.837 24.198 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.613 13.520 23.533 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.604 14.456 24.145 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.095 16.077 23.717 1.00 0.00 H new ATOM 0 HE ARG A 60 1.614 15.520 25.996 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.048 15.456 25.153 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.573 15.838 26.796 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.304 16.010 28.098 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.029 16.150 28.453 1.00 0.00 H new ATOM 998 N GLY A 61 -1.373 16.133 19.888 1.00 0.00 N ATOM 999 CA GLY A 61 -1.563 16.756 18.591 1.00 0.00 C ATOM 1000 C GLY A 61 -0.800 16.049 17.489 1.00 0.00 C ATOM 1001 O GLY A 61 0.156 15.320 17.755 1.00 0.00 O ATOM 0 H GLY A 61 -2.191 15.646 20.254 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.625 16.762 18.347 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.242 17.796 18.641 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.222 16.266 16.248 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.560 15.636 15.120 1.00 0.00 C ATOM 1007 C GLY A 62 -1.335 15.798 13.827 1.00 0.00 C ATOM 1008 O GLY A 62 -2.536 16.070 13.845 1.00 0.00 O ATOM 0 H GLY A 62 -2.010 16.866 16.003 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.434 16.066 15.000 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.425 14.575 15.328 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.647 15.632 12.703 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.276 15.759 11.394 1.00 0.00 C ATOM 1014 C LYS A 63 -0.840 14.628 10.470 1.00 0.00 C ATOM 1015 O LYS A 63 0.277 14.121 10.576 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.926 17.109 10.765 1.00 0.00 C ATOM 1017 CG LYS A 63 0.559 17.428 10.797 1.00 0.00 C ATOM 1018 CD LYS A 63 0.805 18.913 11.007 1.00 0.00 C ATOM 1019 CE LYS A 63 2.218 19.180 11.501 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.240 18.830 10.475 1.00 0.00 N ATOM 0 H LYS A 63 0.348 15.409 12.672 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.356 15.698 11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.269 17.118 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.470 17.896 11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.037 16.862 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.021 17.110 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.639 19.446 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.087 19.303 11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.317 20.232 11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.401 18.603 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.190 19.026 10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.163 17.820 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.081 19.399 9.619 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.730 14.234 9.563 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.435 13.161 8.621 1.00 0.00 C ATOM 1036 C ILE A 64 -1.487 13.660 7.182 1.00 0.00 C ATOM 1037 O ILE A 64 -2.343 14.470 6.824 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.418 11.980 8.767 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.848 11.807 10.227 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.784 10.701 8.243 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.821 10.668 10.438 1.00 0.00 C ATOM 0 H ILE A 64 -2.659 14.642 9.461 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.428 12.817 8.856 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.307 12.197 8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.963 11.637 10.840 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.304 12.734 10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.487 9.875 8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.530 10.826 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.879 10.484 8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.082 10.604 11.494 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.722 10.846 9.851 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.360 9.732 10.121 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.569 13.164 6.360 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.510 13.546 4.955 1.00 0.00 C ATOM 1055 C PHE A 65 -0.987 12.398 4.074 1.00 0.00 C ATOM 1056 O PHE A 65 -0.311 11.376 3.948 1.00 0.00 O ATOM 1057 CB PHE A 65 0.916 13.948 4.573 1.00 0.00 C ATOM 1058 CG PHE A 65 1.490 15.030 5.444 1.00 0.00 C ATOM 1059 CD1 PHE A 65 1.114 16.351 5.269 1.00 0.00 C ATOM 1060 CD2 PHE A 65 2.407 14.724 6.437 1.00 0.00 C ATOM 1061 CE1 PHE A 65 1.640 17.348 6.068 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.936 15.716 7.240 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.553 17.030 7.055 1.00 0.00 C ATOM 0 H PHE A 65 0.146 12.495 6.644 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.167 14.402 4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.559 13.070 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.924 14.285 3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.401 16.605 4.499 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.712 13.698 6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.338 18.374 5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.648 15.464 8.012 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.966 17.807 7.681 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.161 12.567 3.473 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.732 11.539 2.612 1.00 0.00 C ATOM 1075 C ILE A 66 -2.410 11.805 1.145 1.00 0.00 C ATOM 1076 O ILE A 66 -2.642 12.903 0.637 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.265 11.447 2.778 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.670 11.722 4.229 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.763 10.078 2.338 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -4.005 10.800 5.229 1.00 0.00 C ATOM 0 H ILE A 66 -2.734 13.405 3.567 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.283 10.593 2.916 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.725 12.206 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.421 12.754 4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.752 11.624 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.845 10.028 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.509 9.918 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.293 9.307 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.339 11.053 6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.274 9.767 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.923 10.915 5.166 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.877 10.792 0.470 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.524 10.913 -0.940 1.00 0.00 C ATOM 1094 C ARG A 67 -2.526 10.167 -1.815 1.00 0.00 C ATOM 1095 O ARG A 67 -2.763 10.542 -2.962 1.00 0.00 O ATOM 1096 CB ARG A 67 -0.114 10.371 -1.183 1.00 0.00 C ATOM 1097 CG ARG A 67 0.561 10.960 -2.411 1.00 0.00 C ATOM 1098 CD ARG A 67 0.962 12.409 -2.186 1.00 0.00 C ATOM 1099 NE ARG A 67 1.163 13.124 -3.445 1.00 0.00 N ATOM 1100 CZ ARG A 67 1.153 14.451 -3.552 1.00 0.00 C ATOM 1101 NH1 ARG A 67 0.956 15.209 -2.480 1.00 0.00 N ATOM 1102 NH2 ARG A 67 1.341 15.022 -4.733 1.00 0.00 N ATOM 0 H ARG A 67 -1.680 9.878 0.877 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.550 11.969 -1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.501 10.576 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.164 9.287 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.444 10.371 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.114 10.897 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.191 12.912 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.880 12.444 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 67 1.320 12.575 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.811 14.775 -1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.949 16.225 -2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.493 14.445 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.333 16.039 -4.815 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.110 9.108 -1.264 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.087 8.308 -1.992 1.00 0.00 C ATOM 1118 C ILE A 68 -5.382 9.085 -2.207 1.00 0.00 C ATOM 1119 O ILE A 68 -5.900 9.714 -1.284 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.407 6.997 -1.250 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -4.942 7.293 0.152 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.170 6.113 -1.174 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.347 6.053 0.917 1.00 0.00 C ATOM 0 H ILE A 68 -2.923 8.784 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.643 8.070 -2.958 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.177 6.464 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.179 7.827 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.802 7.958 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.414 5.191 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.830 5.876 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.379 6.639 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.717 6.338 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.133 5.530 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.484 5.397 1.029 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.899 9.038 -3.431 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.131 9.740 -3.767 1.00 0.00 C ATOM 1137 C PHE A 69 -8.048 8.854 -4.610 1.00 0.00 C ATOM 1138 O PHE A 69 -7.585 8.134 -5.495 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.812 11.032 -4.519 1.00 0.00 C ATOM 1140 CG PHE A 69 -6.991 12.268 -3.685 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -8.227 12.888 -3.597 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -5.922 12.811 -2.989 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -8.395 14.025 -2.830 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -6.084 13.949 -2.221 1.00 0.00 C ATOM 1145 CZ PHE A 69 -7.322 14.557 -2.142 1.00 0.00 C ATOM 0 H PHE A 69 -5.483 8.521 -4.206 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.649 9.986 -2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.783 10.990 -4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.453 11.100 -5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.069 12.478 -4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.952 12.340 -3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.364 14.497 -2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.244 14.362 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.451 15.447 -1.543 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.367 8.895 -4.349 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.343 8.093 -5.092 1.00 0.00 C ATOM 1157 C PRO A 70 -10.570 8.624 -6.505 1.00 0.00 C ATOM 1158 O PRO A 70 -10.861 9.805 -6.694 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.618 8.229 -4.259 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.481 9.545 -3.576 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.010 9.726 -3.311 1.00 0.00 C ATOM 0 HA PRO A 70 -10.012 7.063 -5.224 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.508 8.199 -4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.710 7.416 -3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.867 10.351 -4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.050 9.563 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.713 10.772 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.739 9.396 -2.308 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.437 4.601 -5.649 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.348 4.092 -4.824 1.00 0.00 C ATOM 1541 C VAL A 94 -9.992 4.499 -5.388 1.00 0.00 C ATOM 1542 O VAL A 94 -9.899 5.028 -6.496 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.397 2.556 -4.709 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.431 2.126 -3.681 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.684 1.923 -6.063 1.00 0.00 C ATOM 0 HA VAL A 94 -11.476 4.529 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.420 2.208 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.449 1.038 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.172 2.543 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.415 2.488 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.714 0.838 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.645 2.279 -6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.899 2.198 -6.767 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.938 4.241 -4.619 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.583 4.572 -5.039 1.00 0.00 C ATOM 1557 C ALA A 95 -6.713 3.321 -5.096 1.00 0.00 C ATOM 1558 O ALA A 95 -6.288 2.801 -4.065 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.974 5.600 -4.098 1.00 0.00 C ATOM 0 H ALA A 95 -8.998 3.803 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.630 5.000 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.962 5.837 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.580 6.506 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.943 5.194 -3.087 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.459 2.839 -6.307 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.646 1.643 -6.497 1.00 0.00 C ATOM 1567 C VAL A 96 -4.249 1.824 -5.911 1.00 0.00 C ATOM 1568 O VAL A 96 -3.585 2.832 -6.158 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.521 1.270 -7.988 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.001 -0.151 -8.136 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.858 1.428 -8.698 1.00 0.00 C ATOM 0 H VAL A 96 -6.804 3.257 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.156 0.835 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.808 1.950 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.918 -0.400 -9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.020 -0.230 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.691 -0.843 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.746 1.160 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.596 0.775 -8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.190 2.463 -8.622 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.812 0.844 -5.130 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.498 0.889 -4.502 1.00 0.00 C ATOM 1583 C VAL A 97 -1.695 -0.371 -4.816 1.00 0.00 C ATOM 1584 O VAL A 97 -2.257 -1.386 -5.225 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.616 1.040 -2.973 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.255 1.301 -2.351 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.594 2.151 -2.619 1.00 0.00 C ATOM 0 H VAL A 97 -4.351 0.005 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.980 1.757 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.000 0.105 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.362 1.404 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.588 0.467 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.836 2.219 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.664 2.242 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.243 3.093 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.577 1.915 -3.027 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.381 -0.298 -4.624 1.00 0.00 N ATOM 1598 CA LYS A 98 0.497 -1.435 -4.886 1.00 0.00 C ATOM 1599 C LYS A 98 1.428 -1.687 -3.700 1.00 0.00 C ATOM 1600 O LYS A 98 1.649 -0.802 -2.876 1.00 0.00 O ATOM 1601 CB LYS A 98 1.319 -1.191 -6.155 1.00 0.00 C ATOM 1602 CG LYS A 98 1.281 -2.352 -7.139 1.00 0.00 C ATOM 1603 CD LYS A 98 0.560 -1.973 -8.423 1.00 0.00 C ATOM 1604 CE LYS A 98 0.887 -2.940 -9.551 1.00 0.00 C ATOM 1605 NZ LYS A 98 0.366 -4.307 -9.278 1.00 0.00 N ATOM 0 H LYS A 98 0.100 0.537 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.125 -2.318 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.949 -0.294 -6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.354 -0.997 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.298 -2.666 -7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.781 -3.204 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.516 -1.966 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.843 -0.962 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.461 -2.568 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.967 -2.984 -9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.609 -4.936 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.792 -4.672 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.668 -4.270 -9.171 1.00 0.00 H new ATOM 1619 N PRO A 99 1.993 -2.903 -3.599 1.00 0.00 N ATOM 1620 CA PRO A 99 2.905 -3.259 -2.505 1.00 0.00 C ATOM 1621 C PRO A 99 4.072 -2.287 -2.393 1.00 0.00 C ATOM 1622 O PRO A 99 4.880 -2.162 -3.313 1.00 0.00 O ATOM 1623 CB PRO A 99 3.405 -4.654 -2.889 1.00 0.00 C ATOM 1624 CG PRO A 99 2.356 -5.202 -3.793 1.00 0.00 C ATOM 1625 CD PRO A 99 1.790 -4.023 -4.536 1.00 0.00 C ATOM 0 HA PRO A 99 2.409 -3.227 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.371 -4.603 -3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.536 -5.283 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.779 -5.932 -4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.580 -5.714 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.308 -3.856 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.735 -4.164 -4.771 1.00 0.00 H new ATOM 1633 N GLY A 100 4.153 -1.599 -1.259 1.00 0.00 N ATOM 1634 CA GLY A 100 5.223 -0.645 -1.049 1.00 0.00 C ATOM 1635 C GLY A 100 4.798 0.777 -1.360 1.00 0.00 C ATOM 1636 O GLY A 100 5.618 1.601 -1.763 1.00 0.00 O ATOM 0 H GLY A 100 3.497 -1.686 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.560 -0.703 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.073 -0.913 -1.676 1.00 0.00 H new ATOM 1640 N ARG A 101 3.511 1.063 -1.181 1.00 0.00 N ATOM 1641 CA ARG A 101 2.982 2.398 -1.455 1.00 0.00 C ATOM 1642 C ARG A 101 2.578 3.111 -0.169 1.00 0.00 C ATOM 1643 O ARG A 101 1.715 2.637 0.569 1.00 0.00 O ATOM 1644 CB ARG A 101 1.777 2.308 -2.387 1.00 0.00 C ATOM 1645 CG ARG A 101 1.705 3.437 -3.399 1.00 0.00 C ATOM 1646 CD ARG A 101 1.656 4.792 -2.713 1.00 0.00 C ATOM 1647 NE ARG A 101 1.237 5.855 -3.623 1.00 0.00 N ATOM 1648 CZ ARG A 101 2.046 6.443 -4.501 1.00 0.00 C ATOM 1649 NH1 ARG A 101 3.318 6.074 -4.592 1.00 0.00 N ATOM 1650 NH2 ARG A 101 1.583 7.403 -5.289 1.00 0.00 N ATOM 0 H ARG A 101 2.817 0.393 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 101 3.773 2.974 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.810 1.357 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.865 2.308 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.571 3.392 -4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.821 3.312 -4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.968 4.746 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.640 5.029 -2.309 1.00 0.00 H new ATOM 0 HE ARG A 101 0.266 6.165 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.680 5.336 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.934 6.528 -5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.607 7.691 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.203 7.854 -5.962 1.00 0.00 H new ATOM 1664 N VAL A 102 3.198 4.260 0.085 1.00 0.00 N ATOM 1665 CA VAL A 102 2.893 5.047 1.275 1.00 0.00 C ATOM 1666 C VAL A 102 1.564 5.778 1.110 1.00 0.00 C ATOM 1667 O VAL A 102 1.483 6.788 0.410 1.00 0.00 O ATOM 1668 CB VAL A 102 3.998 6.079 1.575 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.861 6.607 2.994 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.377 5.472 1.357 1.00 0.00 C ATOM 0 H VAL A 102 3.914 4.666 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 102 2.830 4.349 2.110 1.00 0.00 H new ATOM 0 HB VAL A 102 3.883 6.915 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.649 7.334 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.889 7.085 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.947 5.781 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.141 6.218 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.507 4.616 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.472 5.147 0.321 1.00 0.00 H new ATOM 1680 N MET A 103 0.522 5.255 1.747 1.00 0.00 N ATOM 1681 CA MET A 103 -0.807 5.851 1.661 1.00 0.00 C ATOM 1682 C MET A 103 -1.015 6.926 2.726 1.00 0.00 C ATOM 1683 O MET A 103 -1.869 7.800 2.575 1.00 0.00 O ATOM 1684 CB MET A 103 -1.879 4.768 1.801 1.00 0.00 C ATOM 1685 CG MET A 103 -1.628 3.549 0.929 1.00 0.00 C ATOM 1686 SD MET A 103 -2.745 2.185 1.303 1.00 0.00 S ATOM 1687 CE MET A 103 -1.931 1.460 2.726 1.00 0.00 C ATOM 0 H MET A 103 0.572 4.419 2.329 1.00 0.00 H new ATOM 0 HA MET A 103 -0.892 6.326 0.684 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.933 4.454 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.849 5.194 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.739 3.828 -0.119 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.598 3.217 1.063 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.076 0.380 2.717 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.865 1.684 2.689 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.357 1.875 3.639 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.241 6.858 3.806 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.360 7.830 4.889 1.00 0.00 C ATOM 1699 C PHE A 104 1.011 8.298 5.366 1.00 0.00 C ATOM 1700 O PHE A 104 2.025 7.662 5.084 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.139 7.221 6.055 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.599 7.031 5.762 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.030 5.966 4.988 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.540 7.916 6.261 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.373 5.788 4.716 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.884 7.744 5.993 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.302 6.678 5.219 1.00 0.00 C ATOM 0 H PHE A 104 0.472 6.144 3.954 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.899 8.697 4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.699 6.257 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.032 7.864 6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.308 5.267 4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.219 8.751 6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.696 4.954 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.608 8.442 6.388 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.352 6.541 5.008 1.00 0.00 H new ATOM 1717 N GLU A 105 1.032 9.417 6.088 1.00 0.00 N ATOM 1718 CA GLU A 105 2.280 9.973 6.603 1.00 0.00 C ATOM 1719 C GLU A 105 2.023 10.936 7.759 1.00 0.00 C ATOM 1720 O GLU A 105 1.356 11.955 7.591 1.00 0.00 O ATOM 1721 CB GLU A 105 3.036 10.698 5.488 1.00 0.00 C ATOM 1722 CG GLU A 105 3.812 9.770 4.568 1.00 0.00 C ATOM 1723 CD GLU A 105 3.116 9.553 3.237 1.00 0.00 C ATOM 1724 OE1 GLU A 105 1.878 9.701 3.184 1.00 0.00 O ATOM 1725 OE2 GLU A 105 3.812 9.238 2.249 1.00 0.00 O ATOM 0 H GLU A 105 0.200 9.955 6.329 1.00 0.00 H new ATOM 0 HA GLU A 105 2.885 9.145 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.325 11.272 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.727 11.412 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.804 10.185 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.952 8.808 5.062 1.00 0.00 H new ATOM 1732 N VAL A 106 2.565 10.612 8.931 1.00 0.00 N ATOM 1733 CA VAL A 106 2.399 11.462 10.107 1.00 0.00 C ATOM 1734 C VAL A 106 3.714 12.133 10.488 1.00 0.00 C ATOM 1735 O VAL A 106 4.791 11.650 10.143 1.00 0.00 O ATOM 1736 CB VAL A 106 1.866 10.672 11.320 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.528 10.030 10.993 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.873 9.623 11.775 1.00 0.00 C ATOM 0 H VAL A 106 3.120 9.771 9.091 1.00 0.00 H new ATOM 0 HA VAL A 106 1.666 12.222 9.838 1.00 0.00 H new ATOM 0 HB VAL A 106 1.719 11.372 12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.168 9.477 11.861 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.193 10.805 10.732 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.648 9.347 10.152 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.472 9.081 12.631 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.064 8.924 10.960 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.805 10.112 12.059 1.00 0.00 H new ATOM 1748 N ALA A 107 3.617 13.247 11.205 1.00 0.00 N ATOM 1749 CA ALA A 107 4.800 13.982 11.635 1.00 0.00 C ATOM 1750 C ALA A 107 4.511 14.800 12.888 1.00 0.00 C ATOM 1751 O ALA A 107 3.439 15.391 13.022 1.00 0.00 O ATOM 1752 CB ALA A 107 5.299 14.883 10.515 1.00 0.00 C ATOM 0 H ALA A 107 2.732 13.660 11.500 1.00 0.00 H new ATOM 0 HA ALA A 107 5.579 13.259 11.877 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.183 15.425 10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.554 14.276 9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.518 15.594 10.245 1.00 0.00 H new ATOM 1758 N GLY A 108 5.474 14.833 13.802 1.00 0.00 N ATOM 1759 CA GLY A 108 5.303 15.583 15.032 1.00 0.00 C ATOM 1760 C GLY A 108 4.883 14.707 16.196 1.00 0.00 C ATOM 1761 O GLY A 108 5.154 15.030 17.353 1.00 0.00 O ATOM 0 H GLY A 108 6.370 14.354 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.238 16.086 15.279 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.554 16.360 14.878 1.00 0.00 H new ATOM 1765 N VAL A 109 4.219 13.595 15.892 1.00 0.00 N ATOM 1766 CA VAL A 109 3.764 12.675 16.928 1.00 0.00 C ATOM 1767 C VAL A 109 4.850 11.666 17.284 1.00 0.00 C ATOM 1768 O VAL A 109 5.757 11.409 16.493 1.00 0.00 O ATOM 1769 CB VAL A 109 2.491 11.920 16.495 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.354 12.898 16.242 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.759 11.063 15.264 1.00 0.00 C ATOM 0 H VAL A 109 3.985 13.311 14.941 1.00 0.00 H new ATOM 0 HA VAL A 109 3.534 13.278 17.806 1.00 0.00 H new ATOM 0 HB VAL A 109 2.194 11.254 17.305 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.463 12.349 15.937 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.143 13.454 17.155 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.640 13.592 15.452 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.846 10.541 14.978 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.085 11.700 14.442 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.538 10.335 15.490 1.00 0.00 H new ATOM 1781 N THR A 110 4.751 11.097 18.481 1.00 0.00 N ATOM 1782 CA THR A 110 5.726 10.117 18.944 1.00 0.00 C ATOM 1783 C THR A 110 5.645 8.835 18.122 1.00 0.00 C ATOM 1784 O THR A 110 4.758 8.680 17.282 1.00 0.00 O ATOM 1785 CB THR A 110 5.499 9.801 20.423 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.239 9.185 20.617 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.552 11.026 21.312 1.00 0.00 C ATOM 0 H THR A 110 4.006 11.298 19.148 1.00 0.00 H new ATOM 0 HA THR A 110 6.720 10.545 18.818 1.00 0.00 H new ATOM 0 HB THR A 110 6.313 9.132 20.703 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.114 8.989 21.569 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.383 10.731 22.348 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.531 11.498 21.224 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.780 11.732 21.005 1.00 0.00 H new ATOM 1795 N GLU A 111 6.576 7.921 18.370 1.00 0.00 N ATOM 1796 CA GLU A 111 6.613 6.652 17.654 1.00 0.00 C ATOM 1797 C GLU A 111 5.435 5.769 18.052 1.00 0.00 C ATOM 1798 O GLU A 111 4.816 5.123 17.206 1.00 0.00 O ATOM 1799 CB GLU A 111 7.929 5.925 17.936 1.00 0.00 C ATOM 1800 CG GLU A 111 8.048 4.584 17.229 1.00 0.00 C ATOM 1801 CD GLU A 111 9.423 3.964 17.383 1.00 0.00 C ATOM 1802 OE1 GLU A 111 9.975 4.012 18.503 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.950 3.430 16.384 1.00 0.00 O ATOM 0 H GLU A 111 7.316 8.036 19.062 1.00 0.00 H new ATOM 0 HA GLU A 111 6.542 6.861 16.587 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.759 6.562 17.630 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.025 5.769 19.011 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.298 3.900 17.627 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.829 4.715 16.169 1.00 0.00 H new ATOM 1810 N GLU A 112 5.131 5.743 19.346 1.00 0.00 N ATOM 1811 CA GLU A 112 4.027 4.937 19.855 1.00 0.00 C ATOM 1812 C GLU A 112 2.698 5.399 19.265 1.00 0.00 C ATOM 1813 O GLU A 112 1.872 4.582 18.859 1.00 0.00 O ATOM 1814 CB GLU A 112 3.979 5.011 21.384 1.00 0.00 C ATOM 1815 CG GLU A 112 4.427 3.731 22.067 1.00 0.00 C ATOM 1816 CD GLU A 112 3.380 2.637 22.002 1.00 0.00 C ATOM 1817 OE1 GLU A 112 3.325 1.930 20.974 1.00 0.00 O ATOM 1818 OE2 GLU A 112 2.614 2.489 22.977 1.00 0.00 O ATOM 0 H GLU A 112 5.633 6.270 20.060 1.00 0.00 H new ATOM 0 HA GLU A 112 4.194 3.903 19.554 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.611 5.833 21.720 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.961 5.243 21.697 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.346 3.377 21.600 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.661 3.943 23.110 1.00 0.00 H new ATOM 1825 N GLN A 113 2.498 6.711 19.221 1.00 0.00 N ATOM 1826 CA GLN A 113 1.268 7.279 18.679 1.00 0.00 C ATOM 1827 C GLN A 113 1.258 7.198 17.157 1.00 0.00 C ATOM 1828 O GLN A 113 0.224 6.931 16.545 1.00 0.00 O ATOM 1829 CB GLN A 113 1.114 8.734 19.125 1.00 0.00 C ATOM 1830 CG GLN A 113 1.362 8.946 20.611 1.00 0.00 C ATOM 1831 CD GLN A 113 0.077 9.123 21.397 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -1.008 9.216 20.824 1.00 0.00 O ATOM 1833 NE2 GLN A 113 0.195 9.172 22.719 1.00 0.00 N ATOM 0 H GLN A 113 3.171 7.402 19.554 1.00 0.00 H new ATOM 0 HA GLN A 113 0.429 6.698 19.062 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.808 9.354 18.557 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.108 9.075 18.881 1.00 0.00 H new ATOM 0 HG2 GLN A 113 1.913 8.094 21.009 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.992 9.825 20.749 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.115 9.091 23.152 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -0.634 9.291 23.301 1.00 0.00 H new ATOM 1842 N ALA A 114 2.417 7.434 16.554 1.00 0.00 N ATOM 1843 CA ALA A 114 2.550 7.392 15.104 1.00 0.00 C ATOM 1844 C ALA A 114 2.417 5.969 14.573 1.00 0.00 C ATOM 1845 O ALA A 114 1.679 5.718 13.621 1.00 0.00 O ATOM 1846 CB ALA A 114 3.884 7.989 14.690 1.00 0.00 C ATOM 0 H ALA A 114 3.280 7.657 17.049 1.00 0.00 H new ATOM 0 HA ALA A 114 1.742 7.982 14.672 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.977 7.954 13.605 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.939 9.024 15.026 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.694 7.417 15.142 1.00 0.00 H new ATOM 1852 N MET A 115 3.138 5.040 15.193 1.00 0.00 N ATOM 1853 CA MET A 115 3.099 3.643 14.779 1.00 0.00 C ATOM 1854 C MET A 115 1.700 3.064 14.953 1.00 0.00 C ATOM 1855 O MET A 115 1.186 2.380 14.068 1.00 0.00 O ATOM 1856 CB MET A 115 4.110 2.822 15.583 1.00 0.00 C ATOM 1857 CG MET A 115 5.558 3.152 15.258 1.00 0.00 C ATOM 1858 SD MET A 115 6.410 1.805 14.417 1.00 0.00 S ATOM 1859 CE MET A 115 7.581 2.717 13.415 1.00 0.00 C ATOM 0 H MET A 115 3.755 5.230 15.983 1.00 0.00 H new ATOM 0 HA MET A 115 3.363 3.595 13.723 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.938 2.989 16.646 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.937 1.762 15.395 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.591 4.044 14.632 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.087 3.391 16.181 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.184 2.019 12.834 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.042 3.381 12.739 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.231 3.307 14.061 1.00 0.00 H new ATOM 1869 N GLU A 116 1.088 3.342 16.100 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.254 2.848 16.385 1.00 0.00 C ATOM 1871 C GLU A 116 -1.277 3.500 15.463 1.00 0.00 C ATOM 1872 O GLU A 116 -2.105 2.818 14.860 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.622 3.118 17.844 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.609 2.114 18.416 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.399 1.872 19.898 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -1.179 2.854 20.636 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -1.454 0.697 20.320 1.00 0.00 O ATOM 0 H GLU A 116 1.499 3.905 16.845 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.263 1.772 16.210 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.286 3.107 18.447 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.046 4.119 17.924 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.625 2.473 18.250 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.513 1.170 17.880 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.214 4.824 15.354 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.138 5.563 14.502 1.00 0.00 C ATOM 1886 C ALA A 117 -2.078 5.057 13.065 1.00 0.00 C ATOM 1887 O ALA A 117 -3.107 4.775 12.453 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.826 7.052 14.554 1.00 0.00 C ATOM 0 H ALA A 117 -0.534 5.405 15.844 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.149 5.402 14.875 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.523 7.592 13.914 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.924 7.409 15.579 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.807 7.223 14.206 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.867 4.932 12.535 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.679 4.447 11.173 1.00 0.00 C ATOM 1896 C LEU A 118 -1.230 3.032 11.031 1.00 0.00 C ATOM 1897 O LEU A 118 -1.692 2.639 9.960 1.00 0.00 O ATOM 1898 CB LEU A 118 0.808 4.476 10.797 1.00 0.00 C ATOM 1899 CG LEU A 118 1.287 5.727 10.044 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.401 6.930 10.338 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.732 6.036 10.405 1.00 0.00 C ATOM 0 H LEU A 118 -0.002 5.159 13.026 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.224 5.103 10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.395 4.378 11.710 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.025 3.601 10.184 1.00 0.00 H new ATOM 0 HG LEU A 118 1.222 5.519 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.770 7.796 9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.622 6.713 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.420 7.143 11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.060 6.924 9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.809 6.214 11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.364 5.191 10.131 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.185 2.276 12.123 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.686 0.907 12.126 1.00 0.00 C ATOM 1915 C ARG A 119 -3.212 0.893 12.130 1.00 0.00 C ATOM 1916 O ARG A 119 -3.837 0.052 11.484 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.147 0.147 13.341 1.00 0.00 C ATOM 1918 CG ARG A 119 -0.121 -0.918 12.987 1.00 0.00 C ATOM 1919 CD ARG A 119 0.610 -1.422 14.222 1.00 0.00 C ATOM 1920 NE ARG A 119 0.569 -2.878 14.324 1.00 0.00 N ATOM 1921 CZ ARG A 119 1.396 -3.591 15.087 1.00 0.00 C ATOM 1922 NH1 ARG A 119 2.326 -2.986 15.813 1.00 0.00 N ATOM 1923 NH2 ARG A 119 1.290 -4.912 15.122 1.00 0.00 N ATOM 0 H ARG A 119 -0.807 2.589 13.017 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.339 0.412 11.219 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.696 0.858 14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.980 -0.323 13.864 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.618 -1.752 12.491 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.599 -0.509 12.278 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.648 -1.090 14.190 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.162 -0.983 15.113 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.134 -3.378 13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.411 -1.970 15.789 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.957 -3.537 16.396 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.576 -5.381 14.565 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.923 -5.459 15.706 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.806 1.835 12.858 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.260 1.935 12.942 1.00 0.00 C ATOM 1939 C ILE A 120 -5.873 2.076 11.552 1.00 0.00 C ATOM 1940 O ILE A 120 -6.891 1.457 11.248 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.692 3.134 13.817 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.236 2.923 15.262 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.204 3.340 13.759 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.193 4.198 16.074 1.00 0.00 C ATOM 0 H ILE A 120 -3.303 2.539 13.398 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.622 1.017 13.404 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.216 4.032 13.424 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.908 2.215 15.747 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.245 2.470 15.259 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.480 4.190 14.384 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.506 3.533 12.730 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.707 2.444 14.122 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.861 3.973 17.088 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.499 4.900 15.613 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.188 4.641 16.108 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.245 2.892 10.714 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.730 3.110 9.358 1.00 0.00 C ATOM 1958 C ALA A 121 -5.691 1.819 8.546 1.00 0.00 C ATOM 1959 O ALA A 121 -6.639 1.496 7.833 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.909 4.191 8.672 1.00 0.00 C ATOM 0 H ALA A 121 -4.400 3.413 10.950 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.767 3.439 9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.282 4.344 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.991 5.122 9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.864 3.883 8.631 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.585 1.090 8.659 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.437 -0.155 7.926 1.00 0.00 C ATOM 1968 C GLY A 122 -5.266 -1.288 8.503 1.00 0.00 C ATOM 1969 O GLY A 122 -5.515 -2.286 7.828 1.00 0.00 O ATOM 0 H GLY A 122 -3.788 1.339 9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.725 0.006 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.387 -0.446 7.924 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.691 -1.140 9.754 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.491 -2.168 10.412 1.00 0.00 C ATOM 1975 C HIS A 123 -7.785 -2.430 9.645 1.00 0.00 C ATOM 1976 O HIS A 123 -8.192 -3.580 9.476 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.809 -1.756 11.850 1.00 0.00 C ATOM 1978 CG HIS A 123 -5.777 -2.200 12.842 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -5.061 -3.372 12.710 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -5.341 -1.621 13.986 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -4.229 -3.493 13.729 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -4.380 -2.445 14.517 1.00 0.00 N ATOM 0 H HIS A 123 -5.496 -0.322 10.331 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.909 -3.089 10.427 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.903 -0.671 11.896 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.776 -2.172 12.133 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.685 -0.686 14.403 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -3.542 -4.311 13.890 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -3.866 -2.275 15.381 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.427 -1.362 9.184 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.675 -1.486 8.435 1.00 0.00 C ATOM 1993 C LYS A 124 -9.418 -1.587 6.932 1.00 0.00 C ATOM 1994 O LYS A 124 -10.356 -1.573 6.135 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.599 -0.302 8.724 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.890 1.043 8.717 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.798 1.627 10.117 1.00 0.00 C ATOM 1998 CE LYS A 124 -9.632 3.136 10.079 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.549 3.723 11.446 1.00 0.00 N ATOM 0 H LYS A 124 -8.106 -0.403 9.315 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.160 -2.406 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.397 -0.286 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.070 -0.449 9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.888 0.926 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.425 1.735 8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -10.697 1.373 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.955 1.180 10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -8.730 3.388 9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.472 3.580 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.413 4.267 11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.452 2.960 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.723 4.353 11.504 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.150 -1.697 6.547 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.791 -1.807 5.137 1.00 0.00 C ATOM 2015 C LEU A 125 -7.895 -3.256 4.669 1.00 0.00 C ATOM 2016 O LEU A 125 -7.777 -4.184 5.470 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.369 -1.287 4.902 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.228 0.236 4.854 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.800 0.628 4.512 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.200 0.830 3.845 1.00 0.00 C ATOM 0 H LEU A 125 -7.357 -1.712 7.188 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.489 -1.199 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.725 -1.670 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.000 -1.699 3.963 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.468 0.635 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.718 1.715 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.123 0.234 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.533 0.217 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.086 1.914 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.990 0.424 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.221 0.578 4.132 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.123 -3.473 3.363 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.249 -4.810 2.793 1.00 0.00 C ATOM 2034 C PRO A 126 -6.906 -5.402 2.374 1.00 0.00 C ATOM 2035 O PRO A 126 -6.851 -6.312 1.546 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.125 -4.559 1.571 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.745 -3.190 1.111 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.287 -2.428 2.334 1.00 0.00 C ATOM 0 HA PRO A 126 -8.655 -5.529 3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.945 -5.302 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.184 -4.613 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -7.950 -3.239 0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.592 -2.692 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.352 -1.900 2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.020 -1.681 2.637 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.823 -4.881 2.944 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.486 -5.362 2.620 1.00 0.00 C ATOM 2048 C ILE A 127 -3.523 -5.148 3.782 1.00 0.00 C ATOM 2049 O ILE A 127 -3.829 -4.425 4.731 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.929 -4.659 1.368 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.141 -3.147 1.465 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.592 -5.211 0.116 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.236 -2.472 2.471 1.00 0.00 C ATOM 0 H ILE A 127 -5.846 -4.127 3.631 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.574 -6.430 2.422 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.858 -4.852 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.976 -2.702 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.179 -2.951 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.189 -4.706 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.395 -6.280 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.668 -5.043 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.442 -1.402 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.417 -2.890 3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.195 -2.637 2.192 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.357 -5.783 3.703 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.348 -5.664 4.750 1.00 0.00 C ATOM 2067 C LYS A 128 -0.592 -4.343 4.634 1.00 0.00 C ATOM 2068 O LYS A 128 -0.267 -3.897 3.533 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.370 -6.839 4.679 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.410 -7.738 5.903 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.119 -6.957 7.175 1.00 0.00 C ATOM 2072 CE LYS A 128 0.302 -7.878 8.310 1.00 0.00 C ATOM 2073 NZ LYS A 128 0.733 -7.113 9.513 1.00 0.00 N ATOM 0 H LYS A 128 -2.088 -6.385 2.925 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.856 -5.682 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.594 -7.434 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.642 -6.452 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.391 -8.208 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.320 -8.540 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.670 -6.229 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.006 -6.396 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.529 -8.532 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 128 1.118 -8.518 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.012 -7.776 10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.542 -6.507 9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.054 -6.521 9.848 1.00 0.00 H new ATOM 2087 N THR A 129 -0.313 -3.726 5.777 1.00 0.00 N ATOM 2088 CA THR A 129 0.405 -2.457 5.807 1.00 0.00 C ATOM 2089 C THR A 129 1.315 -2.376 7.030 1.00 0.00 C ATOM 2090 O THR A 129 1.022 -2.965 8.071 1.00 0.00 O ATOM 2091 CB THR A 129 -0.579 -1.288 5.822 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.189 -1.161 7.094 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.684 -1.420 4.796 1.00 0.00 C ATOM 0 H THR A 129 -0.573 -4.084 6.696 1.00 0.00 H new ATOM 0 HA THR A 129 1.019 -2.398 4.908 1.00 0.00 H new ATOM 0 HB THR A 129 0.017 -0.408 5.579 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.802 -1.911 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.346 -0.557 4.861 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.249 -1.469 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.253 -2.329 4.989 1.00 0.00 H new ATOM 2101 N LYS A 130 2.415 -1.641 6.902 1.00 0.00 N ATOM 2102 CA LYS A 130 3.358 -1.486 8.006 1.00 0.00 C ATOM 2103 C LYS A 130 3.794 -0.030 8.150 1.00 0.00 C ATOM 2104 O LYS A 130 3.675 0.759 7.213 1.00 0.00 O ATOM 2105 CB LYS A 130 4.581 -2.382 7.796 1.00 0.00 C ATOM 2106 CG LYS A 130 5.162 -2.302 6.394 1.00 0.00 C ATOM 2107 CD LYS A 130 6.682 -2.302 6.420 1.00 0.00 C ATOM 2108 CE LYS A 130 7.261 -1.792 5.110 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.702 -2.137 4.967 1.00 0.00 N ATOM 0 H LYS A 130 2.675 -1.145 6.050 1.00 0.00 H new ATOM 0 HA LYS A 130 2.854 -1.787 8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.351 -2.105 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.304 -3.415 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.807 -3.147 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.805 -1.397 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.033 -1.678 7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.044 -3.312 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.702 -2.217 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.140 -0.710 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.058 -1.771 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.240 -1.711 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.816 -3.170 4.992 1.00 0.00 H new ATOM 2123 N ILE A 131 4.301 0.318 9.329 1.00 0.00 N ATOM 2124 CA ILE A 131 4.756 1.680 9.595 1.00 0.00 C ATOM 2125 C ILE A 131 6.195 1.871 9.129 1.00 0.00 C ATOM 2126 O ILE A 131 7.052 1.022 9.373 1.00 0.00 O ATOM 2127 CB ILE A 131 4.676 2.037 11.096 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.503 1.322 11.773 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.556 3.545 11.274 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.157 1.663 11.175 1.00 0.00 C ATOM 0 H ILE A 131 4.407 -0.323 10.115 1.00 0.00 H new ATOM 0 HA ILE A 131 4.090 2.341 9.040 1.00 0.00 H new ATOM 0 HB ILE A 131 5.595 1.698 11.574 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.658 0.245 11.706 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.495 1.578 12.832 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.500 3.783 12.336 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.427 4.033 10.838 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.654 3.900 10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.375 1.120 11.705 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.980 2.735 11.266 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.145 1.381 10.122 1.00 0.00 H new ATOM 2142 N VAL A 132 6.460 2.989 8.459 1.00 0.00 N ATOM 2143 CA VAL A 132 7.802 3.278 7.970 1.00 0.00 C ATOM 2144 C VAL A 132 8.165 4.748 8.162 1.00 0.00 C ATOM 2145 O VAL A 132 7.339 5.639 7.963 1.00 0.00 O ATOM 2146 CB VAL A 132 7.953 2.902 6.483 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.649 1.429 6.275 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.052 3.763 5.614 1.00 0.00 C ATOM 0 H VAL A 132 5.767 3.705 8.244 1.00 0.00 H new ATOM 0 HA VAL A 132 8.487 2.668 8.559 1.00 0.00 H new ATOM 0 HB VAL A 132 8.986 3.087 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.760 1.180 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.341 0.828 6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.627 1.220 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.176 3.480 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.013 3.616 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.320 4.812 5.740 1.00 0.00 H new ATOM 2158 N ARG A 133 9.412 4.986 8.554 1.00 0.00 N ATOM 2159 CA ARG A 133 9.915 6.338 8.784 1.00 0.00 C ATOM 2160 C ARG A 133 10.528 6.921 7.524 1.00 0.00 C ATOM 2161 O ARG A 133 10.811 6.201 6.568 1.00 0.00 O ATOM 2162 CB ARG A 133 10.974 6.339 9.877 1.00 0.00 C ATOM 2163 CG ARG A 133 10.752 7.397 10.946 1.00 0.00 C ATOM 2164 CD ARG A 133 11.363 6.987 12.277 1.00 0.00 C ATOM 2165 NE ARG A 133 12.401 7.919 12.711 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.154 9.148 13.158 1.00 0.00 C ATOM 2167 NH1 ARG A 133 10.907 9.596 13.234 1.00 0.00 N ATOM 2168 NH2 ARG A 133 13.157 9.932 13.530 1.00 0.00 N ATOM 0 H ARG A 133 10.101 4.252 8.721 1.00 0.00 H new ATOM 0 HA ARG A 133 9.064 6.947 9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.996 5.357 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.952 6.495 9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.189 8.341 10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.683 7.567 11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.581 6.936 13.035 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.787 5.987 12.189 1.00 0.00 H new ATOM 0 HE ARG A 133 13.372 7.610 12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 133 10.132 8.997 12.949 1.00 0.00 H new ATOM 0 HH12 ARG A 133 10.724 10.539 13.577 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.117 9.593 13.473 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.968 10.874 13.873 1.00 0.00 H new