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 110 THR OG1 : rot 180:sc= -0.693 USER MOD Set 1.2: A 113 GLN : amide:sc= -0.448 K(o=-1.1,f=-2.9!) USER MOD Single : A 32 TYR OH : rot -32:sc= -0.287 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0915 USER MOD Single : A 45 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.17) USER MOD Single : A 46 GLN : amide:sc= -2.46 K(o=-2.5,f=-4.8!) USER MOD Single : A 54 MET CE :methyl -118:sc= -8.46! (180deg=-11.4!) USER MOD Single : A 57 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-5!) 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 -143:sc= -4.77! (180deg=-7.72!) USER MOD Single : A 115 MET CE :methyl -179:sc= -0.0357 (180deg=-0.0363) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 154:sc= -0.115 (180deg=-0.571) USER MOD Single : A 129 THR OG1 : rot -66:sc= -0.608 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.078 12.370 9.060 1.00 0.00 N ATOM 508 CA ASP A 31 8.237 11.622 9.536 1.00 0.00 C ATOM 509 C ASP A 31 8.005 10.120 9.404 1.00 0.00 C ATOM 510 O ASP A 31 8.949 9.347 9.257 1.00 0.00 O ATOM 511 CB ASP A 31 8.539 11.979 10.992 1.00 0.00 C ATOM 512 CG ASP A 31 9.275 13.297 11.125 1.00 0.00 C ATOM 513 OD1 ASP A 31 8.995 14.216 10.326 1.00 0.00 O ATOM 514 OD2 ASP A 31 10.130 13.411 12.027 1.00 0.00 O ATOM 0 HA ASP A 31 9.093 11.895 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.605 12.030 11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.137 11.186 11.441 1.00 0.00 H new ATOM 519 N TYR A 32 6.740 9.716 9.457 1.00 0.00 N ATOM 520 CA TYR A 32 6.378 8.309 9.338 1.00 0.00 C ATOM 521 C TYR A 32 5.523 8.086 8.097 1.00 0.00 C ATOM 522 O TYR A 32 5.066 9.042 7.472 1.00 0.00 O ATOM 523 CB TYR A 32 5.622 7.847 10.583 1.00 0.00 C ATOM 524 CG TYR A 32 6.524 7.434 11.723 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.504 6.463 11.545 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.391 8.010 12.978 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.324 6.080 12.588 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.207 7.631 14.027 1.00 0.00 C ATOM 529 CZ TYR A 32 8.171 6.666 13.827 1.00 0.00 C ATOM 530 OH TYR A 32 8.986 6.286 14.869 1.00 0.00 O ATOM 0 H TYR A 32 5.947 10.345 9.582 1.00 0.00 H new ATOM 0 HA TYR A 32 7.293 7.724 9.245 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.970 8.652 10.921 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.980 7.007 10.317 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.625 6.002 10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.637 8.767 13.138 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.081 5.325 12.434 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.090 8.088 14.998 1.00 0.00 H new ATOM 0 HH TYR A 32 9.225 5.341 14.770 1.00 0.00 H new ATOM 540 N GLY A 33 5.311 6.824 7.740 1.00 0.00 N ATOM 541 CA GLY A 33 4.512 6.524 6.569 1.00 0.00 C ATOM 542 C GLY A 33 3.874 5.150 6.617 1.00 0.00 C ATOM 543 O GLY A 33 4.500 4.178 7.037 1.00 0.00 O ATOM 0 H GLY A 33 5.675 6.011 8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.730 7.277 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.140 6.595 5.681 1.00 0.00 H new ATOM 547 N LEU A 34 2.626 5.074 6.169 1.00 0.00 N ATOM 548 CA LEU A 34 1.894 3.815 6.141 1.00 0.00 C ATOM 549 C LEU A 34 1.898 3.250 4.727 1.00 0.00 C ATOM 550 O LEU A 34 1.181 3.737 3.852 1.00 0.00 O ATOM 551 CB LEU A 34 0.456 4.024 6.624 1.00 0.00 C ATOM 552 CG LEU A 34 -0.286 2.763 7.079 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.899 2.050 5.885 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.642 1.826 7.846 1.00 0.00 C ATOM 0 H LEU A 34 2.099 5.874 5.819 1.00 0.00 H new ATOM 0 HA LEU A 34 2.382 3.106 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.471 4.733 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.114 4.487 5.818 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.087 3.066 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.423 1.156 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.603 2.716 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.111 1.766 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.089 0.940 8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.471 1.529 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.030 2.338 8.726 1.00 0.00 H new ATOM 566 N VAL A 35 2.722 2.235 4.500 1.00 0.00 N ATOM 567 CA VAL A 35 2.831 1.627 3.182 1.00 0.00 C ATOM 568 C VAL A 35 1.938 0.399 3.044 1.00 0.00 C ATOM 569 O VAL A 35 1.772 -0.377 3.984 1.00 0.00 O ATOM 570 CB VAL A 35 4.289 1.231 2.859 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.923 0.490 4.025 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.354 0.388 1.592 1.00 0.00 C ATOM 0 H VAL A 35 3.323 1.817 5.210 1.00 0.00 H new ATOM 0 HA VAL A 35 2.499 2.383 2.471 1.00 0.00 H new ATOM 0 HB VAL A 35 4.854 2.148 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.949 0.223 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.922 1.131 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.353 -0.415 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.390 0.121 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.766 -0.520 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.952 0.958 0.755 1.00 0.00 H new ATOM 582 N ALA A 36 1.382 0.229 1.850 1.00 0.00 N ATOM 583 CA ALA A 36 0.522 -0.904 1.554 1.00 0.00 C ATOM 584 C ALA A 36 1.322 -2.012 0.882 1.00 0.00 C ATOM 585 O ALA A 36 1.669 -1.909 -0.294 1.00 0.00 O ATOM 586 CB ALA A 36 -0.635 -0.470 0.666 1.00 0.00 C ATOM 0 H ALA A 36 1.515 0.869 1.067 1.00 0.00 H new ATOM 0 HA ALA A 36 0.115 -1.288 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.271 -1.329 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.219 0.296 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.245 -0.066 -0.268 1.00 0.00 H new ATOM 592 N LEU A 37 1.622 -3.062 1.640 1.00 0.00 N ATOM 593 CA LEU A 37 2.394 -4.191 1.128 1.00 0.00 C ATOM 594 C LEU A 37 1.568 -5.061 0.180 1.00 0.00 C ATOM 595 O LEU A 37 2.084 -6.014 -0.405 1.00 0.00 O ATOM 596 CB LEU A 37 2.905 -5.043 2.291 1.00 0.00 C ATOM 597 CG LEU A 37 3.535 -4.256 3.440 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.495 -5.066 4.726 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.963 -3.865 3.091 1.00 0.00 C ATOM 0 H LEU A 37 1.341 -3.155 2.616 1.00 0.00 H new ATOM 0 HA LEU A 37 3.236 -3.787 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.075 -5.629 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.641 -5.750 1.908 1.00 0.00 H new ATOM 0 HG LEU A 37 2.958 -3.344 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.948 -4.490 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.460 -5.295 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.049 -5.995 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.399 -3.305 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.552 -4.764 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.962 -3.245 2.194 1.00 0.00 H new ATOM 611 N GLU A 38 0.286 -4.739 0.034 1.00 0.00 N ATOM 612 CA GLU A 38 -0.598 -5.502 -0.839 1.00 0.00 C ATOM 613 C GLU A 38 -1.533 -4.570 -1.608 1.00 0.00 C ATOM 614 O GLU A 38 -2.011 -3.576 -1.063 1.00 0.00 O ATOM 615 CB GLU A 38 -1.412 -6.506 -0.016 1.00 0.00 C ATOM 616 CG GLU A 38 -2.072 -7.591 -0.849 1.00 0.00 C ATOM 617 CD GLU A 38 -2.894 -8.549 -0.010 1.00 0.00 C ATOM 618 OE1 GLU A 38 -2.380 -9.021 1.026 1.00 0.00 O ATOM 619 OE2 GLU A 38 -4.050 -8.830 -0.389 1.00 0.00 O ATOM 0 H GLU A 38 -0.163 -3.956 0.509 1.00 0.00 H new ATOM 0 HA GLU A 38 0.013 -6.046 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.758 -6.974 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.181 -5.968 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.713 -7.129 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.305 -8.150 -1.386 1.00 0.00 H new ATOM 626 N PRO A 39 -1.803 -4.872 -2.891 1.00 0.00 N ATOM 627 CA PRO A 39 -2.682 -4.043 -3.722 1.00 0.00 C ATOM 628 C PRO A 39 -4.141 -4.130 -3.295 1.00 0.00 C ATOM 629 O PRO A 39 -4.659 -5.214 -3.030 1.00 0.00 O ATOM 630 CB PRO A 39 -2.498 -4.623 -5.125 1.00 0.00 C ATOM 631 CG PRO A 39 -2.087 -6.036 -4.900 1.00 0.00 C ATOM 632 CD PRO A 39 -1.276 -6.034 -3.634 1.00 0.00 C ATOM 0 HA PRO A 39 -2.430 -2.985 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.422 -4.566 -5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.740 -4.074 -5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.957 -6.685 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.500 -6.410 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.403 -6.960 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.211 -5.930 -3.840 1.00 0.00 H new ATOM 640 N ALA A 40 -4.802 -2.978 -3.231 1.00 0.00 N ATOM 641 CA ALA A 40 -6.204 -2.921 -2.838 1.00 0.00 C ATOM 642 C ALA A 40 -6.847 -1.612 -3.280 1.00 0.00 C ATOM 643 O ALA A 40 -6.167 -0.697 -3.743 1.00 0.00 O ATOM 644 CB ALA A 40 -6.336 -3.093 -1.332 1.00 0.00 C ATOM 0 H ALA A 40 -4.388 -2.071 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.728 -3.738 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.388 -3.048 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.923 -4.058 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.792 -2.296 -0.826 1.00 0.00 H new ATOM 650 N TRP A 41 -8.165 -1.529 -3.128 1.00 0.00 N ATOM 651 CA TRP A 41 -8.905 -0.331 -3.504 1.00 0.00 C ATOM 652 C TRP A 41 -9.334 0.444 -2.263 1.00 0.00 C ATOM 653 O TRP A 41 -10.260 0.042 -1.558 1.00 0.00 O ATOM 654 CB TRP A 41 -10.133 -0.704 -4.338 1.00 0.00 C ATOM 655 CG TRP A 41 -9.788 -1.282 -5.676 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.713 -0.961 -6.455 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.520 -2.280 -6.394 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.733 -1.698 -7.613 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.832 -2.516 -7.599 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.691 -2.999 -6.135 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.277 -3.440 -8.542 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -12.131 -3.915 -7.072 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.425 -4.129 -8.261 1.00 0.00 C ATOM 0 H TRP A 41 -8.742 -2.278 -2.747 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.251 0.302 -4.103 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.735 -1.424 -3.783 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.749 0.184 -4.481 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.957 -0.233 -6.198 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.042 -1.645 -8.362 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.242 -2.841 -5.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.735 -3.606 -9.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.035 -4.475 -6.883 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.794 -4.853 -8.972 1.00 0.00 H new ATOM 674 N ILE A 42 -8.652 1.553 -1.997 1.00 0.00 N ATOM 675 CA ILE A 42 -8.962 2.377 -0.836 1.00 0.00 C ATOM 676 C ILE A 42 -10.113 3.333 -1.130 1.00 0.00 C ATOM 677 O ILE A 42 -10.011 4.194 -2.002 1.00 0.00 O ATOM 678 CB ILE A 42 -7.736 3.193 -0.381 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.491 2.306 -0.342 1.00 0.00 C ATOM 680 CG2 ILE A 42 -7.991 3.812 0.985 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.574 1.199 0.686 1.00 0.00 C ATOM 0 H ILE A 42 -7.882 1.901 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.254 1.696 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.566 3.996 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.336 1.866 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.619 2.925 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.117 4.385 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.857 4.472 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.182 3.023 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.658 0.609 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.698 1.633 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.426 0.557 0.462 1.00 0.00 H new ATOM 693 N THR A 43 -11.208 3.171 -0.393 1.00 0.00 N ATOM 694 CA THR A 43 -12.382 4.017 -0.571 1.00 0.00 C ATOM 695 C THR A 43 -12.188 5.369 0.102 1.00 0.00 C ATOM 696 O THR A 43 -11.233 5.571 0.850 1.00 0.00 O ATOM 697 CB THR A 43 -13.622 3.329 0.002 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.274 2.484 1.086 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.365 2.493 -1.017 1.00 0.00 C ATOM 0 H THR A 43 -11.306 2.461 0.333 1.00 0.00 H new ATOM 0 HA THR A 43 -12.521 4.179 -1.640 1.00 0.00 H new ATOM 0 HB THR A 43 -14.276 4.137 0.330 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.081 2.055 1.439 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.234 2.033 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.692 3.128 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.705 1.715 -1.400 1.00 0.00 H new ATOM 707 N ALA A 44 -13.106 6.289 -0.171 1.00 0.00 N ATOM 708 CA ALA A 44 -13.043 7.624 0.408 1.00 0.00 C ATOM 709 C ALA A 44 -13.052 7.560 1.930 1.00 0.00 C ATOM 710 O ALA A 44 -12.296 8.269 2.595 1.00 0.00 O ATOM 711 CB ALA A 44 -14.202 8.469 -0.098 1.00 0.00 C ATOM 0 H ALA A 44 -13.902 6.134 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.107 8.089 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.145 9.465 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.148 8.548 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.145 8.001 0.186 1.00 0.00 H new ATOM 717 N GLN A 45 -13.913 6.708 2.480 1.00 0.00 N ATOM 718 CA GLN A 45 -14.033 6.548 3.898 1.00 0.00 C ATOM 719 C GLN A 45 -12.716 6.134 4.540 1.00 0.00 C ATOM 720 O GLN A 45 -12.370 6.608 5.611 1.00 0.00 O ATOM 721 CB GLN A 45 -15.096 5.499 4.151 1.00 0.00 C ATOM 722 CG GLN A 45 -16.294 6.036 4.887 1.00 0.00 C ATOM 723 CD GLN A 45 -16.428 5.475 6.290 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.651 6.215 7.248 1.00 0.00 O ATOM 725 NE2 GLN A 45 -16.293 4.160 6.416 1.00 0.00 N ATOM 0 H GLN A 45 -14.542 6.114 1.940 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.309 7.502 4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.420 5.082 3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.661 4.681 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.223 7.122 4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.196 5.803 4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.109 3.585 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.374 3.725 7.335 1.00 0.00 H new ATOM 734 N GLN A 46 -11.983 5.246 3.888 1.00 0.00 N ATOM 735 CA GLN A 46 -10.718 4.778 4.425 1.00 0.00 C ATOM 736 C GLN A 46 -9.752 5.939 4.636 1.00 0.00 C ATOM 737 O GLN A 46 -8.963 5.939 5.582 1.00 0.00 O ATOM 738 CB GLN A 46 -10.102 3.745 3.483 1.00 0.00 C ATOM 739 CG GLN A 46 -10.992 2.537 3.239 1.00 0.00 C ATOM 740 CD GLN A 46 -10.665 1.376 4.157 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.410 1.564 5.347 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.670 0.167 3.607 1.00 0.00 N ATOM 0 H GLN A 46 -12.242 4.837 2.990 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.907 4.313 5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.882 4.222 2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.152 3.408 3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.034 2.824 3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.887 2.216 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.887 0.058 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.457 -0.653 4.175 1.00 0.00 H new ATOM 751 N ILE A 47 -9.818 6.928 3.753 1.00 0.00 N ATOM 752 CA ILE A 47 -8.948 8.093 3.849 1.00 0.00 C ATOM 753 C ILE A 47 -9.341 8.994 5.018 1.00 0.00 C ATOM 754 O ILE A 47 -8.494 9.387 5.820 1.00 0.00 O ATOM 755 CB ILE A 47 -8.966 8.918 2.547 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.722 8.012 1.337 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.922 10.022 2.605 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.184 8.613 0.028 1.00 0.00 C ATOM 0 H ILE A 47 -10.464 6.946 2.964 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.940 7.714 4.018 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.949 9.377 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.657 7.789 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.237 7.064 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.947 10.596 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.136 10.682 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.933 9.581 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.979 7.916 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.255 8.810 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.651 9.547 -0.152 1.00 0.00 H new ATOM 770 N GLU A 48 -10.626 9.328 5.106 1.00 0.00 N ATOM 771 CA GLU A 48 -11.119 10.195 6.176 1.00 0.00 C ATOM 772 C GLU A 48 -11.391 9.407 7.456 1.00 0.00 C ATOM 773 O GLU A 48 -11.002 9.824 8.546 1.00 0.00 O ATOM 774 CB GLU A 48 -12.394 10.913 5.730 1.00 0.00 C ATOM 775 CG GLU A 48 -12.690 12.174 6.525 1.00 0.00 C ATOM 776 CD GLU A 48 -13.081 13.343 5.641 1.00 0.00 C ATOM 777 OE1 GLU A 48 -12.263 13.739 4.785 1.00 0.00 O ATOM 778 OE2 GLU A 48 -14.205 13.861 5.806 1.00 0.00 O ATOM 0 H GLU A 48 -11.343 9.014 4.453 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.343 10.930 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.306 11.171 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.238 10.229 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.495 11.973 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.811 12.444 7.111 1.00 0.00 H new ATOM 785 N ALA A 49 -12.068 8.272 7.317 1.00 0.00 N ATOM 786 CA ALA A 49 -12.401 7.427 8.462 1.00 0.00 C ATOM 787 C ALA A 49 -11.157 7.080 9.273 1.00 0.00 C ATOM 788 O ALA A 49 -11.153 7.191 10.499 1.00 0.00 O ATOM 789 CB ALA A 49 -13.106 6.155 8.002 1.00 0.00 C ATOM 0 H ALA A 49 -12.398 7.914 6.421 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.077 7.989 9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.346 5.538 8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.025 6.418 7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.452 5.599 7.331 1.00 0.00 H new ATOM 795 N ALA A 50 -10.102 6.663 8.582 1.00 0.00 N ATOM 796 CA ALA A 50 -8.852 6.305 9.240 1.00 0.00 C ATOM 797 C ALA A 50 -8.186 7.531 9.853 1.00 0.00 C ATOM 798 O ALA A 50 -7.658 7.473 10.964 1.00 0.00 O ATOM 799 CB ALA A 50 -7.911 5.628 8.255 1.00 0.00 C ATOM 0 H ALA A 50 -10.088 6.565 7.567 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.080 5.606 10.045 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.982 5.366 8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.380 4.724 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.696 6.308 7.431 1.00 0.00 H new ATOM 805 N ARG A 51 -8.215 8.642 9.123 1.00 0.00 N ATOM 806 CA ARG A 51 -7.615 9.884 9.599 1.00 0.00 C ATOM 807 C ARG A 51 -8.259 10.328 10.908 1.00 0.00 C ATOM 808 O ARG A 51 -7.570 10.731 11.845 1.00 0.00 O ATOM 809 CB ARG A 51 -7.757 10.982 8.541 1.00 0.00 C ATOM 810 CG ARG A 51 -6.425 11.513 8.036 1.00 0.00 C ATOM 811 CD ARG A 51 -6.582 12.872 7.374 1.00 0.00 C ATOM 812 NE ARG A 51 -7.241 12.775 6.074 1.00 0.00 N ATOM 813 CZ ARG A 51 -7.190 13.728 5.146 1.00 0.00 C ATOM 814 NH1 ARG A 51 -6.514 14.847 5.369 1.00 0.00 N ATOM 815 NH2 ARG A 51 -7.818 13.558 3.990 1.00 0.00 N ATOM 0 H ARG A 51 -8.647 8.708 8.201 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.555 9.704 9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.327 10.592 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.333 11.807 8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.724 11.591 8.867 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.997 10.807 7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.160 13.528 8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.601 13.330 7.250 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.771 11.929 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.029 14.982 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.479 15.573 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.338 12.699 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.781 14.287 3.277 1.00 0.00 H new ATOM 829 N VAL A 52 -9.585 10.249 10.966 1.00 0.00 N ATOM 830 CA VAL A 52 -10.323 10.640 12.162 1.00 0.00 C ATOM 831 C VAL A 52 -9.862 9.836 13.373 1.00 0.00 C ATOM 832 O VAL A 52 -9.679 10.383 14.462 1.00 0.00 O ATOM 833 CB VAL A 52 -11.840 10.446 11.975 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.600 10.976 13.182 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.313 11.123 10.696 1.00 0.00 C ATOM 0 H VAL A 52 -10.170 9.918 10.199 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.121 11.698 12.331 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.043 9.379 11.888 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.670 10.830 13.031 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.283 10.439 14.076 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.393 12.039 13.305 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.387 10.975 10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.097 12.190 10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.794 10.689 9.841 1.00 0.00 H new ATOM 845 N ALA A 53 -9.675 8.535 13.176 1.00 0.00 N ATOM 846 CA ALA A 53 -9.234 7.654 14.248 1.00 0.00 C ATOM 847 C ALA A 53 -7.800 7.971 14.658 1.00 0.00 C ATOM 848 O ALA A 53 -7.452 7.917 15.839 1.00 0.00 O ATOM 849 CB ALA A 53 -9.353 6.200 13.815 1.00 0.00 C ATOM 0 H ALA A 53 -9.823 8.068 12.281 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.877 7.818 15.113 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.020 5.551 14.625 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.392 5.976 13.574 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.732 6.030 12.936 1.00 0.00 H new ATOM 855 N MET A 54 -6.971 8.298 13.673 1.00 0.00 N ATOM 856 CA MET A 54 -5.572 8.621 13.922 1.00 0.00 C ATOM 857 C MET A 54 -5.432 9.971 14.621 1.00 0.00 C ATOM 858 O MET A 54 -4.712 10.095 15.610 1.00 0.00 O ATOM 859 CB MET A 54 -4.792 8.632 12.608 1.00 0.00 C ATOM 860 CG MET A 54 -4.622 7.253 11.994 1.00 0.00 C ATOM 861 SD MET A 54 -3.360 7.217 10.707 1.00 0.00 S ATOM 862 CE MET A 54 -4.306 7.776 9.293 1.00 0.00 C ATOM 0 H MET A 54 -7.245 8.346 12.692 1.00 0.00 H new ATOM 0 HA MET A 54 -5.162 7.854 14.578 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.305 9.278 11.895 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.808 9.068 12.782 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.358 6.541 12.776 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.573 6.927 11.574 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.326 6.992 8.536 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.325 8.006 9.605 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.843 8.671 8.877 1.00 0.00 H new ATOM 872 N VAL A 55 -6.122 10.980 14.097 1.00 0.00 N ATOM 873 CA VAL A 55 -6.068 12.321 14.669 1.00 0.00 C ATOM 874 C VAL A 55 -6.478 12.311 16.138 1.00 0.00 C ATOM 875 O VAL A 55 -5.906 13.031 16.957 1.00 0.00 O ATOM 876 CB VAL A 55 -6.978 13.297 13.898 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.825 14.712 14.435 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.672 13.250 12.406 1.00 0.00 C ATOM 0 H VAL A 55 -6.724 10.894 13.278 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.035 12.658 14.587 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.013 12.988 14.044 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.476 15.385 13.877 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.100 14.733 15.490 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.789 15.033 14.324 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.325 13.946 11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.632 13.530 12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.840 12.240 12.032 1.00 0.00 H new ATOM 888 N ARG A 56 -7.470 11.491 16.465 1.00 0.00 N ATOM 889 CA ARG A 56 -7.956 11.387 17.833 1.00 0.00 C ATOM 890 C ARG A 56 -6.982 10.594 18.701 1.00 0.00 C ATOM 891 O ARG A 56 -6.888 10.817 19.908 1.00 0.00 O ATOM 892 CB ARG A 56 -9.335 10.726 17.855 1.00 0.00 C ATOM 893 CG ARG A 56 -10.477 11.697 17.606 1.00 0.00 C ATOM 894 CD ARG A 56 -11.796 10.969 17.403 1.00 0.00 C ATOM 895 NE ARG A 56 -12.907 11.898 17.212 1.00 0.00 N ATOM 896 CZ ARG A 56 -14.187 11.568 17.377 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.521 10.335 17.736 1.00 0.00 N ATOM 898 NH2 ARG A 56 -15.135 12.476 17.184 1.00 0.00 N ATOM 0 H ARG A 56 -7.953 10.888 15.799 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.036 12.394 18.242 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.365 9.941 17.099 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.483 10.244 18.821 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.564 12.381 18.450 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.256 12.302 16.727 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.719 10.312 16.536 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.997 10.335 18.266 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.690 12.856 16.936 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.796 9.634 17.887 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.503 10.088 17.861 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.883 13.426 16.910 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.115 12.224 17.310 1.00 0.00 H new ATOM 912 N HIS A 57 -6.261 9.666 18.079 1.00 0.00 N ATOM 913 CA HIS A 57 -5.296 8.840 18.796 1.00 0.00 C ATOM 914 C HIS A 57 -4.192 9.692 19.413 1.00 0.00 C ATOM 915 O HIS A 57 -3.913 9.592 20.608 1.00 0.00 O ATOM 916 CB HIS A 57 -4.687 7.798 17.857 1.00 0.00 C ATOM 917 CG HIS A 57 -4.018 6.667 18.574 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.688 5.819 19.430 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.731 6.245 18.559 1.00 0.00 C ATOM 920 CE1 HIS A 57 -3.842 4.924 19.912 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.649 5.161 19.399 1.00 0.00 N ATOM 0 H HIS A 57 -6.327 9.467 17.081 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.825 8.330 19.601 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.471 7.397 17.214 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.961 8.286 17.207 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.921 6.680 17.993 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.086 4.134 20.607 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.803 4.626 19.595 1.00 0.00 H new ATOM 930 N PHE A 58 -3.563 10.529 18.592 1.00 0.00 N ATOM 931 CA PHE A 58 -2.486 11.395 19.062 1.00 0.00 C ATOM 932 C PHE A 58 -2.958 12.273 20.218 1.00 0.00 C ATOM 933 O PHE A 58 -3.786 13.165 20.034 1.00 0.00 O ATOM 934 CB PHE A 58 -1.965 12.273 17.921 1.00 0.00 C ATOM 935 CG PHE A 58 -1.796 11.539 16.620 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.830 10.555 16.482 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.606 11.836 15.535 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.675 9.882 15.286 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.455 11.165 14.337 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.488 10.185 14.212 1.00 0.00 C ATOM 0 H PHE A 58 -3.780 10.626 17.600 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.676 10.758 19.417 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.653 13.105 17.772 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.006 12.701 18.213 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.192 10.312 17.319 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.363 12.600 15.627 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.083 9.118 15.191 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.092 11.406 13.499 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.369 9.658 13.277 1.00 0.00 H new ATOM 950 N ARG A 59 -2.423 12.015 21.406 1.00 0.00 N ATOM 951 CA ARG A 59 -2.790 12.781 22.592 1.00 0.00 C ATOM 952 C ARG A 59 -2.267 14.211 22.501 1.00 0.00 C ATOM 953 O ARG A 59 -2.906 15.148 22.980 1.00 0.00 O ATOM 954 CB ARG A 59 -2.242 12.106 23.850 1.00 0.00 C ATOM 955 CG ARG A 59 -2.950 10.807 24.200 1.00 0.00 C ATOM 956 CD ARG A 59 -2.161 10.000 25.218 1.00 0.00 C ATOM 957 NE ARG A 59 -1.761 10.809 26.367 1.00 0.00 N ATOM 958 CZ ARG A 59 -2.578 11.132 27.366 1.00 0.00 C ATOM 959 NH1 ARG A 59 -3.840 10.720 27.361 1.00 0.00 N ATOM 960 NH2 ARG A 59 -2.133 11.872 28.374 1.00 0.00 N ATOM 0 H ARG A 59 -1.734 11.282 21.574 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.878 12.814 22.649 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.180 11.905 23.711 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.329 12.795 24.690 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.941 11.027 24.597 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.093 10.214 23.296 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.764 9.159 25.559 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.274 9.584 24.741 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.799 11.146 26.405 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.188 10.152 26.588 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.461 10.971 28.130 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.165 12.193 28.383 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.759 12.120 29.140 1.00 0.00 H new ATOM 974 N ARG A 60 -1.101 14.371 21.885 1.00 0.00 N ATOM 975 CA ARG A 60 -0.492 15.686 21.732 1.00 0.00 C ATOM 976 C ARG A 60 -0.737 16.242 20.333 1.00 0.00 C ATOM 977 O ARG A 60 0.100 16.957 19.782 1.00 0.00 O ATOM 978 CB ARG A 60 1.012 15.609 22.006 1.00 0.00 C ATOM 979 CG ARG A 60 1.350 15.263 23.446 1.00 0.00 C ATOM 980 CD ARG A 60 2.598 14.399 23.533 1.00 0.00 C ATOM 981 NE ARG A 60 3.792 15.115 23.090 1.00 0.00 N ATOM 982 CZ ARG A 60 5.034 14.736 23.380 1.00 0.00 C ATOM 983 NH1 ARG A 60 5.251 13.650 24.113 1.00 0.00 N ATOM 984 NH2 ARG A 60 6.064 15.444 22.937 1.00 0.00 N ATOM 0 H ARG A 60 -0.559 13.606 21.484 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.954 16.358 22.455 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.455 14.862 21.348 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.468 16.566 21.754 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.500 16.180 24.016 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.510 14.738 23.902 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.736 14.065 24.561 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.464 13.506 22.923 1.00 0.00 H new ATOM 0 HE ARG A 60 3.666 15.955 22.525 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.463 13.101 24.457 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.206 13.365 24.332 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.904 16.279 22.374 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.016 15.153 23.159 1.00 0.00 H new ATOM 998 N GLY A 61 -1.890 15.908 19.763 1.00 0.00 N ATOM 999 CA GLY A 61 -2.226 16.383 18.433 1.00 0.00 C ATOM 1000 C GLY A 61 -1.317 15.804 17.366 1.00 0.00 C ATOM 1001 O GLY A 61 -0.327 15.142 17.676 1.00 0.00 O ATOM 0 H GLY A 61 -2.598 15.317 20.198 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.260 16.121 18.207 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.160 17.471 18.411 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.655 16.056 16.105 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.852 15.549 15.008 1.00 0.00 C ATOM 1007 C GLY A 62 -1.519 15.740 13.661 1.00 0.00 C ATOM 1008 O GLY A 62 -2.738 15.892 13.581 1.00 0.00 O ATOM 0 H GLY A 62 -2.470 16.602 15.824 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.114 16.054 15.006 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.657 14.488 15.165 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.719 15.731 12.600 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.237 15.904 11.248 1.00 0.00 C ATOM 1014 C LYS A 63 -0.854 14.722 10.365 1.00 0.00 C ATOM 1015 O LYS A 63 0.254 14.194 10.463 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.706 17.203 10.638 1.00 0.00 C ATOM 1017 CG LYS A 63 0.809 17.317 10.678 1.00 0.00 C ATOM 1018 CD LYS A 63 1.269 18.738 10.399 1.00 0.00 C ATOM 1019 CE LYS A 63 2.754 18.791 10.078 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.563 19.209 11.255 1.00 0.00 N ATOM 0 H LYS A 63 0.292 15.606 12.651 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.324 15.955 11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.040 17.272 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.140 18.049 11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.173 17.001 11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.245 16.641 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.701 19.148 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.061 19.366 11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.087 17.810 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.923 19.487 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.569 19.232 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.263 20.156 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.422 18.531 12.031 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.778 14.309 9.501 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.533 13.187 8.601 1.00 0.00 C ATOM 1036 C ILE A 64 -1.666 13.610 7.144 1.00 0.00 C ATOM 1037 O ILE A 64 -2.665 14.211 6.750 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.503 12.015 8.859 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.889 11.939 10.337 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.875 10.705 8.405 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.873 10.831 10.645 1.00 0.00 C ATOM 0 H ILE A 64 -2.701 14.734 9.406 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.514 12.856 8.800 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.411 12.189 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.988 11.791 10.933 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.320 12.893 10.642 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.568 9.885 8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.654 10.758 7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.952 10.533 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.103 10.834 11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.789 10.989 10.076 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.437 9.870 10.371 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.658 13.281 6.345 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.668 13.615 4.927 1.00 0.00 C ATOM 1055 C PHE A 65 -1.068 12.398 4.100 1.00 0.00 C ATOM 1056 O PHE A 65 -0.405 11.360 4.145 1.00 0.00 O ATOM 1057 CB PHE A 65 0.706 14.124 4.487 1.00 0.00 C ATOM 1058 CG PHE A 65 1.274 15.178 5.396 1.00 0.00 C ATOM 1059 CD1 PHE A 65 0.956 16.514 5.212 1.00 0.00 C ATOM 1060 CD2 PHE A 65 2.125 14.831 6.433 1.00 0.00 C ATOM 1061 CE1 PHE A 65 1.477 17.485 6.046 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.650 15.798 7.270 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.324 17.127 7.076 1.00 0.00 C ATOM 0 H PHE A 65 0.176 12.783 6.655 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.400 14.406 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.398 13.283 4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.629 14.529 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.294 16.800 4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.381 13.793 6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.222 18.523 5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.314 15.515 8.074 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.731 17.885 7.729 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.161 12.526 3.356 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.652 11.431 2.528 1.00 0.00 C ATOM 1075 C ILE A 66 -2.275 11.633 1.065 1.00 0.00 C ATOM 1076 O ILE A 66 -2.627 12.644 0.457 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.184 11.281 2.635 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.660 11.579 4.061 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.609 9.882 2.213 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.973 10.740 5.117 1.00 0.00 C ATOM 0 H ILE A 66 -2.723 13.376 3.309 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.180 10.522 2.901 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.648 12.003 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.490 12.633 4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.735 11.411 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.692 9.791 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.306 9.705 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.134 9.146 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.360 11.005 6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.164 9.684 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.899 10.925 5.087 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.559 10.663 0.506 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.135 10.731 -0.888 1.00 0.00 C ATOM 1094 C ARG A 67 -2.154 10.051 -1.797 1.00 0.00 C ATOM 1095 O ARG A 67 -2.322 10.436 -2.955 1.00 0.00 O ATOM 1096 CB ARG A 67 0.236 10.075 -1.058 1.00 0.00 C ATOM 1097 CG ARG A 67 1.299 10.635 -0.124 1.00 0.00 C ATOM 1098 CD ARG A 67 2.409 11.331 -0.894 1.00 0.00 C ATOM 1099 NE ARG A 67 3.117 10.414 -1.785 1.00 0.00 N ATOM 1100 CZ ARG A 67 4.321 10.657 -2.296 1.00 0.00 C ATOM 1101 NH1 ARG A 67 4.956 11.787 -2.008 1.00 0.00 N ATOM 1102 NH2 ARG A 67 4.893 9.769 -3.097 1.00 0.00 N ATOM 0 H ARG A 67 -1.260 9.820 0.997 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.064 11.781 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.141 9.003 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.566 10.204 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.840 11.339 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.721 9.827 0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.987 12.150 -1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.116 11.772 -0.191 1.00 0.00 H new ATOM 0 HE ARG A 67 2.661 9.535 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.521 12.474 -1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.879 11.968 -2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.410 8.899 -3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.816 9.956 -3.489 1.00 0.00 H new ATOM 1116 N ILE A 68 -2.830 9.037 -1.267 1.00 0.00 N ATOM 1117 CA ILE A 68 -3.832 8.303 -2.030 1.00 0.00 C ATOM 1118 C ILE A 68 -5.106 9.123 -2.199 1.00 0.00 C ATOM 1119 O ILE A 68 -5.553 9.793 -1.267 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.182 6.963 -1.355 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -4.763 7.205 0.040 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -2.954 6.067 -1.278 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.311 5.954 0.689 1.00 0.00 C ATOM 0 H ILE A 68 -2.702 8.705 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.399 8.105 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.936 6.457 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.988 7.627 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.558 7.947 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.220 5.125 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.584 5.870 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.177 6.563 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.706 6.199 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.108 5.542 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.514 5.218 0.791 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.689 9.065 -3.392 1.00 0.00 N ATOM 1136 CA PHE A 69 -6.912 9.799 -3.680 1.00 0.00 C ATOM 1137 C PHE A 69 -7.861 8.957 -4.534 1.00 0.00 C ATOM 1138 O PHE A 69 -7.432 8.307 -5.487 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.584 11.110 -4.399 1.00 0.00 C ATOM 1140 CG PHE A 69 -6.783 12.329 -3.543 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -8.051 12.848 -3.338 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -5.702 12.954 -2.945 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -8.237 13.969 -2.551 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -5.881 14.076 -2.157 1.00 0.00 C ATOM 1145 CZ PHE A 69 -7.150 14.584 -1.960 1.00 0.00 C ATOM 0 H PHE A 69 -5.332 8.516 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.406 10.025 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.549 11.080 -4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.209 11.194 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.904 12.371 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.708 12.561 -3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.231 14.364 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.029 14.554 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.292 15.460 -1.345 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.166 8.954 -4.206 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.163 8.182 -4.955 1.00 0.00 C ATOM 1157 C PRO A 70 -10.297 8.659 -6.398 1.00 0.00 C ATOM 1158 O PRO A 70 -10.894 9.702 -6.665 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.473 8.427 -4.190 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.059 8.958 -2.860 1.00 0.00 C ATOM 1161 CD PRO A 70 -9.774 9.696 -3.091 1.00 0.00 C ATOM 0 HA PRO A 70 -9.888 7.129 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.109 9.138 -4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.045 7.505 -4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.821 9.621 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.921 8.149 -2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.949 10.741 -3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.138 9.688 -2.206 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.464 4.729 -5.446 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.365 4.128 -4.698 1.00 0.00 C ATOM 1541 C VAL A 94 -10.019 4.478 -5.322 1.00 0.00 C ATOM 1542 O VAL A 94 -9.953 4.948 -6.458 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.499 2.595 -4.627 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.531 2.194 -3.587 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.857 2.025 -5.992 1.00 0.00 C ATOM 0 HA VAL A 94 -11.414 4.536 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.537 2.180 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.610 1.107 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.226 2.566 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.499 2.620 -3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.947 0.941 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.805 2.447 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.075 2.278 -6.708 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.948 4.243 -4.572 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.601 4.530 -5.051 1.00 0.00 C ATOM 1557 C ALA A 95 -6.768 3.254 -5.136 1.00 0.00 C ATOM 1558 O ALA A 95 -6.313 2.730 -4.119 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.923 5.545 -4.143 1.00 0.00 C ATOM 0 H ALA A 95 -8.987 3.854 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.679 4.951 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.918 5.750 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.502 6.469 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.863 5.145 -3.131 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.574 2.758 -6.355 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.798 1.541 -6.568 1.00 0.00 C ATOM 1567 C VAL A 96 -4.372 1.704 -6.056 1.00 0.00 C ATOM 1568 O VAL A 96 -3.691 2.677 -6.381 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.754 1.147 -8.057 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.246 -0.277 -8.216 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -7.127 1.302 -8.696 1.00 0.00 C ATOM 0 H VAL A 96 -6.943 3.179 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.297 0.750 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.064 1.818 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.221 -0.539 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.241 -0.354 -7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.910 -0.961 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.073 1.019 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.842 0.659 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.450 2.340 -8.616 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.927 0.748 -5.248 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.582 0.786 -4.685 1.00 0.00 C ATOM 1583 C VAL A 97 -1.823 -0.508 -4.965 1.00 0.00 C ATOM 1584 O VAL A 97 -2.420 -1.534 -5.288 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.623 1.021 -3.162 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.238 1.353 -2.635 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.609 2.126 -2.815 1.00 0.00 C ATOM 0 H VAL A 97 -4.478 -0.063 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.063 1.615 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.960 0.102 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.288 1.515 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.560 0.526 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.870 2.256 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.622 2.276 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.306 3.051 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.606 1.844 -3.155 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.500 -0.448 -4.834 1.00 0.00 N ATOM 1598 CA LYS A 98 0.353 -1.609 -5.063 1.00 0.00 C ATOM 1599 C LYS A 98 1.328 -1.790 -3.900 1.00 0.00 C ATOM 1600 O LYS A 98 1.580 -0.851 -3.146 1.00 0.00 O ATOM 1601 CB LYS A 98 1.125 -1.455 -6.375 1.00 0.00 C ATOM 1602 CG LYS A 98 1.980 -0.200 -6.434 1.00 0.00 C ATOM 1603 CD LYS A 98 1.916 0.457 -7.804 1.00 0.00 C ATOM 1604 CE LYS A 98 3.072 0.016 -8.689 1.00 0.00 C ATOM 1605 NZ LYS A 98 2.656 -1.026 -9.668 1.00 0.00 N ATOM 0 H LYS A 98 0.006 0.397 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.281 -2.493 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.764 -2.327 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.417 -1.442 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.643 0.506 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.014 -0.452 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.971 0.205 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.937 1.541 -7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.469 0.879 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.878 -0.372 -8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.472 -1.299 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.301 -1.860 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.904 -0.648 -10.279 1.00 0.00 H new ATOM 1619 N PRO A 99 1.892 -2.998 -3.734 1.00 0.00 N ATOM 1620 CA PRO A 99 2.841 -3.279 -2.652 1.00 0.00 C ATOM 1621 C PRO A 99 3.977 -2.265 -2.604 1.00 0.00 C ATOM 1622 O PRO A 99 4.651 -2.025 -3.605 1.00 0.00 O ATOM 1623 CB PRO A 99 3.375 -4.671 -2.991 1.00 0.00 C ATOM 1624 CG PRO A 99 2.304 -5.299 -3.815 1.00 0.00 C ATOM 1625 CD PRO A 99 1.656 -4.179 -4.585 1.00 0.00 C ATOM 0 HA PRO A 99 2.368 -3.223 -1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.314 -4.611 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.571 -5.250 -2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.720 -6.046 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.576 -5.810 -3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.103 -4.059 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.592 -4.359 -4.737 1.00 0.00 H new ATOM 1633 N GLY A 100 4.175 -1.667 -1.435 1.00 0.00 N ATOM 1634 CA GLY A 100 5.222 -0.678 -1.278 1.00 0.00 C ATOM 1635 C GLY A 100 4.732 0.722 -1.589 1.00 0.00 C ATOM 1636 O GLY A 100 5.493 1.561 -2.074 1.00 0.00 O ATOM 0 H GLY A 100 3.628 -1.850 -0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.601 -0.711 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.055 -0.925 -1.936 1.00 0.00 H new ATOM 1640 N ARG A 101 3.453 0.971 -1.320 1.00 0.00 N ATOM 1641 CA ARG A 101 2.855 2.276 -1.585 1.00 0.00 C ATOM 1642 C ARG A 101 2.504 3.004 -0.292 1.00 0.00 C ATOM 1643 O ARG A 101 1.672 2.539 0.487 1.00 0.00 O ATOM 1644 CB ARG A 101 1.595 2.112 -2.433 1.00 0.00 C ATOM 1645 CG ARG A 101 1.836 2.265 -3.924 1.00 0.00 C ATOM 1646 CD ARG A 101 2.251 3.682 -4.277 1.00 0.00 C ATOM 1647 NE ARG A 101 1.427 4.244 -5.344 1.00 0.00 N ATOM 1648 CZ ARG A 101 1.804 5.259 -6.119 1.00 0.00 C ATOM 1649 NH1 ARG A 101 2.992 5.826 -5.951 1.00 0.00 N ATOM 1650 NH2 ARG A 101 0.991 5.707 -7.065 1.00 0.00 N ATOM 0 H ARG A 101 2.811 0.287 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 101 3.590 2.873 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.166 1.128 -2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.857 2.849 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.611 1.568 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.929 2.004 -4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.177 4.313 -3.391 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.296 3.687 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 101 0.507 3.834 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.622 5.485 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.275 6.603 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.077 5.274 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.279 6.485 -7.659 1.00 0.00 H new ATOM 1664 N VAL A 102 3.126 4.160 -0.078 1.00 0.00 N ATOM 1665 CA VAL A 102 2.862 4.960 1.110 1.00 0.00 C ATOM 1666 C VAL A 102 1.535 5.701 0.972 1.00 0.00 C ATOM 1667 O VAL A 102 1.431 6.670 0.220 1.00 0.00 O ATOM 1668 CB VAL A 102 3.987 5.983 1.364 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.767 6.703 2.686 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.346 5.301 1.340 1.00 0.00 C ATOM 0 H VAL A 102 3.816 4.562 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 102 2.815 4.275 1.957 1.00 0.00 H new ATOM 0 HB VAL A 102 3.965 6.724 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.571 7.421 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.812 7.228 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.760 5.977 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.127 6.040 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.383 4.536 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.504 4.838 0.366 1.00 0.00 H new ATOM 1680 N MET A 103 0.521 5.233 1.692 1.00 0.00 N ATOM 1681 CA MET A 103 -0.800 5.846 1.637 1.00 0.00 C ATOM 1682 C MET A 103 -0.952 6.936 2.693 1.00 0.00 C ATOM 1683 O MET A 103 -1.661 7.921 2.484 1.00 0.00 O ATOM 1684 CB MET A 103 -1.882 4.782 1.831 1.00 0.00 C ATOM 1685 CG MET A 103 -1.749 3.600 0.885 1.00 0.00 C ATOM 1686 SD MET A 103 -2.790 2.208 1.363 1.00 0.00 S ATOM 1687 CE MET A 103 -2.020 1.724 2.907 1.00 0.00 C ATOM 0 H MET A 103 0.589 4.432 2.320 1.00 0.00 H new ATOM 0 HA MET A 103 -0.914 6.306 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.844 4.420 2.859 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.861 5.241 1.690 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.012 3.916 -0.124 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.708 3.278 0.857 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.040 0.638 2.999 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.987 2.070 2.923 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.564 2.169 3.740 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.288 6.752 3.829 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.360 7.720 4.917 1.00 0.00 C ATOM 1699 C PHE A 104 1.031 8.091 5.417 1.00 0.00 C ATOM 1700 O PHE A 104 2.005 7.387 5.152 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.187 7.152 6.070 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.658 7.072 5.777 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.156 6.103 4.920 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.543 7.963 6.362 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.509 6.025 4.651 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.897 7.891 6.097 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.382 6.920 5.241 1.00 0.00 C ATOM 0 H PHE A 104 0.304 5.944 4.020 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.839 8.621 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.819 6.155 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.035 7.771 6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.478 5.401 4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.170 8.723 7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.884 5.266 3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.576 8.593 6.558 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.440 6.861 5.034 1.00 0.00 H new ATOM 1717 N GLU A 105 1.113 9.199 6.147 1.00 0.00 N ATOM 1718 CA GLU A 105 2.381 9.666 6.696 1.00 0.00 C ATOM 1719 C GLU A 105 2.148 10.759 7.734 1.00 0.00 C ATOM 1720 O GLU A 105 1.647 11.837 7.413 1.00 0.00 O ATOM 1721 CB GLU A 105 3.289 10.186 5.580 1.00 0.00 C ATOM 1722 CG GLU A 105 2.593 11.139 4.622 1.00 0.00 C ATOM 1723 CD GLU A 105 2.370 10.531 3.251 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.024 9.332 3.182 1.00 0.00 O ATOM 1725 OE2 GLU A 105 2.542 11.252 2.246 1.00 0.00 O ATOM 0 H GLU A 105 0.314 9.791 6.372 1.00 0.00 H new ATOM 0 HA GLU A 105 2.872 8.823 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.144 10.693 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.679 9.339 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.633 11.435 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.190 12.046 4.520 1.00 0.00 H new ATOM 1732 N VAL A 106 2.512 10.473 8.980 1.00 0.00 N ATOM 1733 CA VAL A 106 2.337 11.431 10.065 1.00 0.00 C ATOM 1734 C VAL A 106 3.642 12.152 10.383 1.00 0.00 C ATOM 1735 O VAL A 106 4.712 11.756 9.921 1.00 0.00 O ATOM 1736 CB VAL A 106 1.816 10.749 11.344 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.435 10.158 11.109 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.790 9.680 11.819 1.00 0.00 C ATOM 0 H VAL A 106 2.930 9.586 9.263 1.00 0.00 H new ATOM 0 HA VAL A 106 1.599 12.157 9.724 1.00 0.00 H new ATOM 0 HB VAL A 106 1.735 11.503 12.127 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.083 9.680 12.023 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.257 10.951 10.825 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.487 9.418 10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.403 9.211 12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.910 8.925 11.042 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.756 10.137 12.033 1.00 0.00 H new ATOM 1748 N ALA A 107 3.544 13.213 11.178 1.00 0.00 N ATOM 1749 CA ALA A 107 4.717 13.991 11.561 1.00 0.00 C ATOM 1750 C ALA A 107 4.451 14.799 12.828 1.00 0.00 C ATOM 1751 O ALA A 107 3.350 15.311 13.030 1.00 0.00 O ATOM 1752 CB ALA A 107 5.134 14.911 10.422 1.00 0.00 C ATOM 0 H ALA A 107 2.666 13.553 11.569 1.00 0.00 H new ATOM 0 HA ALA A 107 5.531 13.297 11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.010 15.486 10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.374 14.315 9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.316 15.592 10.187 1.00 0.00 H new ATOM 1758 N GLY A 108 5.467 14.912 13.676 1.00 0.00 N ATOM 1759 CA GLY A 108 5.325 15.663 14.909 1.00 0.00 C ATOM 1760 C GLY A 108 5.000 14.781 16.099 1.00 0.00 C ATOM 1761 O GLY A 108 5.498 15.007 17.202 1.00 0.00 O ATOM 0 H GLY A 108 6.387 14.496 13.531 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.249 16.206 15.107 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.537 16.407 14.788 1.00 0.00 H new ATOM 1765 N VAL A 109 4.159 13.774 15.879 1.00 0.00 N ATOM 1766 CA VAL A 109 3.769 12.861 16.947 1.00 0.00 C ATOM 1767 C VAL A 109 4.887 11.875 17.269 1.00 0.00 C ATOM 1768 O VAL A 109 5.862 11.761 16.527 1.00 0.00 O ATOM 1769 CB VAL A 109 2.492 12.079 16.582 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.331 13.036 16.351 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.725 11.204 15.357 1.00 0.00 C ATOM 0 H VAL A 109 3.736 13.571 14.973 1.00 0.00 H new ATOM 0 HA VAL A 109 3.569 13.473 17.826 1.00 0.00 H new ATOM 0 HB VAL A 109 2.238 11.427 17.417 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.437 12.468 16.094 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.147 13.611 17.259 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.576 13.715 15.535 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.810 10.662 15.118 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.007 11.830 14.511 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.525 10.493 15.564 1.00 0.00 H new ATOM 1781 N THR A 110 4.737 11.165 18.384 1.00 0.00 N ATOM 1782 CA THR A 110 5.734 10.188 18.808 1.00 0.00 C ATOM 1783 C THR A 110 5.648 8.920 17.966 1.00 0.00 C ATOM 1784 O THR A 110 4.798 8.802 17.084 1.00 0.00 O ATOM 1785 CB THR A 110 5.546 9.846 20.287 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.421 9.003 20.466 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.350 11.064 21.163 1.00 0.00 C ATOM 0 H THR A 110 3.935 11.248 19.009 1.00 0.00 H new ATOM 0 HA THR A 110 6.721 10.629 18.666 1.00 0.00 H new ATOM 0 HB THR A 110 6.467 9.347 20.588 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.317 8.794 21.418 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.223 10.750 22.199 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.223 11.713 21.085 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.463 11.608 20.837 1.00 0.00 H new ATOM 1795 N GLU A 111 6.536 7.970 18.246 1.00 0.00 N ATOM 1796 CA GLU A 111 6.563 6.708 17.517 1.00 0.00 C ATOM 1797 C GLU A 111 5.396 5.816 17.926 1.00 0.00 C ATOM 1798 O GLU A 111 4.753 5.193 17.083 1.00 0.00 O ATOM 1799 CB GLU A 111 7.886 5.981 17.765 1.00 0.00 C ATOM 1800 CG GLU A 111 8.009 4.668 17.011 1.00 0.00 C ATOM 1801 CD GLU A 111 9.433 4.144 16.982 1.00 0.00 C ATOM 1802 OE1 GLU A 111 9.863 3.541 17.986 1.00 0.00 O ATOM 1803 OE2 GLU A 111 10.115 4.339 15.954 1.00 0.00 O ATOM 0 H GLU A 111 7.246 8.051 18.973 1.00 0.00 H new ATOM 0 HA GLU A 111 6.471 6.930 16.454 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.710 6.634 17.477 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.991 5.788 18.833 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.361 3.924 17.475 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.655 4.805 15.989 1.00 0.00 H new ATOM 1810 N GLU A 112 5.129 5.759 19.227 1.00 0.00 N ATOM 1811 CA GLU A 112 4.040 4.942 19.748 1.00 0.00 C ATOM 1812 C GLU A 112 2.697 5.407 19.193 1.00 0.00 C ATOM 1813 O GLU A 112 1.863 4.592 18.796 1.00 0.00 O ATOM 1814 CB GLU A 112 4.020 4.994 21.276 1.00 0.00 C ATOM 1815 CG GLU A 112 3.704 3.658 21.927 1.00 0.00 C ATOM 1816 CD GLU A 112 3.390 3.786 23.404 1.00 0.00 C ATOM 1817 OE1 GLU A 112 4.246 4.303 24.150 1.00 0.00 O ATOM 1818 OE2 GLU A 112 2.285 3.370 23.814 1.00 0.00 O ATOM 0 H GLU A 112 5.652 6.269 19.939 1.00 0.00 H new ATOM 0 HA GLU A 112 4.207 3.913 19.430 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.990 5.342 21.632 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.281 5.728 21.596 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.855 3.202 21.418 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.552 2.986 21.797 1.00 0.00 H new ATOM 1825 N GLN A 113 2.495 6.720 19.165 1.00 0.00 N ATOM 1826 CA GLN A 113 1.255 7.293 18.657 1.00 0.00 C ATOM 1827 C GLN A 113 1.212 7.226 17.135 1.00 0.00 C ATOM 1828 O GLN A 113 0.167 6.956 16.543 1.00 0.00 O ATOM 1829 CB GLN A 113 1.111 8.742 19.122 1.00 0.00 C ATOM 1830 CG GLN A 113 1.312 8.924 20.617 1.00 0.00 C ATOM 1831 CD GLN A 113 1.313 10.381 21.033 1.00 0.00 C ATOM 1832 OE1 GLN A 113 2.039 11.199 20.467 1.00 0.00 O ATOM 1833 NE2 GLN A 113 0.499 10.713 22.027 1.00 0.00 N ATOM 0 H GLN A 113 3.175 7.408 19.489 1.00 0.00 H new ATOM 0 HA GLN A 113 0.423 6.710 19.052 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.834 9.359 18.589 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.120 9.105 18.850 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.522 8.398 21.153 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.256 8.466 20.911 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -0.085 10.002 22.467 1.00 0.00 H new ATOM 0 HE22 GLN A 113 0.457 11.679 22.351 1.00 0.00 H new ATOM 1842 N ALA A 114 2.355 7.479 16.508 1.00 0.00 N ATOM 1843 CA ALA A 114 2.455 7.451 15.057 1.00 0.00 C ATOM 1844 C ALA A 114 2.301 6.033 14.518 1.00 0.00 C ATOM 1845 O ALA A 114 1.539 5.793 13.582 1.00 0.00 O ATOM 1846 CB ALA A 114 3.783 8.042 14.617 1.00 0.00 C ATOM 0 H ALA A 114 3.227 7.706 16.985 1.00 0.00 H new ATOM 0 HA ALA A 114 1.643 8.052 14.649 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.850 8.017 13.529 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.854 9.074 14.961 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.600 7.460 15.044 1.00 0.00 H new ATOM 1852 N MET A 115 3.030 5.096 15.116 1.00 0.00 N ATOM 1853 CA MET A 115 2.973 3.701 14.696 1.00 0.00 C ATOM 1854 C MET A 115 1.570 3.136 14.883 1.00 0.00 C ATOM 1855 O MET A 115 1.037 2.465 14.000 1.00 0.00 O ATOM 1856 CB MET A 115 3.982 2.867 15.485 1.00 0.00 C ATOM 1857 CG MET A 115 5.431 3.209 15.173 1.00 0.00 C ATOM 1858 SD MET A 115 6.299 1.871 14.332 1.00 0.00 S ATOM 1859 CE MET A 115 7.529 2.792 13.411 1.00 0.00 C ATOM 0 H MET A 115 3.666 5.278 15.892 1.00 0.00 H new ATOM 0 HA MET A 115 3.226 3.655 13.637 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.805 3.011 16.551 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.813 1.811 15.273 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.463 4.104 14.551 1.00 0.00 H new ATOM 0 HG3 MET A 115 5.951 3.447 16.101 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.135 2.103 12.824 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.032 3.497 12.744 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.169 3.338 14.104 1.00 0.00 H new ATOM 1869 N GLU A 116 0.976 3.414 16.039 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.367 2.935 16.339 1.00 0.00 C ATOM 1871 C GLU A 116 -1.388 3.567 15.399 1.00 0.00 C ATOM 1872 O GLU A 116 -2.220 2.873 14.816 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.733 3.248 17.790 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.735 2.274 18.389 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.531 2.069 19.878 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -1.033 3.002 20.543 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -1.868 0.976 20.378 1.00 0.00 O ATOM 0 H GLU A 116 1.403 3.968 16.782 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.382 1.855 16.195 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.174 3.241 18.394 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.143 4.257 17.843 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.745 2.643 18.212 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.652 1.314 17.879 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.317 4.886 15.256 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.237 5.607 14.384 1.00 0.00 C ATOM 1886 C ALA A 117 -2.152 5.089 12.953 1.00 0.00 C ATOM 1887 O ALA A 117 -3.170 4.790 12.329 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.942 7.099 14.426 1.00 0.00 C ATOM 0 H ALA A 117 -0.634 5.476 15.731 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.252 5.438 14.745 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.636 7.626 13.771 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.058 7.464 15.446 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.920 7.277 14.091 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.931 4.973 12.441 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.720 4.480 11.086 1.00 0.00 C ATOM 1896 C LEU A 118 -1.264 3.063 10.947 1.00 0.00 C ATOM 1897 O LEU A 118 -1.738 2.669 9.881 1.00 0.00 O ATOM 1898 CB LEU A 118 0.772 4.509 10.736 1.00 0.00 C ATOM 1899 CG LEU A 118 1.272 5.786 10.048 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.413 6.986 10.419 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.727 6.045 10.408 1.00 0.00 C ATOM 0 H LEU A 118 -0.076 5.213 12.942 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.255 5.130 10.393 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.344 4.365 11.653 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.990 3.660 10.088 1.00 0.00 H new ATOM 0 HG LEU A 118 1.195 5.639 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.793 7.875 9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.617 6.806 10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.446 7.138 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.068 6.954 9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.819 6.164 11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.338 5.203 10.082 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.197 2.304 12.037 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.688 0.933 12.046 1.00 0.00 C ATOM 1915 C ARG A 119 -3.214 0.909 12.073 1.00 0.00 C ATOM 1916 O ARG A 119 -3.843 0.077 11.420 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.125 0.177 13.251 1.00 0.00 C ATOM 1918 CG ARG A 119 -0.156 -0.933 12.875 1.00 0.00 C ATOM 1919 CD ARG A 119 1.128 -0.852 13.685 1.00 0.00 C ATOM 1920 NE ARG A 119 1.069 -1.678 14.889 1.00 0.00 N ATOM 1921 CZ ARG A 119 1.020 -3.008 14.874 1.00 0.00 C ATOM 1922 NH1 ARG A 119 1.019 -3.666 13.721 1.00 0.00 N ATOM 1923 NH2 ARG A 119 0.970 -3.682 16.014 1.00 0.00 N ATOM 0 H ARG A 119 -0.807 2.617 12.926 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.352 0.440 11.134 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.618 0.884 13.908 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.951 -0.250 13.820 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.630 -1.901 13.038 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.078 -0.868 11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.967 -1.171 13.067 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.315 0.185 13.965 1.00 0.00 H new ATOM 0 HE ARG A 119 1.065 -1.208 15.794 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.056 -3.152 12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.981 -4.685 13.716 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.969 -3.181 16.903 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.932 -4.701 16.003 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.804 1.835 12.827 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.257 1.924 12.931 1.00 0.00 C ATOM 1939 C ILE A 120 -5.882 2.091 11.549 1.00 0.00 C ATOM 1940 O ILE A 120 -6.956 1.556 11.273 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.686 3.100 13.839 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.227 2.853 15.276 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.195 3.300 13.793 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.006 4.124 16.066 1.00 0.00 C ATOM 0 H ILE A 120 -3.298 2.532 13.373 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.611 0.995 13.378 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.211 4.008 13.468 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.971 2.242 15.787 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.300 2.279 15.259 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.472 4.133 14.440 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.502 3.517 12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.693 2.393 14.136 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.682 3.873 17.076 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.240 4.727 15.578 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.937 4.689 16.114 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.197 2.830 10.682 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.679 3.058 9.328 1.00 0.00 C ATOM 1958 C ALA A 121 -5.654 1.763 8.526 1.00 0.00 C ATOM 1959 O ALA A 121 -6.631 1.411 7.865 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.840 4.125 8.640 1.00 0.00 C ATOM 0 H ALA A 121 -4.307 3.280 10.895 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.710 3.408 9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.213 4.284 7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.905 5.057 9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.801 3.799 8.597 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.531 1.054 8.597 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.397 -0.200 7.880 1.00 0.00 C ATOM 1968 C GLY A 122 -5.297 -1.285 8.439 1.00 0.00 C ATOM 1969 O GLY A 122 -5.647 -2.231 7.734 1.00 0.00 O ATOM 0 H GLY A 122 -3.711 1.327 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.634 -0.041 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.360 -0.533 7.926 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.674 -1.147 9.707 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.542 -2.122 10.356 1.00 0.00 C ATOM 1975 C HIS A 123 -7.859 -2.263 9.598 1.00 0.00 C ATOM 1976 O HIS A 123 -8.355 -3.370 9.393 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.811 -1.712 11.805 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.167 -2.614 12.811 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -6.850 -3.616 13.470 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -4.895 -2.664 13.271 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -6.025 -4.242 14.291 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -4.834 -3.684 14.189 1.00 0.00 N ATOM 0 H HIS A 123 -5.392 -0.370 10.304 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.035 -3.087 10.350 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.452 -0.694 11.959 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.887 -1.699 11.977 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -4.080 -2.022 12.972 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.282 -5.069 14.936 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.002 -3.965 14.708 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.416 -1.131 9.180 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.673 -1.127 8.440 1.00 0.00 C ATOM 1993 C LYS A 124 -9.434 -1.303 6.940 1.00 0.00 C ATOM 1994 O LYS A 124 -10.381 -1.350 6.155 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.435 0.172 8.696 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.654 1.420 8.333 1.00 0.00 C ATOM 1997 CD LYS A 124 -10.500 2.668 8.510 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.868 2.888 9.969 1.00 0.00 C ATOM 1999 NZ LYS A 124 -12.336 2.774 10.196 1.00 0.00 N ATOM 0 H LYS A 124 -8.018 -0.206 9.341 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.270 -1.969 8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.363 0.157 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.710 0.220 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.764 1.489 8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -9.314 1.352 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.955 3.535 8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.408 2.581 7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.347 2.158 10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.528 3.874 10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.545 2.931 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.832 3.487 9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.657 1.824 9.919 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.165 -1.404 6.547 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.813 -1.581 5.142 1.00 0.00 C ATOM 2015 C LEU A 125 -7.880 -3.054 4.751 1.00 0.00 C ATOM 2016 O LEU A 125 -7.710 -3.937 5.592 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.407 -1.037 4.873 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.300 0.487 4.792 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.858 0.908 4.558 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.198 1.028 3.692 1.00 0.00 C ATOM 0 H LEU A 125 -7.367 -1.366 7.181 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.532 -1.026 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.742 -1.390 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.044 -1.460 3.936 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.631 0.905 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.801 1.995 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.237 0.553 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.501 0.478 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.108 2.113 3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.898 0.602 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.233 0.757 3.901 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.130 -3.341 3.462 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.220 -4.706 2.959 1.00 0.00 C ATOM 2034 C PRO A 126 -6.870 -5.250 2.497 1.00 0.00 C ATOM 2035 O PRO A 126 -6.804 -6.110 1.620 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.167 -4.549 1.775 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.879 -3.183 1.238 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.350 -2.356 2.389 1.00 0.00 C ATOM 0 HA PRO A 126 -8.556 -5.413 3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.990 -5.316 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.208 -4.641 2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.148 -3.232 0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.781 -2.734 0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.426 -1.844 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.063 -1.589 2.691 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.794 -4.738 3.089 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.449 -5.171 2.732 1.00 0.00 C ATOM 2048 C ILE A 127 -3.487 -5.017 3.907 1.00 0.00 C ATOM 2049 O ILE A 127 -3.802 -4.355 4.897 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.900 -4.382 1.526 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.259 -2.897 1.639 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.439 -4.964 0.229 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.365 -2.129 2.587 1.00 0.00 C ATOM 0 H ILE A 127 -5.829 -4.024 3.817 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.522 -6.225 2.462 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.813 -4.468 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.202 -2.442 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.292 -2.806 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.044 -4.399 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.132 -6.006 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.527 -4.905 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.678 -1.085 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.440 -2.559 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.333 -2.189 2.242 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.316 -5.636 3.790 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.308 -5.571 4.843 1.00 0.00 C ATOM 2067 C LYS A 128 -0.461 -4.309 4.715 1.00 0.00 C ATOM 2068 O LYS A 128 0.123 -4.044 3.664 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.410 -6.811 4.793 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.215 -7.474 6.148 1.00 0.00 C ATOM 2071 CD LYS A 128 0.334 -6.495 7.173 1.00 0.00 C ATOM 2072 CE LYS A 128 1.160 -7.205 8.233 1.00 0.00 C ATOM 2073 NZ LYS A 128 2.389 -7.822 7.661 1.00 0.00 N ATOM 0 H LYS A 128 -2.042 -6.188 2.977 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.824 -5.541 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.842 -7.535 4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.563 -6.529 4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.166 -7.874 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.468 -8.318 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.949 -5.748 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.490 -5.963 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 128 1.439 -6.495 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.554 -7.977 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.116 -7.899 8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 2.164 -8.770 7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.747 -7.229 6.885 1.00 0.00 H new ATOM 2087 N THR A 129 -0.398 -3.535 5.793 1.00 0.00 N ATOM 2088 CA THR A 129 0.379 -2.301 5.805 1.00 0.00 C ATOM 2089 C THR A 129 1.333 -2.277 6.994 1.00 0.00 C ATOM 2090 O THR A 129 1.072 -2.896 8.025 1.00 0.00 O ATOM 2091 CB THR A 129 -0.548 -1.088 5.864 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.146 -0.974 7.143 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.661 -1.131 4.840 1.00 0.00 C ATOM 0 H THR A 129 -0.876 -3.741 6.670 1.00 0.00 H new ATOM 0 HA THR A 129 0.962 -2.260 4.885 1.00 0.00 H new ATOM 0 HB THR A 129 0.089 -0.230 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.746 -1.734 7.292 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.281 -0.240 4.938 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.233 -1.166 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.273 -2.018 5.005 1.00 0.00 H new ATOM 2101 N LYS A 130 2.441 -1.557 6.845 1.00 0.00 N ATOM 2102 CA LYS A 130 3.431 -1.457 7.912 1.00 0.00 C ATOM 2103 C LYS A 130 3.882 -0.014 8.107 1.00 0.00 C ATOM 2104 O LYS A 130 3.839 0.790 7.175 1.00 0.00 O ATOM 2105 CB LYS A 130 4.640 -2.339 7.593 1.00 0.00 C ATOM 2106 CG LYS A 130 5.192 -2.124 6.193 1.00 0.00 C ATOM 2107 CD LYS A 130 6.617 -2.637 6.071 1.00 0.00 C ATOM 2108 CE LYS A 130 7.378 -1.903 4.978 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.555 -2.681 4.503 1.00 0.00 N ATOM 0 H LYS A 130 2.675 -1.036 6.000 1.00 0.00 H new ATOM 0 HA LYS A 130 2.967 -1.801 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.427 -2.140 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.357 -3.385 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.557 -2.634 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.164 -1.062 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.133 -2.512 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.604 -3.705 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.710 -1.707 4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.710 -0.935 5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.047 -2.147 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.205 -2.847 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.236 -3.594 4.121 1.00 0.00 H new ATOM 2123 N ILE A 131 4.324 0.308 9.319 1.00 0.00 N ATOM 2124 CA ILE A 131 4.793 1.656 9.622 1.00 0.00 C ATOM 2125 C ILE A 131 6.256 1.806 9.229 1.00 0.00 C ATOM 2126 O ILE A 131 7.079 0.942 9.531 1.00 0.00 O ATOM 2127 CB ILE A 131 4.658 2.007 11.121 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.422 1.341 11.736 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.609 3.518 11.307 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.123 1.723 11.064 1.00 0.00 C ATOM 0 H ILE A 131 4.367 -0.342 10.104 1.00 0.00 H new ATOM 0 HA ILE A 131 4.164 2.337 9.048 1.00 0.00 H new ATOM 0 HB ILE A 131 5.534 1.622 11.642 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.541 0.259 11.685 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.366 1.607 12.792 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.514 3.751 12.368 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.525 3.962 10.919 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.753 3.923 10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.295 1.212 11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.979 2.801 11.137 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.157 1.432 10.014 1.00 0.00 H new ATOM 2142 N VAL A 132 6.578 2.903 8.558 1.00 0.00 N ATOM 2143 CA VAL A 132 7.947 3.150 8.134 1.00 0.00 C ATOM 2144 C VAL A 132 8.316 4.620 8.269 1.00 0.00 C ATOM 2145 O VAL A 132 7.605 5.499 7.783 1.00 0.00 O ATOM 2146 CB VAL A 132 8.177 2.714 6.674 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.753 1.270 6.468 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.437 3.635 5.718 1.00 0.00 C ATOM 0 H VAL A 132 5.914 3.632 8.297 1.00 0.00 H new ATOM 0 HA VAL A 132 8.583 2.556 8.790 1.00 0.00 H new ATOM 0 HB VAL A 132 9.244 2.786 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.925 0.985 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.336 0.623 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.694 1.165 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.612 3.311 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.369 3.600 5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.799 4.656 5.843 1.00 0.00 H new ATOM 2158 N ARG A 133 9.444 4.876 8.912 1.00 0.00 N ATOM 2159 CA ARG A 133 9.924 6.236 9.093 1.00 0.00 C ATOM 2160 C ARG A 133 10.346 6.819 7.749 1.00 0.00 C ATOM 2161 O ARG A 133 10.477 6.091 6.768 1.00 0.00 O ATOM 2162 CB ARG A 133 11.085 6.272 10.086 1.00 0.00 C ATOM 2163 CG ARG A 133 10.992 7.412 11.087 1.00 0.00 C ATOM 2164 CD ARG A 133 11.510 6.997 12.455 1.00 0.00 C ATOM 2165 NE ARG A 133 12.344 8.032 13.063 1.00 0.00 N ATOM 2166 CZ ARG A 133 11.892 9.232 13.421 1.00 0.00 C ATOM 2167 NH1 ARG A 133 10.617 9.551 13.239 1.00 0.00 N ATOM 2168 NH2 ARG A 133 12.718 10.116 13.964 1.00 0.00 N ATOM 0 H ARG A 133 10.045 4.159 9.318 1.00 0.00 H new ATOM 0 HA ARG A 133 9.115 6.842 9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.120 5.326 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.021 6.358 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.565 8.265 10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.956 7.738 11.173 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.667 6.779 13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.086 6.077 12.360 1.00 0.00 H new ATOM 0 HE ARG A 133 13.330 7.823 13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 133 9.977 8.875 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 133 10.277 10.472 13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.699 9.876 14.107 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.372 11.036 14.238 1.00 0.00 H new