USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=11 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 43 THR OG1 : rot -76:sc= -0.461 USER MOD Set 1.2: A 46 GLN : amide:sc= -2.21 K(o=-2.7,f=-5!) USER MOD Set 2.1: A 32 TYR OH : rot -34:sc= -1.1 USER MOD Set 2.2: A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.452 K(o=-0.45,f=-3.5!) USER MOD Single : A 54 MET CE :methyl 145:sc= -9.42! (180deg=-12.2!) USER MOD Single : A 57 HIS : no HE2:sc= -2.75 K(o=-2.8,f=-6.5!) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.476) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -143:sc= -4.74! (180deg=-7.91!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 113 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.5!) USER MOD Single : A 123 HIS : no HE2:sc= 0.124 K(o=0.12,f=-0.66) USER MOD Single : A 124 LYS NZ :NH3+ -178:sc= -0.0512 (180deg=-0.0653) USER MOD Single : A 128 LYS NZ :NH3+ -175:sc= 0.208 (180deg=0.199) USER MOD Single : A 129 THR OG1 : rot -50:sc= -1.66 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.359 12.340 8.895 1.00 0.00 N ATOM 508 CA ASP A 31 8.393 11.521 9.517 1.00 0.00 C ATOM 509 C ASP A 31 8.129 10.038 9.277 1.00 0.00 C ATOM 510 O ASP A 31 9.041 9.282 8.941 1.00 0.00 O ATOM 511 CB ASP A 31 8.462 11.803 11.019 1.00 0.00 C ATOM 512 CG ASP A 31 8.820 13.246 11.320 1.00 0.00 C ATOM 513 OD1 ASP A 31 7.900 14.090 11.358 1.00 0.00 O ATOM 514 OD2 ASP A 31 10.020 13.530 11.518 1.00 0.00 O ATOM 0 HA ASP A 31 9.349 11.780 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.500 11.567 11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.201 11.145 11.476 1.00 0.00 H new ATOM 519 N TYR A 32 6.878 9.628 9.455 1.00 0.00 N ATOM 520 CA TYR A 32 6.496 8.234 9.259 1.00 0.00 C ATOM 521 C TYR A 32 5.635 8.073 8.013 1.00 0.00 C ATOM 522 O TYR A 32 5.207 9.057 7.410 1.00 0.00 O ATOM 523 CB TYR A 32 5.736 7.714 10.480 1.00 0.00 C ATOM 524 CG TYR A 32 6.632 7.333 11.632 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.594 6.341 11.491 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.516 7.965 12.864 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.415 5.988 12.545 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.333 7.620 13.922 1.00 0.00 C ATOM 529 CZ TYR A 32 8.280 6.630 13.758 1.00 0.00 C ATOM 530 OH TYR A 32 9.096 6.283 14.810 1.00 0.00 O ATOM 0 H TYR A 32 6.112 10.240 9.734 1.00 0.00 H new ATOM 0 HA TYR A 32 7.409 7.653 9.128 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.035 8.479 10.814 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.146 6.846 10.187 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.702 5.837 10.542 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.774 8.739 12.996 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.158 5.214 12.420 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.231 8.122 14.873 1.00 0.00 H new ATOM 0 HH TYR A 32 9.292 5.324 14.769 1.00 0.00 H new ATOM 540 N GLY A 33 5.382 6.825 7.636 1.00 0.00 N ATOM 541 CA GLY A 33 4.572 6.557 6.465 1.00 0.00 C ATOM 542 C GLY A 33 3.940 5.180 6.494 1.00 0.00 C ATOM 543 O GLY A 33 4.612 4.185 6.763 1.00 0.00 O ATOM 0 H GLY A 33 5.724 5.995 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.788 7.311 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.190 6.650 5.572 1.00 0.00 H new ATOM 547 N LEU A 34 2.643 5.121 6.209 1.00 0.00 N ATOM 548 CA LEU A 34 1.923 3.853 6.193 1.00 0.00 C ATOM 549 C LEU A 34 1.948 3.253 4.794 1.00 0.00 C ATOM 550 O LEU A 34 1.330 3.781 3.869 1.00 0.00 O ATOM 551 CB LEU A 34 0.476 4.056 6.656 1.00 0.00 C ATOM 552 CG LEU A 34 -0.230 2.812 7.209 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.812 1.985 6.075 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.718 1.970 8.056 1.00 0.00 C ATOM 0 H LEU A 34 2.070 5.935 5.986 1.00 0.00 H new ATOM 0 HA LEU A 34 2.415 3.164 6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.466 4.828 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.104 4.436 5.815 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.045 3.145 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.310 1.106 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.533 2.585 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.011 1.670 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.189 1.095 8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.562 1.648 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.082 2.564 8.894 1.00 0.00 H new ATOM 566 N VAL A 35 2.681 2.157 4.639 1.00 0.00 N ATOM 567 CA VAL A 35 2.801 1.500 3.345 1.00 0.00 C ATOM 568 C VAL A 35 1.880 0.296 3.227 1.00 0.00 C ATOM 569 O VAL A 35 1.652 -0.431 4.195 1.00 0.00 O ATOM 570 CB VAL A 35 4.244 1.033 3.078 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.752 0.193 4.237 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.323 0.251 1.772 1.00 0.00 C ATOM 0 H VAL A 35 3.200 1.706 5.392 1.00 0.00 H new ATOM 0 HA VAL A 35 2.512 2.247 2.605 1.00 0.00 H new ATOM 0 HB VAL A 35 4.880 1.914 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.773 -0.129 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.735 0.786 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.113 -0.682 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.351 -0.070 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.675 -0.623 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.000 0.886 0.947 1.00 0.00 H new ATOM 582 N ALA A 36 1.381 0.080 2.019 1.00 0.00 N ATOM 583 CA ALA A 36 0.513 -1.047 1.736 1.00 0.00 C ATOM 584 C ALA A 36 1.321 -2.178 1.114 1.00 0.00 C ATOM 585 O ALA A 36 1.822 -2.049 -0.003 1.00 0.00 O ATOM 586 CB ALA A 36 -0.609 -0.621 0.805 1.00 0.00 C ATOM 0 H ALA A 36 1.566 0.678 1.214 1.00 0.00 H new ATOM 0 HA ALA A 36 0.073 -1.402 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.255 -1.475 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.192 0.170 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.186 -0.252 -0.129 1.00 0.00 H new ATOM 592 N LEU A 37 1.458 -3.277 1.850 1.00 0.00 N ATOM 593 CA LEU A 37 2.220 -4.431 1.378 1.00 0.00 C ATOM 594 C LEU A 37 1.397 -5.310 0.436 1.00 0.00 C ATOM 595 O LEU A 37 1.854 -6.373 0.016 1.00 0.00 O ATOM 596 CB LEU A 37 2.698 -5.261 2.570 1.00 0.00 C ATOM 597 CG LEU A 37 3.284 -4.451 3.725 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.231 -5.249 5.019 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.712 -4.035 3.406 1.00 0.00 C ATOM 0 H LEU A 37 1.051 -3.394 2.778 1.00 0.00 H new ATOM 0 HA LEU A 37 3.077 -4.055 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.859 -5.847 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.451 -5.968 2.223 1.00 0.00 H new ATOM 0 HG LEU A 37 2.684 -3.550 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.653 -4.655 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.195 -5.497 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.807 -6.167 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.117 -3.458 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.323 -4.924 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.720 -3.424 2.503 1.00 0.00 H new ATOM 611 N GLU A 38 0.187 -4.869 0.106 1.00 0.00 N ATOM 612 CA GLU A 38 -0.682 -5.630 -0.785 1.00 0.00 C ATOM 613 C GLU A 38 -1.607 -4.697 -1.564 1.00 0.00 C ATOM 614 O GLU A 38 -2.056 -3.678 -1.041 1.00 0.00 O ATOM 615 CB GLU A 38 -1.504 -6.642 0.016 1.00 0.00 C ATOM 616 CG GLU A 38 -1.599 -8.009 -0.642 1.00 0.00 C ATOM 617 CD GLU A 38 -1.878 -9.117 0.354 1.00 0.00 C ATOM 618 OE1 GLU A 38 -2.661 -8.883 1.299 1.00 0.00 O ATOM 619 OE2 GLU A 38 -1.315 -10.220 0.189 1.00 0.00 O ATOM 0 H GLU A 38 -0.213 -3.992 0.441 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.057 -6.168 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.061 -6.755 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.510 -6.247 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.389 -7.993 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.667 -8.222 -1.165 1.00 0.00 H new ATOM 626 N PRO A 39 -1.904 -5.031 -2.833 1.00 0.00 N ATOM 627 CA PRO A 39 -2.776 -4.210 -3.679 1.00 0.00 C ATOM 628 C PRO A 39 -4.223 -4.210 -3.203 1.00 0.00 C ATOM 629 O PRO A 39 -4.784 -5.257 -2.882 1.00 0.00 O ATOM 630 CB PRO A 39 -2.667 -4.872 -5.057 1.00 0.00 C ATOM 631 CG PRO A 39 -2.276 -6.280 -4.770 1.00 0.00 C ATOM 632 CD PRO A 39 -1.410 -6.225 -3.544 1.00 0.00 C ATOM 0 HA PRO A 39 -2.476 -3.162 -3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.614 -4.826 -5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.923 -4.373 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.155 -6.902 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.735 -6.714 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.513 -7.125 -2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.355 -6.132 -3.801 1.00 0.00 H new ATOM 640 N ALA A 40 -4.824 -3.024 -3.160 1.00 0.00 N ATOM 641 CA ALA A 40 -6.208 -2.884 -2.724 1.00 0.00 C ATOM 642 C ALA A 40 -6.812 -1.575 -3.222 1.00 0.00 C ATOM 643 O ALA A 40 -6.112 -0.725 -3.772 1.00 0.00 O ATOM 644 CB ALA A 40 -6.295 -2.966 -1.208 1.00 0.00 C ATOM 0 H ALA A 40 -4.374 -2.147 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.783 -3.704 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.334 -2.860 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.913 -3.930 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.700 -2.167 -0.766 1.00 0.00 H new ATOM 650 N TRP A 41 -8.117 -1.420 -3.024 1.00 0.00 N ATOM 651 CA TRP A 41 -8.820 -0.215 -3.449 1.00 0.00 C ATOM 652 C TRP A 41 -9.292 0.591 -2.244 1.00 0.00 C ATOM 653 O TRP A 41 -10.220 0.188 -1.542 1.00 0.00 O ATOM 654 CB TRP A 41 -10.014 -0.581 -4.331 1.00 0.00 C ATOM 655 CG TRP A 41 -9.627 -1.289 -5.592 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.577 -0.988 -6.411 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.284 -2.417 -6.179 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.540 -1.861 -7.471 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.579 -2.748 -7.351 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.401 -3.179 -5.826 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -9.954 -3.808 -8.171 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.772 -4.232 -6.641 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.051 -4.539 -7.801 1.00 0.00 C ATOM 0 H TRP A 41 -8.710 -2.115 -2.571 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.126 0.397 -4.025 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.696 -1.214 -3.763 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.560 0.327 -4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.877 -0.181 -6.249 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.852 -1.851 -8.224 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.964 -2.949 -4.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.400 -4.045 -9.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.633 -4.828 -6.378 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.366 -5.369 -8.416 1.00 0.00 H new ATOM 674 N ILE A 42 -8.647 1.728 -2.007 1.00 0.00 N ATOM 675 CA ILE A 42 -9.005 2.586 -0.883 1.00 0.00 C ATOM 676 C ILE A 42 -10.176 3.496 -1.238 1.00 0.00 C ATOM 677 O ILE A 42 -10.081 4.318 -2.150 1.00 0.00 O ATOM 678 CB ILE A 42 -7.814 3.456 -0.434 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.535 2.618 -0.358 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.111 4.105 0.910 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.573 1.549 0.714 1.00 0.00 C ATOM 0 H ILE A 42 -7.876 2.076 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.293 1.927 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.662 4.244 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.363 2.145 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.688 3.279 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.261 4.716 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.997 4.733 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.287 3.331 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.634 0.995 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.714 2.016 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.398 0.865 0.517 1.00 0.00 H new ATOM 693 N THR A 43 -11.278 3.344 -0.512 1.00 0.00 N ATOM 694 CA THR A 43 -12.467 4.153 -0.749 1.00 0.00 C ATOM 695 C THR A 43 -12.315 5.538 -0.137 1.00 0.00 C ATOM 696 O THR A 43 -11.315 5.834 0.517 1.00 0.00 O ATOM 697 CB THR A 43 -13.700 3.468 -0.161 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.351 2.691 0.970 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.403 2.560 -1.141 1.00 0.00 C ATOM 0 H THR A 43 -11.372 2.668 0.246 1.00 0.00 H new ATOM 0 HA THR A 43 -12.590 4.259 -1.827 1.00 0.00 H new ATOM 0 HB THR A 43 -14.378 4.278 0.110 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.923 1.860 0.676 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.269 2.106 -0.659 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.730 3.140 -2.004 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.718 1.778 -1.468 1.00 0.00 H new ATOM 707 N ALA A 44 -13.318 6.381 -0.348 1.00 0.00 N ATOM 708 CA ALA A 44 -13.301 7.733 0.190 1.00 0.00 C ATOM 709 C ALA A 44 -13.302 7.705 1.713 1.00 0.00 C ATOM 710 O ALA A 44 -12.556 8.443 2.357 1.00 0.00 O ATOM 711 CB ALA A 44 -14.491 8.524 -0.331 1.00 0.00 C ATOM 0 H ALA A 44 -14.153 6.151 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.386 8.225 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.465 9.533 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.447 8.574 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.415 8.033 -0.028 1.00 0.00 H new ATOM 717 N GLN A 45 -14.146 6.850 2.285 1.00 0.00 N ATOM 718 CA GLN A 45 -14.260 6.718 3.707 1.00 0.00 C ATOM 719 C GLN A 45 -12.959 6.245 4.343 1.00 0.00 C ATOM 720 O GLN A 45 -12.582 6.712 5.407 1.00 0.00 O ATOM 721 CB GLN A 45 -15.371 5.727 3.984 1.00 0.00 C ATOM 722 CG GLN A 45 -16.548 6.342 4.693 1.00 0.00 C ATOM 723 CD GLN A 45 -16.708 5.851 6.118 1.00 0.00 C ATOM 724 OE1 GLN A 45 -15.953 4.996 6.581 1.00 0.00 O ATOM 725 NE2 GLN A 45 -17.697 6.389 6.822 1.00 0.00 N ATOM 0 H GLN A 45 -14.766 6.234 1.760 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.483 7.691 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.707 5.295 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.978 4.909 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.435 7.426 4.699 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.457 6.120 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -18.299 7.095 6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.855 6.096 7.786 1.00 0.00 H new ATOM 734 N GLN A 46 -12.278 5.315 3.694 1.00 0.00 N ATOM 735 CA GLN A 46 -11.029 4.790 4.232 1.00 0.00 C ATOM 736 C GLN A 46 -10.008 5.906 4.426 1.00 0.00 C ATOM 737 O GLN A 46 -9.216 5.879 5.366 1.00 0.00 O ATOM 738 CB GLN A 46 -10.467 3.703 3.315 1.00 0.00 C ATOM 739 CG GLN A 46 -10.805 2.294 3.774 1.00 0.00 C ATOM 740 CD GLN A 46 -11.072 1.349 2.618 1.00 0.00 C ATOM 741 OE1 GLN A 46 -12.217 0.984 2.352 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.013 0.946 1.927 1.00 0.00 N ATOM 0 H GLN A 46 -12.563 4.910 2.802 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.238 4.349 5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.854 3.852 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.384 3.809 3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.982 1.905 4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.682 2.328 4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.082 1.274 2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.130 0.308 1.140 1.00 0.00 H new ATOM 751 N ILE A 47 -10.033 6.888 3.532 1.00 0.00 N ATOM 752 CA ILE A 47 -9.109 8.012 3.612 1.00 0.00 C ATOM 753 C ILE A 47 -9.446 8.935 4.782 1.00 0.00 C ATOM 754 O ILE A 47 -8.571 9.292 5.570 1.00 0.00 O ATOM 755 CB ILE A 47 -9.110 8.831 2.306 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.896 7.910 1.102 1.00 0.00 C ATOM 757 CG2 ILE A 47 -8.036 9.907 2.352 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.473 8.457 -0.186 1.00 0.00 C ATOM 0 H ILE A 47 -10.681 6.928 2.746 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.117 7.590 3.770 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.079 9.318 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.827 7.741 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.349 6.941 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.051 10.476 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.228 10.577 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.059 9.441 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.285 7.753 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.548 8.600 -0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.003 9.412 -0.419 1.00 0.00 H new ATOM 770 N GLU A 48 -10.712 9.327 4.884 1.00 0.00 N ATOM 771 CA GLU A 48 -11.153 10.218 5.955 1.00 0.00 C ATOM 772 C GLU A 48 -11.441 9.444 7.239 1.00 0.00 C ATOM 773 O GLU A 48 -11.000 9.830 8.322 1.00 0.00 O ATOM 774 CB GLU A 48 -12.405 10.981 5.524 1.00 0.00 C ATOM 775 CG GLU A 48 -12.615 12.278 6.283 1.00 0.00 C ATOM 776 CD GLU A 48 -14.079 12.563 6.559 1.00 0.00 C ATOM 777 OE1 GLU A 48 -14.845 12.732 5.587 1.00 0.00 O ATOM 778 OE2 GLU A 48 -14.459 12.618 7.748 1.00 0.00 O ATOM 0 H GLU A 48 -11.450 9.043 4.240 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.346 10.923 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.339 11.200 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.277 10.342 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.073 12.233 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.190 13.102 5.710 1.00 0.00 H new ATOM 785 N ALA A 49 -12.187 8.355 7.108 1.00 0.00 N ATOM 786 CA ALA A 49 -12.546 7.522 8.255 1.00 0.00 C ATOM 787 C ALA A 49 -11.304 7.086 9.024 1.00 0.00 C ATOM 788 O ALA A 49 -11.255 7.184 10.250 1.00 0.00 O ATOM 789 CB ALA A 49 -13.346 6.305 7.802 1.00 0.00 C ATOM 0 H ALA A 49 -12.558 8.025 6.217 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.167 8.118 8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.605 5.696 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.258 6.634 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.748 5.714 7.109 1.00 0.00 H new ATOM 795 N ALA A 50 -10.299 6.611 8.296 1.00 0.00 N ATOM 796 CA ALA A 50 -9.054 6.167 8.911 1.00 0.00 C ATOM 797 C ALA A 50 -8.316 7.341 9.544 1.00 0.00 C ATOM 798 O ALA A 50 -7.772 7.226 10.642 1.00 0.00 O ATOM 799 CB ALA A 50 -8.172 5.477 7.881 1.00 0.00 C ATOM 0 H ALA A 50 -10.322 6.524 7.280 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.295 5.452 9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.246 5.151 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.696 4.612 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.941 6.173 7.075 1.00 0.00 H new ATOM 805 N ARG A 51 -8.305 8.472 8.845 1.00 0.00 N ATOM 806 CA ARG A 51 -7.639 9.671 9.339 1.00 0.00 C ATOM 807 C ARG A 51 -8.241 10.111 10.668 1.00 0.00 C ATOM 808 O ARG A 51 -7.522 10.480 11.597 1.00 0.00 O ATOM 809 CB ARG A 51 -7.752 10.802 8.312 1.00 0.00 C ATOM 810 CG ARG A 51 -6.409 11.315 7.822 1.00 0.00 C ATOM 811 CD ARG A 51 -5.976 12.561 8.578 1.00 0.00 C ATOM 812 NE ARG A 51 -5.506 13.612 7.680 1.00 0.00 N ATOM 813 CZ ARG A 51 -6.312 14.417 6.994 1.00 0.00 C ATOM 814 NH1 ARG A 51 -7.631 14.296 7.100 1.00 0.00 N ATOM 815 NH2 ARG A 51 -5.802 15.350 6.201 1.00 0.00 N ATOM 0 H ARG A 51 -8.750 8.583 7.934 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.586 9.438 9.495 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.330 10.450 7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.308 11.629 8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.656 10.536 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.471 11.538 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.813 12.936 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.183 12.302 9.279 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.499 13.736 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.030 13.583 7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.244 14.916 6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.790 15.451 6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.421 15.967 5.675 1.00 0.00 H new ATOM 829 N VAL A 52 -9.566 10.069 10.749 1.00 0.00 N ATOM 830 CA VAL A 52 -10.273 10.461 11.962 1.00 0.00 C ATOM 831 C VAL A 52 -9.813 9.630 13.155 1.00 0.00 C ATOM 832 O VAL A 52 -9.562 10.163 14.236 1.00 0.00 O ATOM 833 CB VAL A 52 -11.797 10.305 11.796 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.527 10.807 13.034 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.279 11.035 10.549 1.00 0.00 C ATOM 0 H VAL A 52 -10.173 9.767 9.987 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.041 11.511 12.143 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.022 9.245 11.677 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.602 10.688 12.896 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.207 10.232 13.903 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.296 11.861 13.190 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.358 10.913 10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.040 12.095 10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.785 10.620 9.671 1.00 0.00 H new ATOM 845 N ALA A 53 -9.702 8.323 12.949 1.00 0.00 N ATOM 846 CA ALA A 53 -9.268 7.418 14.005 1.00 0.00 C ATOM 847 C ALA A 53 -7.840 7.731 14.437 1.00 0.00 C ATOM 848 O ALA A 53 -7.514 7.688 15.624 1.00 0.00 O ATOM 849 CB ALA A 53 -9.376 5.975 13.536 1.00 0.00 C ATOM 0 H ALA A 53 -9.907 7.867 12.060 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.921 7.558 14.867 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.049 5.308 14.333 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.412 5.753 13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.745 5.829 12.659 1.00 0.00 H new ATOM 855 N MET A 54 -6.992 8.047 13.464 1.00 0.00 N ATOM 856 CA MET A 54 -5.596 8.369 13.736 1.00 0.00 C ATOM 857 C MET A 54 -5.468 9.724 14.425 1.00 0.00 C ATOM 858 O MET A 54 -4.753 9.861 15.417 1.00 0.00 O ATOM 859 CB MET A 54 -4.794 8.369 12.436 1.00 0.00 C ATOM 860 CG MET A 54 -4.721 7.007 11.767 1.00 0.00 C ATOM 861 SD MET A 54 -3.390 6.899 10.556 1.00 0.00 S ATOM 862 CE MET A 54 -4.156 7.683 9.142 1.00 0.00 C ATOM 0 H MET A 54 -7.248 8.087 12.477 1.00 0.00 H new ATOM 0 HA MET A 54 -5.198 7.606 14.405 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.241 9.082 11.743 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.782 8.718 12.643 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.578 6.240 12.528 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.671 6.796 11.277 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.405 8.243 8.585 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.593 6.921 8.496 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.937 8.363 9.482 1.00 0.00 H new ATOM 872 N VAL A 55 -6.162 10.724 13.891 1.00 0.00 N ATOM 873 CA VAL A 55 -6.121 12.069 14.454 1.00 0.00 C ATOM 874 C VAL A 55 -6.541 12.065 15.921 1.00 0.00 C ATOM 875 O VAL A 55 -6.020 12.834 16.728 1.00 0.00 O ATOM 876 CB VAL A 55 -7.032 13.036 13.670 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.926 14.448 14.228 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.685 13.014 12.189 1.00 0.00 C ATOM 0 H VAL A 55 -6.759 10.629 13.070 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.090 12.413 14.376 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.064 12.703 13.785 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.577 15.113 13.660 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.230 14.449 15.275 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.895 14.794 14.149 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.338 13.702 11.652 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.647 13.318 12.054 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.821 12.006 11.798 1.00 0.00 H new ATOM 888 N ARG A 56 -7.484 11.193 16.258 1.00 0.00 N ATOM 889 CA ARG A 56 -7.974 11.088 17.627 1.00 0.00 C ATOM 890 C ARG A 56 -6.961 10.374 18.517 1.00 0.00 C ATOM 891 O ARG A 56 -6.890 10.627 19.719 1.00 0.00 O ATOM 892 CB ARG A 56 -9.309 10.342 17.652 1.00 0.00 C ATOM 893 CG ARG A 56 -10.507 11.230 17.362 1.00 0.00 C ATOM 894 CD ARG A 56 -11.612 10.462 16.657 1.00 0.00 C ATOM 895 NE ARG A 56 -12.243 9.480 17.537 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.256 8.698 17.170 1.00 0.00 C ATOM 897 NH1 ARG A 56 -13.757 8.780 15.943 1.00 0.00 N ATOM 898 NH2 ARG A 56 -13.769 7.831 18.032 1.00 0.00 N ATOM 0 H ARG A 56 -7.925 10.548 15.602 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.119 12.096 18.014 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.279 9.536 16.919 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.439 9.879 18.630 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.889 11.644 18.295 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.196 12.072 16.743 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.365 11.161 16.295 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.201 9.955 15.784 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.886 9.389 18.488 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.366 9.445 15.276 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.533 8.178 15.668 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.388 7.764 18.976 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.545 7.232 17.752 1.00 0.00 H new ATOM 912 N HIS A 57 -6.182 9.478 17.919 1.00 0.00 N ATOM 913 CA HIS A 57 -5.176 8.723 18.659 1.00 0.00 C ATOM 914 C HIS A 57 -4.123 9.649 19.262 1.00 0.00 C ATOM 915 O HIS A 57 -3.854 9.598 20.462 1.00 0.00 O ATOM 916 CB HIS A 57 -4.506 7.697 17.745 1.00 0.00 C ATOM 917 CG HIS A 57 -3.955 6.514 18.481 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.715 5.733 19.326 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.711 5.980 18.495 1.00 0.00 C ATOM 920 CE1 HIS A 57 -3.961 4.771 19.829 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.742 4.899 19.340 1.00 0.00 N ATOM 0 H HIS A 57 -6.228 9.257 16.924 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.680 8.203 19.474 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.230 7.351 17.007 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.699 8.182 17.197 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.704 5.875 19.531 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.854 6.338 17.944 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.287 4.010 20.522 1.00 0.00 H new ATOM 930 N PHE A 58 -3.527 10.491 18.423 1.00 0.00 N ATOM 931 CA PHE A 58 -2.500 11.424 18.879 1.00 0.00 C ATOM 932 C PHE A 58 -3.019 12.291 20.021 1.00 0.00 C ATOM 933 O PHE A 58 -3.611 13.345 19.794 1.00 0.00 O ATOM 934 CB PHE A 58 -2.027 12.314 17.725 1.00 0.00 C ATOM 935 CG PHE A 58 -1.829 11.577 16.430 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.792 10.669 16.280 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.683 11.795 15.361 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.612 9.994 15.088 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.507 11.122 14.167 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.470 10.220 14.030 1.00 0.00 C ATOM 0 H PHE A 58 -3.736 10.547 17.426 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.656 10.838 19.242 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.755 13.110 17.571 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.088 12.791 18.008 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.118 10.487 17.104 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.496 12.499 15.462 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.200 9.289 14.984 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.180 11.301 13.341 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.331 9.693 13.098 1.00 0.00 H new ATOM 950 N ARG A 59 -2.793 11.838 21.251 1.00 0.00 N ATOM 951 CA ARG A 59 -3.240 12.571 22.430 1.00 0.00 C ATOM 952 C ARG A 59 -2.453 13.867 22.600 1.00 0.00 C ATOM 953 O ARG A 59 -2.958 14.841 23.159 1.00 0.00 O ATOM 954 CB ARG A 59 -3.090 11.704 23.680 1.00 0.00 C ATOM 955 CG ARG A 59 -4.086 10.558 23.747 1.00 0.00 C ATOM 956 CD ARG A 59 -3.564 9.414 24.599 1.00 0.00 C ATOM 957 NE ARG A 59 -4.630 8.497 24.999 1.00 0.00 N ATOM 958 CZ ARG A 59 -4.527 7.635 26.008 1.00 0.00 C ATOM 959 NH1 ARG A 59 -3.411 7.567 26.722 1.00 0.00 N ATOM 960 NH2 ARG A 59 -5.545 6.838 26.304 1.00 0.00 N ATOM 0 H ARG A 59 -2.303 10.967 21.456 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.292 12.823 22.292 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.079 11.298 23.712 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.210 12.331 24.564 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.029 10.918 24.158 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.295 10.197 22.740 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.804 8.865 24.043 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.080 9.816 25.489 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.504 8.519 24.474 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.625 8.178 26.499 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.339 6.904 27.494 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.406 6.886 25.759 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.467 6.177 27.077 1.00 0.00 H new ATOM 974 N ARG A 60 -1.215 13.874 22.115 1.00 0.00 N ATOM 975 CA ARG A 60 -0.362 15.053 22.215 1.00 0.00 C ATOM 976 C ARG A 60 -0.407 15.872 20.930 1.00 0.00 C ATOM 977 O ARG A 60 0.584 16.491 20.542 1.00 0.00 O ATOM 978 CB ARG A 60 1.080 14.640 22.520 1.00 0.00 C ATOM 979 CG ARG A 60 1.201 13.658 23.674 1.00 0.00 C ATOM 980 CD ARG A 60 2.389 12.727 23.492 1.00 0.00 C ATOM 981 NE ARG A 60 3.660 13.409 23.726 1.00 0.00 N ATOM 982 CZ ARG A 60 4.147 13.674 24.936 1.00 0.00 C ATOM 983 NH1 ARG A 60 3.474 13.316 26.023 1.00 0.00 N ATOM 984 NH2 ARG A 60 5.311 14.298 25.060 1.00 0.00 N ATOM 0 H ARG A 60 -0.781 13.077 21.649 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.737 15.672 23.030 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.518 14.194 21.627 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.663 15.532 22.750 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.307 14.206 24.610 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.286 13.071 23.751 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.298 11.885 24.178 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.378 12.318 22.482 1.00 0.00 H new ATOM 0 HE ARG A 60 4.206 13.699 22.915 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.579 12.835 25.933 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.852 13.522 26.948 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.833 14.575 24.228 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.684 14.501 25.987 1.00 0.00 H new ATOM 998 N GLY A 61 -1.562 15.871 20.272 1.00 0.00 N ATOM 999 CA GLY A 61 -1.714 16.619 19.038 1.00 0.00 C ATOM 1000 C GLY A 61 -0.904 16.030 17.900 1.00 0.00 C ATOM 1001 O GLY A 61 0.122 15.387 18.126 1.00 0.00 O ATOM 0 H GLY A 61 -2.396 15.365 20.572 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.767 16.641 18.757 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.406 17.652 19.202 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.364 16.250 16.673 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.663 15.730 15.514 1.00 0.00 C ATOM 1007 C GLY A 62 -1.426 15.957 14.224 1.00 0.00 C ATOM 1008 O GLY A 62 -2.574 16.404 14.244 1.00 0.00 O ATOM 0 H GLY A 62 -2.210 16.779 16.461 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.315 16.205 15.442 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.490 14.662 15.647 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.788 15.650 13.100 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.412 15.822 11.794 1.00 0.00 C ATOM 1014 C LYS A 63 -0.943 14.746 10.821 1.00 0.00 C ATOM 1015 O LYS A 63 0.190 14.272 10.904 1.00 0.00 O ATOM 1016 CB LYS A 63 -1.093 17.211 11.234 1.00 0.00 C ATOM 1017 CG LYS A 63 0.381 17.418 10.924 1.00 0.00 C ATOM 1018 CD LYS A 63 0.636 18.793 10.328 1.00 0.00 C ATOM 1019 CE LYS A 63 2.050 19.272 10.614 1.00 0.00 C ATOM 1020 NZ LYS A 63 2.547 20.200 9.560 1.00 0.00 N ATOM 0 H LYS A 63 0.162 15.280 13.067 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.491 15.727 11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.673 17.369 10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.414 17.966 11.952 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.966 17.301 11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.719 16.650 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.473 18.759 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.080 19.506 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.074 19.775 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.717 18.413 10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.246 20.851 9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.992 19.652 8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.750 20.746 9.175 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.820 14.365 9.897 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.491 13.343 8.910 1.00 0.00 C ATOM 1036 C ILE A 64 -1.551 13.905 7.495 1.00 0.00 C ATOM 1037 O ILE A 64 -2.350 14.793 7.201 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.443 12.132 8.998 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.786 11.815 10.454 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.816 10.921 8.323 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.769 10.672 10.603 1.00 0.00 C ATOM 0 H ILE A 64 -2.762 14.748 9.811 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.476 13.015 9.134 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.368 12.383 8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.870 11.569 10.991 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.202 12.706 10.924 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.497 10.073 8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.624 11.148 7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.877 10.673 8.819 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.969 10.499 11.661 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.700 10.924 10.094 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.347 9.769 10.162 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.706 13.372 6.620 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.666 13.808 5.231 1.00 0.00 C ATOM 1055 C PHE A 65 -1.122 12.683 4.309 1.00 0.00 C ATOM 1056 O PHE A 65 -0.496 11.625 4.247 1.00 0.00 O ATOM 1057 CB PHE A 65 0.747 14.259 4.855 1.00 0.00 C ATOM 1058 CG PHE A 65 1.156 15.552 5.501 1.00 0.00 C ATOM 1059 CD1 PHE A 65 0.764 16.767 4.960 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.931 15.553 6.649 1.00 0.00 C ATOM 1061 CE1 PHE A 65 1.139 17.958 5.553 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.309 16.741 7.247 1.00 0.00 C ATOM 1063 CZ PHE A 65 1.912 17.945 6.697 1.00 0.00 C ATOM 0 H PHE A 65 -0.038 12.636 6.849 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.345 14.653 5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.456 13.481 5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.809 14.368 3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.159 16.783 4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.244 14.614 7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.828 18.898 5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.913 16.728 8.142 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.206 18.875 7.161 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.225 12.911 3.604 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.768 11.908 2.694 1.00 0.00 C ATOM 1075 C ILE A 66 -2.511 12.282 1.239 1.00 0.00 C ATOM 1076 O ILE A 66 -2.823 13.392 0.807 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.286 11.716 2.899 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.670 11.935 4.366 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.707 10.327 2.440 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.886 11.075 5.334 1.00 0.00 C ATOM 0 H ILE A 66 -2.759 13.779 3.645 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.256 10.973 2.923 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.811 12.458 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.517 12.984 4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.733 11.729 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.780 10.204 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.472 10.206 1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.171 9.575 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.212 11.284 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.058 10.023 5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.823 11.298 5.240 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.945 11.345 0.487 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.649 11.569 -0.923 1.00 0.00 C ATOM 1094 C ARG A 67 -2.582 10.749 -1.810 1.00 0.00 C ATOM 1095 O ARG A 67 -2.841 11.112 -2.958 1.00 0.00 O ATOM 1096 CB ARG A 67 -0.193 11.211 -1.223 1.00 0.00 C ATOM 1097 CG ARG A 67 0.423 12.048 -2.334 1.00 0.00 C ATOM 1098 CD ARG A 67 1.848 12.458 -2.001 1.00 0.00 C ATOM 1099 NE ARG A 67 2.818 11.438 -2.397 1.00 0.00 N ATOM 1100 CZ ARG A 67 4.120 11.671 -2.548 1.00 0.00 C ATOM 1101 NH1 ARG A 67 4.612 12.886 -2.338 1.00 0.00 N ATOM 1102 NH2 ARG A 67 4.932 10.687 -2.910 1.00 0.00 N ATOM 0 H ARG A 67 -1.682 10.422 0.831 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.807 12.626 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.398 11.336 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.136 10.158 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.415 11.481 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.184 12.939 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.082 13.396 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.932 12.641 -0.930 1.00 0.00 H new ATOM 0 HE ARG A 67 2.477 10.492 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.992 13.646 -2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.610 13.059 -2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.559 9.752 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.930 10.865 -3.026 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.086 9.642 -1.270 1.00 0.00 N ATOM 1117 CA ILE A 68 -3.990 8.772 -2.014 1.00 0.00 C ATOM 1118 C ILE A 68 -5.341 9.445 -2.232 1.00 0.00 C ATOM 1119 O ILE A 68 -5.885 10.077 -1.327 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.207 7.431 -1.284 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -4.843 7.665 0.089 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -2.889 6.685 -1.141 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.119 6.388 0.853 1.00 0.00 C ATOM 0 H ILE A 68 -2.883 9.327 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.523 8.579 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.887 6.820 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.184 8.299 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.778 8.210 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.060 5.741 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.474 6.487 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.188 7.291 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.569 6.630 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.803 5.762 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.184 5.851 1.014 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.879 9.302 -3.440 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.168 9.896 -3.776 1.00 0.00 C ATOM 1137 C PHE A 69 -7.997 8.943 -4.634 1.00 0.00 C ATOM 1138 O PHE A 69 -7.457 8.220 -5.471 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.966 11.223 -4.511 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.883 12.316 -4.039 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -8.063 12.550 -2.685 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.564 13.108 -4.949 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -8.905 13.555 -2.248 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -9.408 14.114 -4.518 1.00 0.00 C ATOM 1145 CZ PHE A 69 -9.578 14.338 -3.165 1.00 0.00 C ATOM 0 H PHE A 69 -5.443 8.781 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.708 10.084 -2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.933 11.546 -4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.121 11.065 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.540 11.940 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.434 12.937 -6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.037 13.728 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.934 14.724 -5.237 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.236 15.124 -2.825 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.328 8.927 -4.437 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.226 8.054 -5.199 1.00 0.00 C ATOM 1157 C PRO A 70 -10.382 8.506 -6.647 1.00 0.00 C ATOM 1158 O PRO A 70 -11.078 9.479 -6.933 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.556 8.178 -4.453 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.503 9.519 -3.807 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.059 9.755 -3.458 1.00 0.00 C ATOM 0 HA PRO A 70 -9.849 7.033 -5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.402 8.101 -5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.670 7.386 -3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.873 10.292 -4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.129 9.548 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.792 10.808 -3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.839 9.454 -2.434 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.358 4.699 -5.802 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.331 4.179 -4.905 1.00 0.00 C ATOM 1541 C VAL A 94 -9.935 4.540 -5.397 1.00 0.00 C ATOM 1542 O VAL A 94 -9.772 5.099 -6.482 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.426 2.647 -4.762 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.524 2.265 -3.781 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.659 1.993 -6.116 1.00 0.00 C ATOM 0 HA VAL A 94 -11.505 4.640 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.477 2.282 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.574 1.180 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.306 2.697 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.481 2.645 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.723 0.912 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.590 2.365 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.831 2.233 -6.783 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.929 4.212 -4.593 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.543 4.497 -4.944 1.00 0.00 C ATOM 1557 C ALA A 95 -6.726 3.210 -5.013 1.00 0.00 C ATOM 1558 O ALA A 95 -6.399 2.617 -3.986 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.930 5.461 -3.940 1.00 0.00 C ATOM 0 H ALA A 95 -9.048 3.748 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.529 4.963 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.895 5.664 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.495 6.393 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.960 5.018 -2.945 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.403 2.783 -6.230 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.627 1.565 -6.429 1.00 0.00 C ATOM 1567 C VAL A 96 -4.219 1.709 -5.861 1.00 0.00 C ATOM 1568 O VAL A 96 -3.523 2.686 -6.139 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.531 1.189 -7.920 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.058 -0.248 -8.076 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.870 1.393 -8.613 1.00 0.00 C ATOM 0 H VAL A 96 -6.666 3.262 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.152 0.771 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.801 1.845 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.996 -0.498 -9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.075 -0.359 -7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.764 -0.919 -7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.780 1.122 -9.665 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.624 0.765 -8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.166 2.439 -8.532 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.809 0.729 -5.063 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.484 0.743 -4.452 1.00 0.00 C ATOM 1583 C VAL A 97 -1.730 -0.551 -4.743 1.00 0.00 C ATOM 1584 O VAL A 97 -2.330 -1.558 -5.118 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.579 0.938 -2.926 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.203 1.187 -2.332 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.526 2.079 -2.589 1.00 0.00 C ATOM 0 H VAL A 97 -4.375 -0.085 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.939 1.581 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.979 0.024 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.291 1.322 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.557 0.334 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.772 2.084 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.579 2.200 -1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.160 3.001 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.519 1.855 -2.978 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.412 -0.518 -4.567 1.00 0.00 N ATOM 1598 CA LYS A 98 0.425 -1.690 -4.806 1.00 0.00 C ATOM 1599 C LYS A 98 1.362 -1.936 -3.623 1.00 0.00 C ATOM 1600 O LYS A 98 1.617 -1.033 -2.828 1.00 0.00 O ATOM 1601 CB LYS A 98 1.239 -1.509 -6.090 1.00 0.00 C ATOM 1602 CG LYS A 98 0.630 -2.203 -7.298 1.00 0.00 C ATOM 1603 CD LYS A 98 1.035 -1.521 -8.595 1.00 0.00 C ATOM 1604 CE LYS A 98 2.535 -1.610 -8.825 1.00 0.00 C ATOM 1605 NZ LYS A 98 2.885 -1.462 -10.266 1.00 0.00 N ATOM 0 H LYS A 98 0.100 0.309 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.226 -2.557 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.335 -0.444 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.246 -1.894 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.948 -3.245 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.456 -2.203 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.509 -1.984 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.731 -0.475 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.038 -0.834 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.902 -2.569 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.916 -1.528 -10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.426 -2.217 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.557 -0.537 -10.610 1.00 0.00 H new ATOM 1619 N PRO A 99 1.890 -3.165 -3.488 1.00 0.00 N ATOM 1620 CA PRO A 99 2.802 -3.513 -2.394 1.00 0.00 C ATOM 1621 C PRO A 99 4.000 -2.574 -2.323 1.00 0.00 C ATOM 1622 O PRO A 99 4.811 -2.514 -3.246 1.00 0.00 O ATOM 1623 CB PRO A 99 3.256 -4.934 -2.737 1.00 0.00 C ATOM 1624 CG PRO A 99 2.182 -5.478 -3.614 1.00 0.00 C ATOM 1625 CD PRO A 99 1.644 -4.306 -4.388 1.00 0.00 C ATOM 0 HA PRO A 99 2.317 -3.434 -1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.219 -4.929 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.376 -5.538 -1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.576 -6.241 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.397 -5.948 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.157 -4.184 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.583 -4.423 -4.609 1.00 0.00 H new ATOM 1633 N GLY A 100 4.101 -1.840 -1.220 1.00 0.00 N ATOM 1634 CA GLY A 100 5.200 -0.911 -1.048 1.00 0.00 C ATOM 1635 C GLY A 100 4.802 0.517 -1.370 1.00 0.00 C ATOM 1636 O GLY A 100 5.632 1.316 -1.800 1.00 0.00 O ATOM 0 H GLY A 100 3.441 -1.873 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.559 -0.963 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.029 -1.209 -1.691 1.00 0.00 H new ATOM 1640 N ARG A 101 3.527 0.837 -1.166 1.00 0.00 N ATOM 1641 CA ARG A 101 3.023 2.179 -1.444 1.00 0.00 C ATOM 1642 C ARG A 101 2.604 2.892 -0.163 1.00 0.00 C ATOM 1643 O ARG A 101 1.723 2.425 0.559 1.00 0.00 O ATOM 1644 CB ARG A 101 1.837 2.112 -2.406 1.00 0.00 C ATOM 1645 CG ARG A 101 1.904 3.136 -3.525 1.00 0.00 C ATOM 1646 CD ARG A 101 1.863 4.552 -2.979 1.00 0.00 C ATOM 1647 NE ARG A 101 1.576 5.534 -4.021 1.00 0.00 N ATOM 1648 CZ ARG A 101 0.400 5.643 -4.634 1.00 0.00 C ATOM 1649 NH1 ARG A 101 -0.601 4.833 -4.313 1.00 0.00 N ATOM 1650 NH2 ARG A 101 0.224 6.566 -5.571 1.00 0.00 N ATOM 0 H ARG A 101 2.826 0.188 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 101 3.832 2.747 -1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.788 1.114 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.915 2.260 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.819 2.991 -4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.070 2.984 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.103 4.618 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.819 4.788 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 101 2.321 6.174 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.471 4.122 -3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.500 4.921 -4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.990 7.191 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.677 6.650 -6.041 1.00 0.00 H new ATOM 1664 N VAL A 102 3.232 4.032 0.106 1.00 0.00 N ATOM 1665 CA VAL A 102 2.919 4.818 1.293 1.00 0.00 C ATOM 1666 C VAL A 102 1.615 5.587 1.106 1.00 0.00 C ATOM 1667 O VAL A 102 1.574 6.596 0.402 1.00 0.00 O ATOM 1668 CB VAL A 102 4.047 5.813 1.624 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.777 6.507 2.950 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.393 5.105 1.648 1.00 0.00 C ATOM 0 H VAL A 102 3.962 4.432 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 102 2.813 4.117 2.121 1.00 0.00 H new ATOM 0 HB VAL A 102 4.076 6.573 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.585 7.206 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.834 7.050 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.718 5.763 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.178 5.824 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.379 4.322 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.588 4.661 0.672 1.00 0.00 H new ATOM 1680 N MET A 103 0.549 5.100 1.732 1.00 0.00 N ATOM 1681 CA MET A 103 -0.759 5.737 1.626 1.00 0.00 C ATOM 1682 C MET A 103 -0.928 6.842 2.669 1.00 0.00 C ATOM 1683 O MET A 103 -1.726 7.761 2.483 1.00 0.00 O ATOM 1684 CB MET A 103 -1.869 4.696 1.789 1.00 0.00 C ATOM 1685 CG MET A 103 -1.676 3.459 0.926 1.00 0.00 C ATOM 1686 SD MET A 103 -2.799 2.120 1.369 1.00 0.00 S ATOM 1687 CE MET A 103 -2.035 1.518 2.873 1.00 0.00 C ATOM 0 H MET A 103 0.565 4.266 2.319 1.00 0.00 H new ATOM 0 HA MET A 103 -0.829 6.190 0.637 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.922 4.394 2.835 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.826 5.156 1.541 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.828 3.724 -0.120 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.647 3.111 1.021 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.127 0.433 2.919 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.980 1.793 2.881 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.532 1.961 3.736 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.184 6.744 3.765 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.266 7.736 4.833 1.00 0.00 C ATOM 1699 C PHE A 104 1.119 8.151 5.315 1.00 0.00 C ATOM 1700 O PHE A 104 2.108 7.465 5.058 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.073 7.180 6.005 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.543 7.065 5.723 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.031 6.040 4.929 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.437 7.978 6.256 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.383 5.929 4.671 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.790 7.874 6.003 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.265 6.847 5.208 1.00 0.00 C ATOM 0 H PHE A 104 0.481 5.990 3.938 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.765 8.618 4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.684 6.196 6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -0.927 7.823 6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.346 5.319 4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.071 8.782 6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.751 5.125 4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.476 8.593 6.425 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.323 6.763 5.007 1.00 0.00 H new ATOM 1717 N GLU A 105 1.179 9.277 6.019 1.00 0.00 N ATOM 1718 CA GLU A 105 2.439 9.790 6.550 1.00 0.00 C ATOM 1719 C GLU A 105 2.182 10.850 7.616 1.00 0.00 C ATOM 1720 O GLU A 105 1.637 11.916 7.328 1.00 0.00 O ATOM 1721 CB GLU A 105 3.295 10.374 5.424 1.00 0.00 C ATOM 1722 CG GLU A 105 2.507 11.205 4.426 1.00 0.00 C ATOM 1723 CD GLU A 105 2.112 10.419 3.190 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.439 9.215 3.119 1.00 0.00 O ATOM 1725 OE2 GLU A 105 1.474 11.008 2.292 1.00 0.00 O ATOM 0 H GLU A 105 0.367 9.854 6.236 1.00 0.00 H new ATOM 0 HA GLU A 105 2.978 8.961 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.079 10.993 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.789 9.559 4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.609 11.590 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.103 12.068 4.128 1.00 0.00 H new ATOM 1732 N VAL A 106 2.572 10.549 8.851 1.00 0.00 N ATOM 1733 CA VAL A 106 2.376 11.475 9.962 1.00 0.00 C ATOM 1734 C VAL A 106 3.640 12.281 10.244 1.00 0.00 C ATOM 1735 O VAL A 106 4.716 11.970 9.734 1.00 0.00 O ATOM 1736 CB VAL A 106 1.957 10.736 11.249 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.624 10.031 11.050 1.00 0.00 C ATOM 1738 CG2 VAL A 106 3.033 9.747 11.677 1.00 0.00 C ATOM 0 H VAL A 106 3.025 9.672 9.108 1.00 0.00 H new ATOM 0 HA VAL A 106 1.576 12.152 9.663 1.00 0.00 H new ATOM 0 HB VAL A 106 1.839 11.472 12.044 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.345 9.515 11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.142 10.765 10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.713 9.307 10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.717 9.237 12.587 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.189 9.014 10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.964 10.281 11.865 1.00 0.00 H new ATOM 1748 N ALA A 107 3.500 13.318 11.065 1.00 0.00 N ATOM 1749 CA ALA A 107 4.627 14.170 11.422 1.00 0.00 C ATOM 1750 C ALA A 107 4.304 15.023 12.644 1.00 0.00 C ATOM 1751 O ALA A 107 3.191 15.532 12.782 1.00 0.00 O ATOM 1752 CB ALA A 107 5.013 15.056 10.247 1.00 0.00 C ATOM 0 H ALA A 107 2.615 13.588 11.495 1.00 0.00 H new ATOM 0 HA ALA A 107 5.471 13.527 11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.856 15.687 10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.294 14.433 9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.166 15.684 9.971 1.00 0.00 H new ATOM 1758 N GLY A 108 5.285 15.178 13.528 1.00 0.00 N ATOM 1759 CA GLY A 108 5.085 15.973 14.725 1.00 0.00 C ATOM 1760 C GLY A 108 4.772 15.126 15.945 1.00 0.00 C ATOM 1761 O GLY A 108 5.059 15.525 17.074 1.00 0.00 O ATOM 0 H GLY A 108 6.214 14.767 13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.981 16.564 14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.269 16.676 14.557 1.00 0.00 H new ATOM 1765 N VAL A 109 4.180 13.957 15.721 1.00 0.00 N ATOM 1766 CA VAL A 109 3.828 13.058 16.814 1.00 0.00 C ATOM 1767 C VAL A 109 4.979 12.113 17.145 1.00 0.00 C ATOM 1768 O VAL A 109 5.999 12.094 16.457 1.00 0.00 O ATOM 1769 CB VAL A 109 2.573 12.227 16.480 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.368 13.134 16.281 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.811 11.364 15.249 1.00 0.00 C ATOM 0 H VAL A 109 3.934 13.611 14.794 1.00 0.00 H new ATOM 0 HA VAL A 109 3.618 13.685 17.681 1.00 0.00 H new ATOM 0 HB VAL A 109 2.366 11.566 17.321 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.492 12.529 16.046 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.184 13.700 17.194 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.563 13.824 15.460 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.913 10.786 15.031 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.048 12.002 14.398 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.643 10.685 15.436 1.00 0.00 H new ATOM 1781 N THR A 110 4.807 11.330 18.207 1.00 0.00 N ATOM 1782 CA THR A 110 5.831 10.382 18.631 1.00 0.00 C ATOM 1783 C THR A 110 5.739 9.086 17.833 1.00 0.00 C ATOM 1784 O THR A 110 4.890 8.944 16.954 1.00 0.00 O ATOM 1785 CB THR A 110 5.691 10.085 20.126 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.528 9.315 20.377 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.611 11.331 20.980 1.00 0.00 C ATOM 0 H THR A 110 3.969 11.334 18.788 1.00 0.00 H new ATOM 0 HA THR A 110 6.806 10.832 18.445 1.00 0.00 H new ATOM 0 HB THR A 110 6.594 9.537 20.397 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.457 9.134 21.337 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.513 11.048 22.028 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.517 11.922 20.847 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.745 11.922 20.681 1.00 0.00 H new ATOM 1795 N GLU A 111 6.621 8.140 18.146 1.00 0.00 N ATOM 1796 CA GLU A 111 6.642 6.855 17.459 1.00 0.00 C ATOM 1797 C GLU A 111 5.468 5.983 17.894 1.00 0.00 C ATOM 1798 O GLU A 111 4.820 5.340 17.068 1.00 0.00 O ATOM 1799 CB GLU A 111 7.961 6.128 17.733 1.00 0.00 C ATOM 1800 CG GLU A 111 8.066 4.776 17.046 1.00 0.00 C ATOM 1801 CD GLU A 111 9.459 4.183 17.138 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.372 4.702 16.462 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.637 3.199 17.887 1.00 0.00 O ATOM 0 H GLU A 111 7.330 8.241 18.872 1.00 0.00 H new ATOM 0 HA GLU A 111 6.553 7.043 16.389 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.788 6.758 17.405 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.073 5.989 18.808 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.351 4.087 17.496 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.789 4.883 15.997 1.00 0.00 H new ATOM 1810 N GLU A 112 5.201 5.965 19.196 1.00 0.00 N ATOM 1811 CA GLU A 112 4.105 5.171 19.739 1.00 0.00 C ATOM 1812 C GLU A 112 2.768 5.614 19.154 1.00 0.00 C ATOM 1813 O GLU A 112 1.945 4.786 18.763 1.00 0.00 O ATOM 1814 CB GLU A 112 4.074 5.287 21.265 1.00 0.00 C ATOM 1815 CG GLU A 112 4.230 3.953 21.979 1.00 0.00 C ATOM 1816 CD GLU A 112 5.633 3.389 21.860 1.00 0.00 C ATOM 1817 OE1 GLU A 112 6.592 4.106 22.214 1.00 0.00 O ATOM 1818 OE2 GLU A 112 5.770 2.231 21.414 1.00 0.00 O ATOM 0 H GLU A 112 5.728 6.490 19.894 1.00 0.00 H new ATOM 0 HA GLU A 112 4.271 4.130 19.463 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.871 5.957 21.587 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.132 5.744 21.568 1.00 0.00 H new ATOM 0 HG2 GLU A 112 3.981 4.078 23.033 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.519 3.238 21.565 1.00 0.00 H new ATOM 1825 N GLN A 113 2.557 6.925 19.095 1.00 0.00 N ATOM 1826 CA GLN A 113 1.320 7.477 18.556 1.00 0.00 C ATOM 1827 C GLN A 113 1.298 7.379 17.035 1.00 0.00 C ATOM 1828 O GLN A 113 0.265 7.082 16.434 1.00 0.00 O ATOM 1829 CB GLN A 113 1.156 8.935 18.988 1.00 0.00 C ATOM 1830 CG GLN A 113 1.273 9.141 20.491 1.00 0.00 C ATOM 1831 CD GLN A 113 -0.030 8.876 21.218 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -0.734 7.909 20.925 1.00 0.00 O ATOM 1833 NE2 GLN A 113 -0.360 9.737 22.174 1.00 0.00 N ATOM 0 H GLN A 113 3.227 7.625 19.414 1.00 0.00 H new ATOM 0 HA GLN A 113 0.489 6.893 18.951 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.911 9.541 18.487 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.183 9.297 18.655 1.00 0.00 H new ATOM 0 HG2 GLN A 113 2.046 8.481 20.885 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.595 10.163 20.690 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.253 10.525 22.384 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -1.226 9.610 22.698 1.00 0.00 H new ATOM 1842 N ALA A 114 2.447 7.633 16.418 1.00 0.00 N ATOM 1843 CA ALA A 114 2.565 7.575 14.966 1.00 0.00 C ATOM 1844 C ALA A 114 2.419 6.145 14.457 1.00 0.00 C ATOM 1845 O ALA A 114 1.667 5.885 13.517 1.00 0.00 O ATOM 1846 CB ALA A 114 3.897 8.159 14.526 1.00 0.00 C ATOM 0 H ALA A 114 3.310 7.881 16.901 1.00 0.00 H new ATOM 0 HA ALA A 114 1.757 8.168 14.536 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.974 8.111 13.440 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.963 9.198 14.849 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.710 7.588 14.974 1.00 0.00 H new ATOM 1852 N MET A 115 3.140 5.222 15.083 1.00 0.00 N ATOM 1853 CA MET A 115 3.089 3.819 14.693 1.00 0.00 C ATOM 1854 C MET A 115 1.686 3.254 14.890 1.00 0.00 C ATOM 1855 O MET A 115 1.094 2.703 13.964 1.00 0.00 O ATOM 1856 CB MET A 115 4.099 3.005 15.506 1.00 0.00 C ATOM 1857 CG MET A 115 5.548 3.336 15.181 1.00 0.00 C ATOM 1858 SD MET A 115 6.474 1.908 14.588 1.00 0.00 S ATOM 1859 CE MET A 115 7.726 2.709 13.589 1.00 0.00 C ATOM 0 H MET A 115 3.767 5.421 15.863 1.00 0.00 H new ATOM 0 HA MET A 115 3.345 3.750 13.636 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.924 3.180 16.568 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.928 1.944 15.325 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.576 4.121 14.425 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.034 3.734 16.072 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.380 1.955 13.152 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.247 3.279 12.793 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.314 3.382 14.213 1.00 0.00 H new ATOM 1869 N GLU A 116 1.160 3.398 16.104 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.174 2.904 16.418 1.00 0.00 C ATOM 1871 C GLU A 116 -1.213 3.512 15.483 1.00 0.00 C ATOM 1872 O GLU A 116 -2.040 2.801 14.913 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.530 3.224 17.871 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.512 2.238 18.486 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.159 1.882 19.916 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.284 1.013 20.114 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -1.758 2.472 20.840 1.00 0.00 O ATOM 0 H GLU A 116 1.637 3.852 16.883 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.176 1.823 16.280 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.383 3.235 18.467 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.955 4.227 17.920 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.515 2.664 18.458 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.535 1.330 17.884 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.163 4.831 15.327 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.100 5.530 14.457 1.00 0.00 C ATOM 1886 C ALA A 117 -2.010 5.004 13.029 1.00 0.00 C ATOM 1887 O ALA A 117 -3.024 4.683 12.410 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.832 7.027 14.488 1.00 0.00 C ATOM 0 H ALA A 117 -0.485 5.436 15.791 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.110 5.347 14.824 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.539 7.537 13.834 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.949 7.397 15.507 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.816 7.222 14.146 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.789 4.907 12.516 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.567 4.410 11.164 1.00 0.00 C ATOM 1896 C LEU A 118 -1.081 2.979 11.030 1.00 0.00 C ATOM 1897 O LEU A 118 -1.513 2.561 9.956 1.00 0.00 O ATOM 1898 CB LEU A 118 0.925 4.469 10.815 1.00 0.00 C ATOM 1899 CG LEU A 118 1.388 5.714 10.042 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.479 6.906 10.310 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.826 6.052 10.405 1.00 0.00 C ATOM 0 H LEU A 118 0.062 5.166 13.016 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.117 5.044 10.468 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.497 4.407 11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.175 3.586 10.226 1.00 0.00 H new ATOM 0 HG LEU A 118 1.333 5.488 8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.835 7.769 9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.538 6.665 9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.488 7.138 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.143 6.936 9.851 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.894 6.250 11.475 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.473 5.213 10.150 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.036 2.235 12.133 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.502 0.854 12.143 1.00 0.00 C ATOM 1915 C ARG A 119 -3.027 0.801 12.119 1.00 0.00 C ATOM 1916 O ARG A 119 -3.617 -0.034 11.434 1.00 0.00 O ATOM 1917 CB ARG A 119 -0.966 0.122 13.376 1.00 0.00 C ATOM 1918 CG ARG A 119 0.093 -0.918 13.046 1.00 0.00 C ATOM 1919 CD ARG A 119 1.474 -0.476 13.506 1.00 0.00 C ATOM 1920 NE ARG A 119 1.732 -0.838 14.897 1.00 0.00 N ATOM 1921 CZ ARG A 119 2.145 -2.043 15.286 1.00 0.00 C ATOM 1922 NH1 ARG A 119 2.341 -3.007 14.395 1.00 0.00 N ATOM 1923 NH2 ARG A 119 2.361 -2.286 16.572 1.00 0.00 N ATOM 0 H ARG A 119 -0.681 2.567 13.030 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.126 0.358 11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.546 0.851 14.068 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.795 -0.364 13.890 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.164 -1.864 13.522 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.107 -1.096 11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.231 -0.931 12.867 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.566 0.604 13.390 1.00 0.00 H new ATOM 0 HE ARG A 119 1.587 -0.126 15.613 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.175 -2.828 13.405 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.657 -3.927 14.701 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.211 -1.550 17.262 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.677 -3.209 16.871 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.658 1.703 12.868 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.114 1.763 12.926 1.00 0.00 C ATOM 1939 C ILE A 120 -5.704 1.932 11.528 1.00 0.00 C ATOM 1940 O ILE A 120 -6.665 1.255 11.164 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.594 2.921 13.829 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.140 2.689 15.272 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.109 3.068 13.769 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.106 3.952 16.104 1.00 0.00 C ATOM 0 H ILE A 120 -3.184 2.400 13.442 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.460 0.821 13.352 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.149 3.846 13.462 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.810 1.970 15.744 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.146 2.241 15.264 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.421 3.890 14.413 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.414 3.275 12.743 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.578 2.144 14.107 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.776 3.713 17.115 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.414 4.665 15.655 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.104 4.389 16.142 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.117 2.834 10.748 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.579 3.086 9.389 1.00 0.00 C ATOM 1958 C ALA A 121 -5.556 1.806 8.562 1.00 0.00 C ATOM 1959 O ALA A 121 -6.532 1.471 7.889 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.726 4.161 8.732 1.00 0.00 C ATOM 0 H ALA A 121 -4.320 3.403 11.035 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.609 3.439 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.083 4.339 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.796 5.084 9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.687 3.832 8.699 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.438 1.091 8.622 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.306 -0.148 7.878 1.00 0.00 C ATOM 1968 C GLY A 122 -5.198 -1.247 8.423 1.00 0.00 C ATOM 1969 O GLY A 122 -5.538 -2.191 7.709 1.00 0.00 O ATOM 0 H GLY A 122 -3.619 1.348 9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.553 0.031 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.268 -0.478 7.908 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.580 -1.126 9.691 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.440 -2.117 10.328 1.00 0.00 C ATOM 1975 C HIS A 123 -7.771 -2.231 9.593 1.00 0.00 C ATOM 1976 O HIS A 123 -8.284 -3.329 9.382 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.682 -1.749 11.793 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.902 -2.936 12.679 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -7.682 -4.013 12.315 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -6.436 -3.214 13.919 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -7.688 -4.901 13.294 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -6.939 -4.440 14.278 1.00 0.00 N ATOM 0 H HIS A 123 -5.308 -0.352 10.297 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.936 -3.082 10.284 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.827 -1.183 12.163 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.550 -1.093 11.856 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -8.177 -4.109 11.428 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.789 -2.588 14.515 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -8.216 -5.843 13.289 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.324 -1.086 9.202 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.595 -1.057 8.487 1.00 0.00 C ATOM 1993 C LYS A 124 -9.389 -1.245 6.984 1.00 0.00 C ATOM 1994 O LYS A 124 -10.352 -1.261 6.217 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.325 0.261 8.755 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.605 1.482 8.203 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.071 2.368 9.317 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.199 2.972 10.140 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.761 3.300 11.525 1.00 0.00 N ATOM 0 H LYS A 124 -7.912 -0.168 9.368 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.204 -1.884 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.322 0.209 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.455 0.382 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.781 1.162 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.288 2.056 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -8.418 1.784 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.464 3.166 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.562 3.876 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.034 2.273 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.567 3.678 12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.406 2.440 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.004 4.012 11.490 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.133 -1.390 6.565 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.816 -1.580 5.154 1.00 0.00 C ATOM 2015 C LEU A 125 -7.940 -3.051 4.767 1.00 0.00 C ATOM 2016 O LEU A 125 -7.798 -3.938 5.609 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.399 -1.085 4.853 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.241 0.436 4.783 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.808 0.809 4.427 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.215 1.027 3.775 1.00 0.00 C ATOM 0 H LEU A 125 -7.321 -1.379 7.182 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.528 -1.000 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.727 -1.469 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.076 -1.512 3.903 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.469 0.852 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.715 1.894 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.131 0.418 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.551 0.382 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.089 2.109 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -7.019 0.605 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.236 0.791 4.074 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.210 -3.331 3.480 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.356 -4.695 2.980 1.00 0.00 C ATOM 2034 C PRO A 126 -7.021 -5.325 2.581 1.00 0.00 C ATOM 2035 O PRO A 126 -6.988 -6.298 1.828 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.243 -4.502 1.756 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.866 -3.158 1.227 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.401 -2.337 2.408 1.00 0.00 C ATOM 0 HA PRO A 126 -8.763 -5.371 3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.071 -5.282 1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.299 -4.542 2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.076 -3.244 0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.716 -2.683 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.475 -1.807 2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.139 -1.586 2.687 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.924 -4.765 3.085 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.596 -5.277 2.774 1.00 0.00 C ATOM 2048 C ILE A 127 -3.636 -5.071 3.943 1.00 0.00 C ATOM 2049 O ILE A 127 -3.938 -4.336 4.883 1.00 0.00 O ATOM 2050 CB ILE A 127 -4.015 -4.601 1.517 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.192 -3.083 1.595 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.681 -5.153 0.266 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.280 -2.418 2.601 1.00 0.00 C ATOM 0 H ILE A 127 -5.930 -3.958 3.709 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.705 -6.345 2.585 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.948 -4.819 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.008 -2.653 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.227 -2.859 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.261 -4.667 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.507 -6.227 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.753 -4.961 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.461 -1.343 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.479 -2.820 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.241 -2.611 2.333 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.483 -5.729 3.878 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.481 -5.623 4.934 1.00 0.00 C ATOM 2067 C LYS A 128 -0.654 -4.349 4.783 1.00 0.00 C ATOM 2068 O LYS A 128 -0.192 -4.022 3.690 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.562 -6.846 4.916 1.00 0.00 C ATOM 2070 CG LYS A 128 0.406 -6.895 6.086 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.286 -7.339 7.365 1.00 0.00 C ATOM 2072 CE LYS A 128 0.613 -7.157 8.577 1.00 0.00 C ATOM 2073 NZ LYS A 128 0.564 -5.764 9.101 1.00 0.00 N ATOM 0 H LYS A 128 -2.219 -6.341 3.106 1.00 0.00 H new ATOM 0 HA LYS A 128 -2.003 -5.580 5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.172 -7.749 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.005 -6.851 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.222 -7.580 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.849 -5.910 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.203 -6.766 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.575 -8.387 7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.310 -7.851 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 128 1.639 -7.408 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.253 -5.659 9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 0.796 -5.097 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.391 -5.561 9.459 1.00 0.00 H new ATOM 2087 N THR A 129 -0.468 -3.638 5.890 1.00 0.00 N ATOM 2088 CA THR A 129 0.307 -2.402 5.890 1.00 0.00 C ATOM 2089 C THR A 129 1.230 -2.345 7.104 1.00 0.00 C ATOM 2090 O THR A 129 0.951 -2.958 8.134 1.00 0.00 O ATOM 2091 CB THR A 129 -0.621 -1.187 5.893 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.204 -1.006 7.172 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.745 -1.284 4.886 1.00 0.00 C ATOM 0 H THR A 129 -0.845 -3.897 6.802 1.00 0.00 H new ATOM 0 HA THR A 129 0.913 -2.385 4.984 1.00 0.00 H new ATOM 0 HB THR A 129 0.012 -0.342 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.589 -1.853 7.479 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.363 -0.388 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.328 -1.373 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.355 -2.161 5.105 1.00 0.00 H new ATOM 2101 N LYS A 130 2.330 -1.607 6.979 1.00 0.00 N ATOM 2102 CA LYS A 130 3.284 -1.480 8.076 1.00 0.00 C ATOM 2103 C LYS A 130 3.793 -0.046 8.196 1.00 0.00 C ATOM 2104 O LYS A 130 3.679 0.744 7.260 1.00 0.00 O ATOM 2105 CB LYS A 130 4.461 -2.435 7.872 1.00 0.00 C ATOM 2106 CG LYS A 130 5.053 -2.381 6.474 1.00 0.00 C ATOM 2107 CD LYS A 130 6.489 -2.879 6.457 1.00 0.00 C ATOM 2108 CE LYS A 130 7.284 -2.243 5.329 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.671 -2.779 5.257 1.00 0.00 N ATOM 0 H LYS A 130 2.581 -1.092 6.135 1.00 0.00 H new ATOM 0 HA LYS A 130 2.769 -1.741 9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.240 -2.198 8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.132 -3.453 8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.449 -2.987 5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.018 -1.357 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.965 -2.654 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.498 -3.963 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.776 -2.422 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.319 -1.163 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.180 -2.320 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.165 -2.586 6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.638 -3.806 5.094 1.00 0.00 H new ATOM 2123 N ILE A 131 4.358 0.280 9.356 1.00 0.00 N ATOM 2124 CA ILE A 131 4.888 1.619 9.597 1.00 0.00 C ATOM 2125 C ILE A 131 6.341 1.711 9.147 1.00 0.00 C ATOM 2126 O ILE A 131 7.129 0.791 9.369 1.00 0.00 O ATOM 2127 CB ILE A 131 4.806 2.018 11.088 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.631 1.323 11.783 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.686 3.529 11.223 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.291 1.622 11.152 1.00 0.00 C ATOM 0 H ILE A 131 4.460 -0.363 10.141 1.00 0.00 H new ATOM 0 HA ILE A 131 4.271 2.306 9.018 1.00 0.00 H new ATOM 0 HB ILE A 131 5.724 1.692 11.577 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.797 0.246 11.769 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.607 1.628 12.829 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.629 3.797 12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.558 4.005 10.774 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.785 3.869 10.713 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.507 1.096 11.697 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.102 2.695 11.190 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.296 1.291 10.113 1.00 0.00 H new ATOM 2142 N VAL A 132 6.693 2.825 8.513 1.00 0.00 N ATOM 2143 CA VAL A 132 8.053 3.029 8.033 1.00 0.00 C ATOM 2144 C VAL A 132 8.451 4.500 8.106 1.00 0.00 C ATOM 2145 O VAL A 132 7.676 5.382 7.734 1.00 0.00 O ATOM 2146 CB VAL A 132 8.214 2.533 6.583 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.752 1.089 6.462 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.448 3.428 5.620 1.00 0.00 C ATOM 0 H VAL A 132 6.056 3.598 8.321 1.00 0.00 H new ATOM 0 HA VAL A 132 8.709 2.450 8.683 1.00 0.00 H new ATOM 0 HB VAL A 132 9.270 2.579 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.872 0.754 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.350 0.459 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.702 1.018 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.575 3.060 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.389 3.420 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.830 4.447 5.688 1.00 0.00 H new ATOM 2158 N ARG A 133 9.662 4.760 8.585 1.00 0.00 N ATOM 2159 CA ARG A 133 10.157 6.125 8.700 1.00 0.00 C ATOM 2160 C ARG A 133 10.994 6.512 7.490 1.00 0.00 C ATOM 2161 O ARG A 133 12.041 5.918 7.231 1.00 0.00 O ATOM 2162 CB ARG A 133 10.996 6.290 9.964 1.00 0.00 C ATOM 2163 CG ARG A 133 10.848 7.658 10.605 1.00 0.00 C ATOM 2164 CD ARG A 133 11.303 7.649 12.056 1.00 0.00 C ATOM 2165 NE ARG A 133 11.186 8.967 12.675 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.063 9.952 12.494 1.00 0.00 C ATOM 2167 NH1 ARG A 133 13.120 9.772 11.712 1.00 0.00 N ATOM 2168 NH2 ARG A 133 11.882 11.120 13.096 1.00 0.00 N ATOM 0 H ARG A 133 10.318 4.044 8.899 1.00 0.00 H new ATOM 0 HA ARG A 133 9.289 6.782 8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.709 5.525 10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.045 6.121 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.432 8.388 10.045 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.806 7.975 10.552 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.707 6.930 12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.339 7.314 12.109 1.00 0.00 H new ATOM 0 HE ARG A 133 10.385 9.143 13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.263 8.876 11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.789 10.530 11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.071 11.263 13.698 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.554 11.875 12.957 1.00 0.00 H new