USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=12 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= 0.109 USER MOD Set 1.2: A 113 GLN : amide:sc= -0.401 X(o=-0.29,f=-0.61) USER MOD Single : A 32 TYR OH : rot 150:sc= -0.325 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 45 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.29) USER MOD Single : A 46 GLN : amide:sc= -0.96 K(o=-0.96,f=-1.8) USER MOD Single : A 54 MET CE :methyl -116:sc= -10.1! (180deg=-11.9!) USER MOD Single : A 57 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.395) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= -0.0484 (180deg=-0.0608) USER MOD Single : A 103 MET CE :methyl -122:sc= -5.81! (180deg=-9.99!) USER MOD Single : A 115 MET CE :methyl -154:sc= -0.386 (180deg=-1.28) USER MOD Single : A 123 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.45) USER MOD Single : A 124 LYS NZ :NH3+ 172:sc= -0.461 (180deg=-0.576) USER MOD Single : A 128 LYS NZ :NH3+ -165:sc= -0.22 (180deg=-0.688) USER MOD Single : A 129 THR OG1 : rot -66:sc= -0.866 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.089 12.488 8.834 1.00 0.00 N ATOM 508 CA ASP A 31 8.232 11.721 9.316 1.00 0.00 C ATOM 509 C ASP A 31 8.018 10.230 9.085 1.00 0.00 C ATOM 510 O ASP A 31 8.927 9.519 8.659 1.00 0.00 O ATOM 511 CB ASP A 31 8.463 11.991 10.804 1.00 0.00 C ATOM 512 CG ASP A 31 9.254 13.260 11.047 1.00 0.00 C ATOM 513 OD1 ASP A 31 8.807 14.335 10.595 1.00 0.00 O ATOM 514 OD2 ASP A 31 10.323 13.180 11.688 1.00 0.00 O ATOM 0 HA ASP A 31 9.113 12.036 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.501 12.064 11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.992 11.147 11.245 1.00 0.00 H new ATOM 519 N TYR A 32 6.806 9.766 9.368 1.00 0.00 N ATOM 520 CA TYR A 32 6.460 8.360 9.192 1.00 0.00 C ATOM 521 C TYR A 32 5.579 8.171 7.965 1.00 0.00 C ATOM 522 O TYR A 32 5.118 9.142 7.365 1.00 0.00 O ATOM 523 CB TYR A 32 5.737 7.832 10.428 1.00 0.00 C ATOM 524 CG TYR A 32 6.661 7.446 11.559 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.706 6.550 11.360 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.481 7.974 12.830 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.543 6.192 12.399 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.313 7.620 13.873 1.00 0.00 C ATOM 529 CZ TYR A 32 8.343 6.729 13.654 1.00 0.00 C ATOM 530 OH TYR A 32 9.174 6.374 14.691 1.00 0.00 O ATOM 0 H TYR A 32 6.044 10.345 9.721 1.00 0.00 H new ATOM 0 HA TYR A 32 7.384 7.800 9.051 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.042 8.593 10.783 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.142 6.964 10.146 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.865 6.128 10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.677 8.673 13.006 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.350 5.495 12.230 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.158 8.039 14.856 1.00 0.00 H new ATOM 0 HH TYR A 32 9.242 7.118 15.325 1.00 0.00 H new ATOM 540 N GLY A 33 5.344 6.918 7.595 1.00 0.00 N ATOM 541 CA GLY A 33 4.515 6.634 6.443 1.00 0.00 C ATOM 542 C GLY A 33 3.913 5.243 6.478 1.00 0.00 C ATOM 543 O GLY A 33 4.605 4.265 6.757 1.00 0.00 O ATOM 0 H GLY A 33 5.713 6.096 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.713 7.370 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.111 6.744 5.537 1.00 0.00 H new ATOM 547 N LEU A 34 2.620 5.156 6.182 1.00 0.00 N ATOM 548 CA LEU A 34 1.922 3.876 6.165 1.00 0.00 C ATOM 549 C LEU A 34 1.979 3.278 4.767 1.00 0.00 C ATOM 550 O LEU A 34 1.452 3.853 3.815 1.00 0.00 O ATOM 551 CB LEU A 34 0.464 4.059 6.600 1.00 0.00 C ATOM 552 CG LEU A 34 -0.245 2.796 7.103 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.750 1.970 5.931 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.675 1.966 7.988 1.00 0.00 C ATOM 0 H LEU A 34 2.034 5.958 5.950 1.00 0.00 H new ATOM 0 HA LEU A 34 2.411 3.198 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.431 4.810 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.100 4.458 5.757 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.100 3.104 7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.251 1.077 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.453 2.562 5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.091 1.678 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.146 1.077 8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.556 1.668 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.983 2.559 8.849 1.00 0.00 H new ATOM 566 N VAL A 35 2.637 2.133 4.643 1.00 0.00 N ATOM 567 CA VAL A 35 2.778 1.481 3.350 1.00 0.00 C ATOM 568 C VAL A 35 1.843 0.290 3.203 1.00 0.00 C ATOM 569 O VAL A 35 1.599 -0.451 4.155 1.00 0.00 O ATOM 570 CB VAL A 35 4.224 1.001 3.114 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.701 0.155 4.283 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.327 0.220 1.811 1.00 0.00 C ATOM 0 H VAL A 35 3.079 1.639 5.418 1.00 0.00 H new ATOM 0 HA VAL A 35 2.515 2.233 2.606 1.00 0.00 H new ATOM 0 HB VAL A 35 4.867 1.878 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.723 -0.175 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.669 0.747 5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.053 -0.715 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.356 -0.109 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.671 -0.649 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.028 0.858 0.980 1.00 0.00 H new ATOM 582 N ALA A 36 1.352 0.101 1.986 1.00 0.00 N ATOM 583 CA ALA A 36 0.474 -1.012 1.677 1.00 0.00 C ATOM 584 C ALA A 36 1.285 -2.148 1.071 1.00 0.00 C ATOM 585 O ALA A 36 1.781 -2.035 -0.049 1.00 0.00 O ATOM 586 CB ALA A 36 -0.624 -0.571 0.722 1.00 0.00 C ATOM 0 H ALA A 36 1.551 0.711 1.193 1.00 0.00 H new ATOM 0 HA ALA A 36 0.004 -1.363 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.274 -1.417 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.209 0.225 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.177 -0.205 -0.202 1.00 0.00 H new ATOM 592 N LEU A 37 1.435 -3.232 1.826 1.00 0.00 N ATOM 593 CA LEU A 37 2.208 -4.384 1.371 1.00 0.00 C ATOM 594 C LEU A 37 1.398 -5.284 0.439 1.00 0.00 C ATOM 595 O LEU A 37 1.870 -6.343 0.026 1.00 0.00 O ATOM 596 CB LEU A 37 2.696 -5.194 2.572 1.00 0.00 C ATOM 597 CG LEU A 37 3.268 -4.363 3.721 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.235 -5.154 5.019 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.685 -3.916 3.399 1.00 0.00 C ATOM 0 H LEU A 37 1.031 -3.337 2.757 1.00 0.00 H new ATOM 0 HA LEU A 37 3.061 -4.004 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.865 -5.789 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.460 -5.893 2.233 1.00 0.00 H new ATOM 0 HG LEU A 37 2.649 -3.475 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.646 -4.547 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.205 -5.423 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.830 -6.060 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.077 -3.326 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.317 -4.791 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.678 -3.310 2.493 1.00 0.00 H new ATOM 611 N GLU A 38 0.180 -4.866 0.106 1.00 0.00 N ATOM 612 CA GLU A 38 -0.675 -5.650 -0.776 1.00 0.00 C ATOM 613 C GLU A 38 -1.555 -4.742 -1.633 1.00 0.00 C ATOM 614 O GLU A 38 -1.936 -3.652 -1.207 1.00 0.00 O ATOM 615 CB GLU A 38 -1.545 -6.603 0.045 1.00 0.00 C ATOM 616 CG GLU A 38 -1.191 -8.069 -0.147 1.00 0.00 C ATOM 617 CD GLU A 38 -2.414 -8.964 -0.186 1.00 0.00 C ATOM 618 OE1 GLU A 38 -3.160 -8.907 -1.185 1.00 0.00 O ATOM 619 OE2 GLU A 38 -2.625 -9.723 0.785 1.00 0.00 O ATOM 0 H GLU A 38 -0.234 -3.993 0.432 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.037 -6.232 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.449 -6.350 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.590 -6.452 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.631 -8.185 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.536 -8.390 0.663 1.00 0.00 H new ATOM 626 N PRO A 39 -1.890 -5.183 -2.857 1.00 0.00 N ATOM 627 CA PRO A 39 -2.729 -4.406 -3.772 1.00 0.00 C ATOM 628 C PRO A 39 -4.195 -4.410 -3.351 1.00 0.00 C ATOM 629 O PRO A 39 -4.773 -5.465 -3.090 1.00 0.00 O ATOM 630 CB PRO A 39 -2.555 -5.130 -5.107 1.00 0.00 C ATOM 631 CG PRO A 39 -2.255 -6.540 -4.732 1.00 0.00 C ATOM 632 CD PRO A 39 -1.479 -6.473 -3.444 1.00 0.00 C ATOM 0 HA PRO A 39 -2.442 -3.355 -3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.458 -5.065 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.745 -4.694 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.173 -7.113 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.676 -7.036 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.721 -7.308 -2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.404 -6.508 -3.621 1.00 0.00 H new ATOM 640 N ALA A 40 -4.793 -3.224 -3.280 1.00 0.00 N ATOM 641 CA ALA A 40 -6.190 -3.101 -2.885 1.00 0.00 C ATOM 642 C ALA A 40 -6.768 -1.750 -3.297 1.00 0.00 C ATOM 643 O ALA A 40 -6.044 -0.865 -3.752 1.00 0.00 O ATOM 644 CB ALA A 40 -6.332 -3.301 -1.384 1.00 0.00 C ATOM 0 H ALA A 40 -4.333 -2.338 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.754 -3.877 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.381 -3.207 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.971 -4.293 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.746 -2.547 -0.859 1.00 0.00 H new ATOM 650 N TRP A 41 -8.079 -1.601 -3.129 1.00 0.00 N ATOM 651 CA TRP A 41 -8.762 -0.361 -3.478 1.00 0.00 C ATOM 652 C TRP A 41 -9.203 0.383 -2.222 1.00 0.00 C ATOM 653 O TRP A 41 -9.994 -0.130 -1.431 1.00 0.00 O ATOM 654 CB TRP A 41 -9.975 -0.653 -4.363 1.00 0.00 C ATOM 655 CG TRP A 41 -9.617 -1.277 -5.677 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.547 -0.967 -6.465 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.331 -2.315 -6.357 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.548 -1.751 -7.594 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.635 -2.586 -7.551 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.489 -3.043 -6.074 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.059 -3.554 -8.458 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.911 -4.002 -6.974 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.197 -4.251 -8.154 1.00 0.00 C ATOM 0 H TRP A 41 -8.690 -2.326 -2.752 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.064 0.269 -4.029 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.655 -1.316 -3.828 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.514 0.276 -4.546 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.807 -0.215 -6.235 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.854 -1.717 -8.341 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.045 -2.859 -5.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.510 -3.748 -9.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.806 -4.569 -6.765 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.552 -5.008 -8.837 1.00 0.00 H new ATOM 674 N ILE A 42 -8.686 1.594 -2.042 1.00 0.00 N ATOM 675 CA ILE A 42 -9.027 2.404 -0.878 1.00 0.00 C ATOM 676 C ILE A 42 -10.187 3.346 -1.182 1.00 0.00 C ATOM 677 O ILE A 42 -10.107 4.176 -2.087 1.00 0.00 O ATOM 678 CB ILE A 42 -7.821 3.233 -0.396 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.587 2.340 -0.253 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.141 3.918 0.923 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.757 1.233 0.765 1.00 0.00 C ATOM 0 H ILE A 42 -8.030 2.036 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.322 1.712 -0.089 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.607 4.002 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.353 1.899 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.734 2.956 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.279 4.499 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.996 4.580 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.378 3.166 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.844 0.640 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.960 1.667 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.590 0.594 0.472 1.00 0.00 H new ATOM 693 N THR A 43 -11.267 3.209 -0.418 1.00 0.00 N ATOM 694 CA THR A 43 -12.447 4.045 -0.601 1.00 0.00 C ATOM 695 C THR A 43 -12.246 5.420 0.023 1.00 0.00 C ATOM 696 O THR A 43 -11.280 5.648 0.752 1.00 0.00 O ATOM 697 CB THR A 43 -13.674 3.375 0.018 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.310 2.591 1.142 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.413 2.482 -0.950 1.00 0.00 C ATOM 0 H THR A 43 -11.348 2.525 0.335 1.00 0.00 H new ATOM 0 HA THR A 43 -12.605 4.169 -1.672 1.00 0.00 H new ATOM 0 HB THR A 43 -14.333 4.192 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.111 2.173 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.273 2.036 -0.450 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.753 3.071 -1.801 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.747 1.693 -1.298 1.00 0.00 H new ATOM 707 N ALA A 44 -13.168 6.331 -0.264 1.00 0.00 N ATOM 708 CA ALA A 44 -13.096 7.682 0.272 1.00 0.00 C ATOM 709 C ALA A 44 -13.106 7.661 1.795 1.00 0.00 C ATOM 710 O ALA A 44 -12.338 8.374 2.441 1.00 0.00 O ATOM 711 CB ALA A 44 -14.250 8.521 -0.255 1.00 0.00 C ATOM 0 H ALA A 44 -13.974 6.157 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.159 8.131 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.183 9.529 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.199 8.567 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.195 8.069 0.046 1.00 0.00 H new ATOM 717 N GLN A 45 -13.983 6.839 2.364 1.00 0.00 N ATOM 718 CA GLN A 45 -14.107 6.715 3.786 1.00 0.00 C ATOM 719 C GLN A 45 -12.801 6.277 4.437 1.00 0.00 C ATOM 720 O GLN A 45 -12.441 6.764 5.498 1.00 0.00 O ATOM 721 CB GLN A 45 -15.200 5.705 4.062 1.00 0.00 C ATOM 722 CG GLN A 45 -16.386 6.297 4.778 1.00 0.00 C ATOM 723 CD GLN A 45 -16.535 5.790 6.199 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.434 4.591 6.457 1.00 0.00 O ATOM 725 NE2 GLN A 45 -16.776 6.705 7.131 1.00 0.00 N ATOM 0 H GLN A 45 -14.623 6.245 1.837 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.355 7.686 4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.532 5.271 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.791 4.891 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.289 7.383 4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.293 6.066 4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.852 7.689 6.872 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.885 6.424 8.105 1.00 0.00 H new ATOM 734 N GLN A 46 -12.094 5.355 3.803 1.00 0.00 N ATOM 735 CA GLN A 46 -10.842 4.863 4.350 1.00 0.00 C ATOM 736 C GLN A 46 -9.844 6.001 4.536 1.00 0.00 C ATOM 737 O GLN A 46 -9.054 5.999 5.480 1.00 0.00 O ATOM 738 CB GLN A 46 -10.258 3.792 3.429 1.00 0.00 C ATOM 739 CG GLN A 46 -11.150 2.570 3.276 1.00 0.00 C ATOM 740 CD GLN A 46 -10.729 1.422 4.173 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.191 1.634 5.259 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.971 0.198 3.719 1.00 0.00 N ATOM 0 H GLN A 46 -12.365 4.935 2.914 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.041 4.425 5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.080 4.227 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.289 3.478 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.179 2.846 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.132 2.240 2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.420 0.070 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.708 -0.614 4.277 1.00 0.00 H new ATOM 751 N ILE A 47 -9.885 6.971 3.631 1.00 0.00 N ATOM 752 CA ILE A 47 -8.983 8.114 3.700 1.00 0.00 C ATOM 753 C ILE A 47 -9.341 9.046 4.857 1.00 0.00 C ATOM 754 O ILE A 47 -8.479 9.420 5.651 1.00 0.00 O ATOM 755 CB ILE A 47 -8.995 8.918 2.384 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.786 7.987 1.188 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.924 9.998 2.413 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.275 8.566 -0.121 1.00 0.00 C ATOM 0 H ILE A 47 -10.532 6.989 2.842 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.984 7.711 3.867 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.967 9.399 2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.725 7.755 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.303 7.046 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.945 10.557 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.114 10.676 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.945 9.536 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.095 7.852 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.343 8.772 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.740 9.492 -0.332 1.00 0.00 H new ATOM 770 N GLU A 48 -10.614 9.423 4.943 1.00 0.00 N ATOM 771 CA GLU A 48 -11.076 10.320 6.000 1.00 0.00 C ATOM 772 C GLU A 48 -11.370 9.560 7.292 1.00 0.00 C ATOM 773 O GLU A 48 -10.961 9.978 8.375 1.00 0.00 O ATOM 774 CB GLU A 48 -12.326 11.073 5.544 1.00 0.00 C ATOM 775 CG GLU A 48 -12.407 12.496 6.072 1.00 0.00 C ATOM 776 CD GLU A 48 -12.873 13.483 5.020 1.00 0.00 C ATOM 777 OE1 GLU A 48 -13.703 13.097 4.170 1.00 0.00 O ATOM 778 OE2 GLU A 48 -12.409 14.643 5.046 1.00 0.00 O ATOM 0 H GLU A 48 -11.343 9.123 4.296 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.277 11.033 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.348 11.097 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.210 10.523 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.090 12.526 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.427 12.799 6.440 1.00 0.00 H new ATOM 785 N ALA A 49 -12.082 8.444 7.169 1.00 0.00 N ATOM 786 CA ALA A 49 -12.435 7.626 8.327 1.00 0.00 C ATOM 787 C ALA A 49 -11.193 7.227 9.117 1.00 0.00 C ATOM 788 O ALA A 49 -11.151 7.369 10.339 1.00 0.00 O ATOM 789 CB ALA A 49 -13.208 6.384 7.890 1.00 0.00 C ATOM 0 H ALA A 49 -12.427 8.084 6.279 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.073 8.224 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.462 5.787 8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.122 6.686 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.592 5.792 7.213 1.00 0.00 H new ATOM 795 N ALA A 50 -10.183 6.731 8.411 1.00 0.00 N ATOM 796 CA ALA A 50 -8.940 6.317 9.047 1.00 0.00 C ATOM 797 C ALA A 50 -8.231 7.509 9.679 1.00 0.00 C ATOM 798 O ALA A 50 -7.684 7.409 10.777 1.00 0.00 O ATOM 799 CB ALA A 50 -8.031 5.633 8.037 1.00 0.00 C ATOM 0 H ALA A 50 -10.202 6.606 7.399 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.181 5.606 9.837 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.106 5.329 8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.533 4.754 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.802 6.325 7.227 1.00 0.00 H new ATOM 805 N ARG A 51 -8.248 8.639 8.978 1.00 0.00 N ATOM 806 CA ARG A 51 -7.610 9.853 9.472 1.00 0.00 C ATOM 807 C ARG A 51 -8.214 10.278 10.806 1.00 0.00 C ATOM 808 O ARG A 51 -7.497 10.661 11.730 1.00 0.00 O ATOM 809 CB ARG A 51 -7.748 10.982 8.447 1.00 0.00 C ATOM 810 CG ARG A 51 -6.428 11.656 8.105 1.00 0.00 C ATOM 811 CD ARG A 51 -6.644 13.060 7.567 1.00 0.00 C ATOM 812 NE ARG A 51 -7.557 13.076 6.427 1.00 0.00 N ATOM 813 CZ ARG A 51 -8.163 14.172 5.977 1.00 0.00 C ATOM 814 NH1 ARG A 51 -7.956 15.343 6.568 1.00 0.00 N ATOM 815 NH2 ARG A 51 -8.977 14.098 4.934 1.00 0.00 N ATOM 0 H ARG A 51 -8.696 8.738 8.067 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.551 9.643 9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.189 10.581 7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.440 11.731 8.834 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.799 11.698 8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.894 11.060 7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.042 13.694 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.686 13.485 7.270 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.741 12.195 5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.330 15.405 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.423 16.180 6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.139 13.201 4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.442 14.938 4.589 1.00 0.00 H new ATOM 829 N VAL A 52 -9.538 10.205 10.900 1.00 0.00 N ATOM 830 CA VAL A 52 -10.238 10.579 12.123 1.00 0.00 C ATOM 831 C VAL A 52 -9.753 9.746 13.306 1.00 0.00 C ATOM 832 O VAL A 52 -9.457 10.281 14.375 1.00 0.00 O ATOM 833 CB VAL A 52 -11.763 10.403 11.975 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.483 10.903 13.218 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.264 11.123 10.732 1.00 0.00 C ATOM 0 H VAL A 52 -10.147 9.891 10.144 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.019 11.631 12.306 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.979 9.340 11.863 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.558 10.770 13.094 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.145 10.337 14.086 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.263 11.960 13.366 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.342 10.988 10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.036 12.186 10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.773 10.711 9.850 1.00 0.00 H new ATOM 845 N ALA A 53 -9.671 8.436 13.104 1.00 0.00 N ATOM 846 CA ALA A 53 -9.218 7.529 14.151 1.00 0.00 C ATOM 847 C ALA A 53 -7.791 7.853 14.576 1.00 0.00 C ATOM 848 O ALA A 53 -7.451 7.783 15.756 1.00 0.00 O ATOM 849 CB ALA A 53 -9.315 6.087 13.674 1.00 0.00 C ATOM 0 H ALA A 53 -9.912 7.979 12.225 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.865 7.659 15.018 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.974 5.419 14.465 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.350 5.855 13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.690 5.953 12.791 1.00 0.00 H new ATOM 855 N MET A 54 -6.960 8.208 13.602 1.00 0.00 N ATOM 856 CA MET A 54 -5.565 8.544 13.867 1.00 0.00 C ATOM 857 C MET A 54 -5.450 9.882 14.592 1.00 0.00 C ATOM 858 O MET A 54 -4.745 9.996 15.595 1.00 0.00 O ATOM 859 CB MET A 54 -4.776 8.589 12.559 1.00 0.00 C ATOM 860 CG MET A 54 -4.654 7.236 11.880 1.00 0.00 C ATOM 861 SD MET A 54 -3.373 7.207 10.612 1.00 0.00 S ATOM 862 CE MET A 54 -4.278 7.843 9.203 1.00 0.00 C ATOM 0 H MET A 54 -7.229 8.271 12.620 1.00 0.00 H new ATOM 0 HA MET A 54 -5.148 7.770 14.511 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.259 9.288 11.876 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.778 8.978 12.759 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.434 6.476 12.630 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.611 6.972 11.430 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.339 7.074 8.433 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.284 8.126 9.514 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.763 8.717 8.804 1.00 0.00 H new ATOM 872 N VAL A 55 -6.144 10.893 14.077 1.00 0.00 N ATOM 873 CA VAL A 55 -6.116 12.223 14.673 1.00 0.00 C ATOM 874 C VAL A 55 -6.549 12.182 16.135 1.00 0.00 C ATOM 875 O VAL A 55 -6.029 12.924 16.969 1.00 0.00 O ATOM 876 CB VAL A 55 -7.028 13.201 13.906 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.908 14.608 14.474 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.695 13.190 12.421 1.00 0.00 C ATOM 0 H VAL A 55 -6.733 10.815 13.248 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.086 12.574 14.613 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.060 12.873 14.028 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.560 15.282 13.918 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.202 14.603 15.524 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.876 14.948 14.388 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.349 13.886 11.896 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.657 13.490 12.279 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.840 12.186 12.023 1.00 0.00 H new ATOM 888 N ARG A 56 -7.504 11.312 16.440 1.00 0.00 N ATOM 889 CA ARG A 56 -8.010 11.174 17.798 1.00 0.00 C ATOM 890 C ARG A 56 -7.015 10.424 18.682 1.00 0.00 C ATOM 891 O ARG A 56 -6.959 10.643 19.892 1.00 0.00 O ATOM 892 CB ARG A 56 -9.352 10.442 17.787 1.00 0.00 C ATOM 893 CG ARG A 56 -10.535 11.348 17.487 1.00 0.00 C ATOM 894 CD ARG A 56 -11.560 10.652 16.607 1.00 0.00 C ATOM 895 NE ARG A 56 -12.523 9.882 17.391 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.542 10.425 18.053 1.00 0.00 C ATOM 897 NH1 ARG A 56 -13.732 11.738 18.032 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.372 9.653 18.740 1.00 0.00 N ATOM 0 H ARG A 56 -7.944 10.690 15.762 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.148 12.173 18.211 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.316 9.646 17.043 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.505 9.966 18.756 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.005 11.656 18.421 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.185 12.254 16.993 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.090 11.395 16.011 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.048 9.989 15.909 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.408 8.869 17.433 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.095 12.337 17.507 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.515 12.148 18.541 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.230 8.643 18.761 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.153 10.069 19.247 1.00 0.00 H new ATOM 912 N HIS A 57 -6.239 9.535 18.070 1.00 0.00 N ATOM 913 CA HIS A 57 -5.252 8.749 18.804 1.00 0.00 C ATOM 914 C HIS A 57 -4.178 9.642 19.418 1.00 0.00 C ATOM 915 O HIS A 57 -3.937 9.597 20.624 1.00 0.00 O ATOM 916 CB HIS A 57 -4.603 7.714 17.884 1.00 0.00 C ATOM 917 CG HIS A 57 -3.764 6.712 18.614 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.285 5.810 19.518 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.431 6.476 18.575 1.00 0.00 C ATOM 920 CE1 HIS A 57 -3.309 5.063 20.003 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.175 5.447 19.446 1.00 0.00 N ATOM 0 H HIS A 57 -6.274 9.341 17.069 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.772 8.235 19.612 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.383 7.190 17.332 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.984 8.229 17.150 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.270 5.732 19.772 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.705 7.000 17.971 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.420 4.273 20.731 1.00 0.00 H new ATOM 930 N PHE A 58 -3.531 10.450 18.582 1.00 0.00 N ATOM 931 CA PHE A 58 -2.479 11.351 19.050 1.00 0.00 C ATOM 932 C PHE A 58 -2.979 12.222 20.200 1.00 0.00 C ATOM 933 O PHE A 58 -3.572 13.278 19.980 1.00 0.00 O ATOM 934 CB PHE A 58 -1.977 12.237 17.905 1.00 0.00 C ATOM 935 CG PHE A 58 -1.818 11.512 16.597 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.818 10.568 16.425 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.673 11.777 15.539 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.673 9.903 15.223 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.532 11.115 14.334 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.533 10.176 14.176 1.00 0.00 C ATOM 0 H PHE A 58 -3.715 10.500 17.580 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.652 10.739 19.411 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.673 13.065 17.768 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.018 12.670 18.188 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.144 10.350 17.240 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.458 12.509 15.657 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.111 9.171 15.101 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.203 11.332 13.516 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.423 9.656 13.236 1.00 0.00 H new ATOM 950 N ARG A 59 -2.737 11.769 21.427 1.00 0.00 N ATOM 951 CA ARG A 59 -3.164 12.502 22.614 1.00 0.00 C ATOM 952 C ARG A 59 -2.592 13.917 22.621 1.00 0.00 C ATOM 953 O ARG A 59 -3.239 14.856 23.083 1.00 0.00 O ATOM 954 CB ARG A 59 -2.731 11.760 23.879 1.00 0.00 C ATOM 955 CG ARG A 59 -3.437 10.429 24.075 1.00 0.00 C ATOM 956 CD ARG A 59 -2.486 9.365 24.600 1.00 0.00 C ATOM 957 NE ARG A 59 -1.953 8.528 23.526 1.00 0.00 N ATOM 958 CZ ARG A 59 -0.861 7.777 23.645 1.00 0.00 C ATOM 959 NH1 ARG A 59 -0.184 7.754 24.785 1.00 0.00 N ATOM 960 NH2 ARG A 59 -0.446 7.046 22.619 1.00 0.00 N ATOM 0 H ARG A 59 -2.247 10.897 21.625 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.252 12.571 22.593 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.655 11.589 23.840 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.921 12.394 24.745 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.265 10.555 24.773 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.865 10.100 23.128 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.662 9.844 25.129 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.007 8.738 25.323 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.447 8.519 22.634 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.500 8.314 25.577 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.652 7.176 24.870 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.964 7.060 21.740 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.391 6.470 22.709 1.00 0.00 H new ATOM 974 N ARG A 60 -1.375 14.059 22.109 1.00 0.00 N ATOM 975 CA ARG A 60 -0.716 15.360 22.058 1.00 0.00 C ATOM 976 C ARG A 60 -0.871 15.997 20.682 1.00 0.00 C ATOM 977 O ARG A 60 0.017 16.712 20.214 1.00 0.00 O ATOM 978 CB ARG A 60 0.768 15.213 22.405 1.00 0.00 C ATOM 979 CG ARG A 60 1.015 14.546 23.747 1.00 0.00 C ATOM 980 CD ARG A 60 2.499 14.340 24.003 1.00 0.00 C ATOM 981 NE ARG A 60 2.846 14.540 25.408 1.00 0.00 N ATOM 982 CZ ARG A 60 2.435 13.744 26.394 1.00 0.00 C ATOM 983 NH1 ARG A 60 1.666 12.695 26.132 1.00 0.00 N ATOM 984 NH2 ARG A 60 2.797 13.998 27.644 1.00 0.00 N ATOM 0 H ARG A 60 -0.825 13.291 21.724 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.192 16.011 22.791 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.259 14.633 21.624 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.231 16.200 22.408 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.589 15.158 24.542 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.503 13.584 23.776 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.783 13.332 23.700 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.073 15.032 23.386 1.00 0.00 H new ATOM 0 HE ARG A 60 3.437 15.336 25.648 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.387 12.495 25.172 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.354 12.089 26.891 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.390 14.802 27.850 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.483 13.389 28.400 1.00 0.00 H new ATOM 998 N GLY A 61 -2.003 15.736 20.038 1.00 0.00 N ATOM 999 CA GLY A 61 -2.254 16.292 18.722 1.00 0.00 C ATOM 1000 C GLY A 61 -1.360 15.687 17.658 1.00 0.00 C ATOM 1001 O GLY A 61 -0.351 15.056 17.972 1.00 0.00 O ATOM 0 H GLY A 61 -2.752 15.149 20.405 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.297 16.126 18.453 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.100 17.371 18.751 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.729 15.880 16.397 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.940 15.341 15.304 1.00 0.00 C ATOM 1007 C GLY A 62 -1.534 15.658 13.946 1.00 0.00 C ATOM 1008 O GLY A 62 -2.684 16.086 13.847 1.00 0.00 O ATOM 0 H GLY A 62 -2.559 16.399 16.112 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.071 15.744 15.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.859 14.260 15.418 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.745 15.447 12.896 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.195 15.712 11.535 1.00 0.00 C ATOM 1014 C LYS A 63 -0.850 14.545 10.615 1.00 0.00 C ATOM 1015 O LYS A 63 0.154 13.860 10.814 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.554 16.996 11.007 1.00 0.00 C ATOM 1017 CG LYS A 63 0.960 16.916 10.900 1.00 0.00 C ATOM 1018 CD LYS A 63 1.579 18.289 10.696 1.00 0.00 C ATOM 1019 CE LYS A 63 3.097 18.224 10.729 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.719 19.328 9.947 1.00 0.00 N ATOM 0 H LYS A 63 0.209 15.093 12.963 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.278 15.834 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.969 17.223 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.821 17.823 11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.366 16.464 11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.233 16.266 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.252 18.699 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.226 18.968 11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.440 18.274 11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.428 17.265 10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.343 18.928 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.974 19.894 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.274 19.934 10.584 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.686 14.323 9.605 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.464 13.240 8.655 1.00 0.00 C ATOM 1036 C ILE A 64 -1.550 13.742 7.218 1.00 0.00 C ATOM 1037 O ILE A 64 -2.541 14.356 6.823 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.480 12.092 8.838 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.904 11.963 10.303 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.889 10.782 8.335 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.913 10.861 10.545 1.00 0.00 C ATOM 0 H ILE A 64 -2.522 14.878 9.424 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.462 12.860 8.854 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.369 12.324 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.021 11.776 10.914 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.327 12.911 10.635 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.615 9.980 8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.644 10.876 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.985 10.551 8.898 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.168 10.827 11.604 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.813 11.057 9.961 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.486 9.904 10.244 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.510 13.468 6.439 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.472 13.884 5.042 1.00 0.00 C ATOM 1055 C PHE A 65 -0.902 12.739 4.134 1.00 0.00 C ATOM 1056 O PHE A 65 -0.183 11.752 3.981 1.00 0.00 O ATOM 1057 CB PHE A 65 0.934 14.355 4.664 1.00 0.00 C ATOM 1058 CG PHE A 65 1.413 15.526 5.471 1.00 0.00 C ATOM 1059 CD1 PHE A 65 1.814 15.360 6.787 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.464 16.795 4.914 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.256 16.437 7.533 1.00 0.00 C ATOM 1062 CE2 PHE A 65 1.906 17.875 5.655 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.302 17.696 6.965 1.00 0.00 C ATOM 0 H PHE A 65 0.318 12.960 6.751 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.167 14.714 4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.632 13.527 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.946 14.623 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.781 14.378 7.235 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.155 16.941 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.565 16.295 8.558 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.941 18.858 5.209 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.647 18.539 7.545 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.082 12.872 3.538 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.607 11.841 2.651 1.00 0.00 C ATOM 1075 C ILE A 66 -2.249 12.126 1.199 1.00 0.00 C ATOM 1076 O ILE A 66 -2.405 13.249 0.717 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.140 11.710 2.771 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.594 11.959 4.213 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.588 10.334 2.302 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.923 11.054 5.222 1.00 0.00 C ATOM 0 H ILE A 66 -2.692 13.682 3.653 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.146 10.903 2.961 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.602 12.464 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.390 12.997 4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.673 11.821 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.671 10.254 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.299 10.192 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.116 9.568 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.292 11.286 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.148 10.014 4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.845 11.208 5.189 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.771 11.100 0.504 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.391 11.235 -0.897 1.00 0.00 C ATOM 1094 C ARG A 67 -2.380 10.500 -1.798 1.00 0.00 C ATOM 1095 O ARG A 67 -2.593 10.887 -2.948 1.00 0.00 O ATOM 1096 CB ARG A 67 0.023 10.693 -1.118 1.00 0.00 C ATOM 1097 CG ARG A 67 0.898 11.606 -1.963 1.00 0.00 C ATOM 1098 CD ARG A 67 1.160 12.931 -1.265 1.00 0.00 C ATOM 1099 NE ARG A 67 0.347 14.011 -1.817 1.00 0.00 N ATOM 1100 CZ ARG A 67 0.563 15.303 -1.572 1.00 0.00 C ATOM 1101 NH1 ARG A 67 1.564 15.677 -0.786 1.00 0.00 N ATOM 1102 NH2 ARG A 67 -0.224 16.221 -2.116 1.00 0.00 N ATOM 0 H ARG A 67 -1.637 10.165 0.888 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.409 12.294 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.500 10.540 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.042 9.717 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.846 11.111 -2.173 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.415 11.789 -2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.950 12.827 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.215 13.188 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.432 13.762 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.173 14.974 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.725 16.667 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.994 15.938 -2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.059 17.210 -1.929 1.00 0.00 H new ATOM 1116 N ILE A 68 -2.983 9.441 -1.267 1.00 0.00 N ATOM 1117 CA ILE A 68 -3.951 8.655 -2.022 1.00 0.00 C ATOM 1118 C ILE A 68 -5.240 9.438 -2.246 1.00 0.00 C ATOM 1119 O ILE A 68 -5.707 10.151 -1.357 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.285 7.332 -1.304 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -4.950 7.607 0.045 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.028 6.496 -1.118 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.444 6.356 0.738 1.00 0.00 C ATOM 0 H ILE A 68 -2.818 9.108 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.493 8.431 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.984 6.771 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.239 8.117 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.789 8.286 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.282 5.566 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.594 6.271 -2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.307 7.052 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.904 6.624 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.179 5.857 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.605 5.684 0.918 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.811 9.301 -3.437 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.048 9.993 -3.775 1.00 0.00 C ATOM 1137 C PHE A 69 -7.929 9.122 -4.671 1.00 0.00 C ATOM 1138 O PHE A 69 -7.448 8.537 -5.640 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.740 11.321 -4.471 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.123 12.526 -3.660 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -6.365 12.910 -2.565 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.241 13.274 -3.993 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -6.716 14.019 -1.818 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -8.597 14.383 -3.249 1.00 0.00 C ATOM 1145 CZ PHE A 69 -7.833 14.756 -2.160 1.00 0.00 C ATOM 0 H PHE A 69 -5.437 8.717 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.590 10.195 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.674 11.367 -4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.266 11.353 -5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.491 12.337 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.841 12.987 -4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.117 14.309 -0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.471 14.957 -3.519 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.109 15.622 -1.577 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.237 9.023 -4.362 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.172 8.216 -5.153 1.00 0.00 C ATOM 1157 C PRO A 70 -10.307 8.730 -6.581 1.00 0.00 C ATOM 1158 O PRO A 70 -10.960 9.744 -6.827 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.506 8.356 -4.406 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.147 8.859 -3.049 1.00 0.00 C ATOM 1161 CD PRO A 70 -9.906 9.681 -3.228 1.00 0.00 C ATOM 0 HA PRO A 70 -9.835 7.184 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.173 9.049 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.025 7.400 -4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.955 9.458 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.972 8.033 -2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.140 10.723 -3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.284 9.674 -2.333 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.356 4.727 -5.684 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.292 4.202 -4.835 1.00 0.00 C ATOM 1541 C VAL A 94 -9.918 4.578 -5.374 1.00 0.00 C ATOM 1542 O VAL A 94 -9.801 5.152 -6.457 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.369 2.666 -4.708 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.387 2.264 -3.653 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.700 2.031 -6.051 1.00 0.00 C ATOM 0 HA VAL A 94 -11.434 4.650 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.392 2.300 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.425 1.177 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.097 2.683 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.370 2.644 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.749 0.948 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.662 2.404 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.926 2.286 -6.775 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.882 4.246 -4.614 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.513 4.542 -5.015 1.00 0.00 C ATOM 1557 C ALA A 95 -6.676 3.268 -5.061 1.00 0.00 C ATOM 1558 O ALA A 95 -6.253 2.755 -4.025 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.890 5.552 -4.063 1.00 0.00 C ATOM 0 H ALA A 95 -8.964 3.771 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.534 4.973 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.867 5.763 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.472 6.474 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.884 5.144 -3.052 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.442 2.760 -6.267 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.660 1.542 -6.444 1.00 0.00 C ATOM 1567 C VAL A 96 -4.265 1.693 -5.847 1.00 0.00 C ATOM 1568 O VAL A 96 -3.584 2.691 -6.079 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.533 1.157 -7.931 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.005 -0.264 -8.071 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.871 1.310 -8.642 1.00 0.00 C ATOM 0 H VAL A 96 -6.783 3.173 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.194 0.749 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.820 1.834 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.922 -0.519 -9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.024 -0.335 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.691 -0.957 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.760 1.033 -9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.609 0.660 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.203 2.346 -8.573 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.851 0.696 -5.072 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.540 0.717 -4.436 1.00 0.00 C ATOM 1583 C VAL A 97 -1.750 -0.549 -4.754 1.00 0.00 C ATOM 1584 O VAL A 97 -2.322 -1.572 -5.129 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.665 0.858 -2.907 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.302 1.103 -2.283 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.633 1.974 -2.549 1.00 0.00 C ATOM 0 H VAL A 97 -4.405 -0.136 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.009 1.581 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.061 -0.075 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.409 1.200 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.643 0.265 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.875 2.020 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.707 2.057 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.271 2.916 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.616 1.750 -2.964 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.431 -0.471 -4.604 1.00 0.00 N ATOM 1598 CA LYS A 98 0.440 -1.610 -4.875 1.00 0.00 C ATOM 1599 C LYS A 98 1.411 -1.846 -3.717 1.00 0.00 C ATOM 1600 O LYS A 98 1.803 -0.907 -3.028 1.00 0.00 O ATOM 1601 CB LYS A 98 1.219 -1.379 -6.173 1.00 0.00 C ATOM 1602 CG LYS A 98 0.839 -2.336 -7.291 1.00 0.00 C ATOM 1603 CD LYS A 98 2.052 -2.744 -8.113 1.00 0.00 C ATOM 1604 CE LYS A 98 3.053 -3.529 -7.280 1.00 0.00 C ATOM 1605 NZ LYS A 98 2.982 -4.990 -7.557 1.00 0.00 N ATOM 0 H LYS A 98 0.058 0.369 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.184 -2.497 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.052 -0.356 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.285 -1.477 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.370 -3.224 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.101 -1.864 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.731 -3.348 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.534 -1.854 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.060 -3.169 -7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.863 -3.351 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.714 -5.484 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.044 -5.349 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.138 -5.159 -8.571 1.00 0.00 H new ATOM 1619 N PRO A 99 1.820 -3.109 -3.494 1.00 0.00 N ATOM 1620 CA PRO A 99 2.756 -3.466 -2.423 1.00 0.00 C ATOM 1621 C PRO A 99 3.946 -2.516 -2.360 1.00 0.00 C ATOM 1622 O PRO A 99 4.736 -2.428 -3.301 1.00 0.00 O ATOM 1623 CB PRO A 99 3.216 -4.888 -2.793 1.00 0.00 C ATOM 1624 CG PRO A 99 2.611 -5.185 -4.130 1.00 0.00 C ATOM 1625 CD PRO A 99 1.416 -4.288 -4.263 1.00 0.00 C ATOM 0 HA PRO A 99 2.289 -3.406 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.304 -4.947 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.886 -5.611 -2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.327 -4.999 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.320 -6.233 -4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.207 -4.042 -5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.515 -4.749 -3.857 1.00 0.00 H new ATOM 1633 N GLY A 100 4.061 -1.798 -1.248 1.00 0.00 N ATOM 1634 CA GLY A 100 5.149 -0.853 -1.084 1.00 0.00 C ATOM 1635 C GLY A 100 4.727 0.562 -1.429 1.00 0.00 C ATOM 1636 O GLY A 100 5.518 1.343 -1.958 1.00 0.00 O ATOM 0 H GLY A 100 3.419 -1.854 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.505 -0.885 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.984 -1.148 -1.719 1.00 0.00 H new ATOM 1640 N ARG A 101 3.471 0.887 -1.136 1.00 0.00 N ATOM 1641 CA ARG A 101 2.933 2.213 -1.426 1.00 0.00 C ATOM 1642 C ARG A 101 2.577 2.965 -0.147 1.00 0.00 C ATOM 1643 O ARG A 101 1.731 2.519 0.629 1.00 0.00 O ATOM 1644 CB ARG A 101 1.685 2.085 -2.296 1.00 0.00 C ATOM 1645 CG ARG A 101 1.330 3.353 -3.054 1.00 0.00 C ATOM 1646 CD ARG A 101 2.057 3.423 -4.384 1.00 0.00 C ATOM 1647 NE ARG A 101 1.428 4.369 -5.303 1.00 0.00 N ATOM 1648 CZ ARG A 101 2.040 4.890 -6.364 1.00 0.00 C ATOM 1649 NH1 ARG A 101 3.295 4.560 -6.644 1.00 0.00 N ATOM 1650 NH2 ARG A 101 1.395 5.743 -7.148 1.00 0.00 N ATOM 0 H ARG A 101 2.806 0.250 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 101 3.703 2.776 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.834 1.276 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.842 1.802 -1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.254 3.389 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.587 4.224 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.093 3.716 -4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.076 2.433 -4.840 1.00 0.00 H new ATOM 0 HE ARG A 101 0.463 4.646 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.796 3.904 -6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.759 4.963 -7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.430 6.000 -6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.863 6.143 -7.961 1.00 0.00 H new ATOM 1664 N VAL A 102 3.211 4.115 0.059 1.00 0.00 N ATOM 1665 CA VAL A 102 2.945 4.934 1.237 1.00 0.00 C ATOM 1666 C VAL A 102 1.702 5.795 1.024 1.00 0.00 C ATOM 1667 O VAL A 102 1.763 6.837 0.372 1.00 0.00 O ATOM 1668 CB VAL A 102 4.138 5.849 1.575 1.00 0.00 C ATOM 1669 CG1 VAL A 102 4.004 6.405 2.985 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.453 5.100 1.416 1.00 0.00 C ATOM 0 H VAL A 102 3.912 4.501 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 102 2.782 4.251 2.070 1.00 0.00 H new ATOM 0 HB VAL A 102 4.136 6.685 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.856 7.049 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.083 6.983 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.977 5.582 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.282 5.765 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.466 4.242 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.554 4.756 0.387 1.00 0.00 H new ATOM 1680 N MET A 103 0.574 5.343 1.563 1.00 0.00 N ATOM 1681 CA MET A 103 -0.688 6.066 1.415 1.00 0.00 C ATOM 1682 C MET A 103 -0.887 7.098 2.525 1.00 0.00 C ATOM 1683 O MET A 103 -1.549 8.116 2.321 1.00 0.00 O ATOM 1684 CB MET A 103 -1.861 5.084 1.404 1.00 0.00 C ATOM 1685 CG MET A 103 -1.787 4.034 2.499 1.00 0.00 C ATOM 1686 SD MET A 103 -1.316 2.409 1.877 1.00 0.00 S ATOM 1687 CE MET A 103 -2.260 1.351 2.970 1.00 0.00 C ATOM 0 H MET A 103 0.506 4.482 2.105 1.00 0.00 H new ATOM 0 HA MET A 103 -0.649 6.600 0.466 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.792 5.642 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.897 4.585 0.436 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.067 4.352 3.253 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.756 3.962 2.993 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.585 0.677 3.497 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.799 1.963 3.693 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.972 0.768 2.386 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.319 6.835 3.698 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.448 7.752 4.829 1.00 0.00 C ATOM 1699 C PHE A 104 0.919 8.168 5.355 1.00 0.00 C ATOM 1700 O PHE A 104 1.896 7.436 5.211 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.256 7.103 5.955 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.731 7.038 5.683 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.253 6.050 4.865 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.594 7.960 6.249 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.610 5.984 4.614 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.952 7.901 6.004 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.462 6.911 5.185 1.00 0.00 C ATOM 0 H PHE A 104 0.233 5.999 3.891 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.971 8.641 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.882 6.093 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.090 7.661 6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.592 5.323 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.201 8.735 6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.004 5.210 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.614 8.627 6.452 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.523 6.862 4.992 1.00 0.00 H new ATOM 1717 N GLU A 105 0.980 9.348 5.966 1.00 0.00 N ATOM 1718 CA GLU A 105 2.229 9.865 6.516 1.00 0.00 C ATOM 1719 C GLU A 105 1.960 10.850 7.649 1.00 0.00 C ATOM 1720 O GLU A 105 1.220 11.818 7.478 1.00 0.00 O ATOM 1721 CB GLU A 105 3.048 10.551 5.420 1.00 0.00 C ATOM 1722 CG GLU A 105 3.500 9.613 4.312 1.00 0.00 C ATOM 1723 CD GLU A 105 2.479 9.494 3.197 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.057 10.541 2.663 1.00 0.00 O ATOM 1725 OE2 GLU A 105 2.101 8.353 2.858 1.00 0.00 O ATOM 0 H GLU A 105 0.178 9.965 6.093 1.00 0.00 H new ATOM 0 HA GLU A 105 2.795 9.023 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.453 11.353 4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.925 11.014 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.443 9.972 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.691 8.625 4.732 1.00 0.00 H new ATOM 1732 N VAL A 106 2.568 10.602 8.806 1.00 0.00 N ATOM 1733 CA VAL A 106 2.391 11.479 9.961 1.00 0.00 C ATOM 1734 C VAL A 106 3.704 12.149 10.347 1.00 0.00 C ATOM 1735 O VAL A 106 4.785 11.651 10.031 1.00 0.00 O ATOM 1736 CB VAL A 106 1.840 10.716 11.180 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.461 10.152 10.879 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.797 9.612 11.606 1.00 0.00 C ATOM 0 H VAL A 106 3.184 9.806 8.969 1.00 0.00 H new ATOM 0 HA VAL A 106 1.667 12.239 9.666 1.00 0.00 H new ATOM 0 HB VAL A 106 1.747 11.418 12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.088 9.616 11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.220 10.967 10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.525 9.467 10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.386 9.087 12.469 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.931 8.909 10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.760 10.048 11.871 1.00 0.00 H new ATOM 1748 N ALA A 107 3.602 13.283 11.032 1.00 0.00 N ATOM 1749 CA ALA A 107 4.781 14.023 11.464 1.00 0.00 C ATOM 1750 C ALA A 107 4.492 14.825 12.727 1.00 0.00 C ATOM 1751 O ALA A 107 3.410 15.395 12.879 1.00 0.00 O ATOM 1752 CB ALA A 107 5.264 14.942 10.352 1.00 0.00 C ATOM 0 H ALA A 107 2.715 13.709 11.300 1.00 0.00 H new ATOM 0 HA ALA A 107 5.567 13.304 11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.145 15.488 10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.519 14.348 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.475 15.649 10.095 1.00 0.00 H new ATOM 1758 N GLY A 108 5.464 14.866 13.630 1.00 0.00 N ATOM 1759 CA GLY A 108 5.296 15.604 14.868 1.00 0.00 C ATOM 1760 C GLY A 108 4.874 14.718 16.024 1.00 0.00 C ATOM 1761 O GLY A 108 5.133 15.041 17.184 1.00 0.00 O ATOM 0 H GLY A 108 6.366 14.401 13.527 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.233 16.101 15.120 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.549 16.385 14.722 1.00 0.00 H new ATOM 1765 N VAL A 109 4.222 13.603 15.714 1.00 0.00 N ATOM 1766 CA VAL A 109 3.765 12.678 16.744 1.00 0.00 C ATOM 1767 C VAL A 109 4.852 11.672 17.106 1.00 0.00 C ATOM 1768 O VAL A 109 5.730 11.373 16.296 1.00 0.00 O ATOM 1769 CB VAL A 109 2.498 11.920 16.303 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.358 12.898 16.059 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.772 11.079 15.063 1.00 0.00 C ATOM 0 H VAL A 109 3.999 13.318 14.760 1.00 0.00 H new ATOM 0 HA VAL A 109 3.528 13.279 17.622 1.00 0.00 H new ATOM 0 HB VAL A 109 2.204 11.242 17.104 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.469 12.350 15.748 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.145 13.445 16.978 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.643 13.601 15.276 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.863 10.554 14.771 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.094 11.727 14.248 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.556 10.354 15.281 1.00 0.00 H new ATOM 1781 N THR A 110 4.788 11.153 18.328 1.00 0.00 N ATOM 1782 CA THR A 110 5.768 10.181 18.799 1.00 0.00 C ATOM 1783 C THR A 110 5.648 8.869 18.031 1.00 0.00 C ATOM 1784 O THR A 110 4.645 8.621 17.362 1.00 0.00 O ATOM 1785 CB THR A 110 5.589 9.928 20.297 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.359 9.271 20.550 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.613 11.194 21.124 1.00 0.00 C ATOM 0 H THR A 110 4.067 11.389 19.010 1.00 0.00 H new ATOM 0 HA THR A 110 6.762 10.593 18.624 1.00 0.00 H new ATOM 0 HB THR A 110 6.436 9.307 20.590 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.263 9.117 21.513 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.481 10.944 22.177 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.569 11.699 20.988 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.806 11.853 20.804 1.00 0.00 H new ATOM 1795 N GLU A 111 6.676 8.034 18.131 1.00 0.00 N ATOM 1796 CA GLU A 111 6.689 6.749 17.445 1.00 0.00 C ATOM 1797 C GLU A 111 5.524 5.873 17.897 1.00 0.00 C ATOM 1798 O GLU A 111 4.923 5.161 17.092 1.00 0.00 O ATOM 1799 CB GLU A 111 8.013 6.025 17.696 1.00 0.00 C ATOM 1800 CG GLU A 111 8.155 4.727 16.920 1.00 0.00 C ATOM 1801 CD GLU A 111 9.589 4.235 16.865 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.493 5.065 16.631 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.807 3.021 17.057 1.00 0.00 O ATOM 0 H GLU A 111 7.513 8.225 18.682 1.00 0.00 H new ATOM 0 HA GLU A 111 6.582 6.938 16.377 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.836 6.689 17.431 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.105 5.813 18.761 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.530 3.962 17.381 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.785 4.872 15.905 1.00 0.00 H new ATOM 1810 N GLU A 112 5.212 5.927 19.187 1.00 0.00 N ATOM 1811 CA GLU A 112 4.121 5.134 19.740 1.00 0.00 C ATOM 1812 C GLU A 112 2.777 5.578 19.170 1.00 0.00 C ATOM 1813 O GLU A 112 1.960 4.751 18.766 1.00 0.00 O ATOM 1814 CB GLU A 112 4.103 5.247 21.266 1.00 0.00 C ATOM 1815 CG GLU A 112 4.924 4.177 21.965 1.00 0.00 C ATOM 1816 CD GLU A 112 4.299 2.800 21.859 1.00 0.00 C ATOM 1817 OE1 GLU A 112 4.342 2.212 20.758 1.00 0.00 O ATOM 1818 OE2 GLU A 112 3.766 2.309 22.877 1.00 0.00 O ATOM 0 H GLU A 112 5.698 6.510 19.868 1.00 0.00 H new ATOM 0 HA GLU A 112 4.286 4.093 19.460 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.480 6.228 21.554 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.072 5.187 21.614 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.924 4.152 21.533 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.037 4.440 23.017 1.00 0.00 H new ATOM 1825 N GLN A 113 2.556 6.888 19.139 1.00 0.00 N ATOM 1826 CA GLN A 113 1.311 7.439 18.617 1.00 0.00 C ATOM 1827 C GLN A 113 1.283 7.374 17.093 1.00 0.00 C ATOM 1828 O GLN A 113 0.235 7.138 16.490 1.00 0.00 O ATOM 1829 CB GLN A 113 1.132 8.885 19.082 1.00 0.00 C ATOM 1830 CG GLN A 113 1.303 9.067 20.581 1.00 0.00 C ATOM 1831 CD GLN A 113 1.290 10.525 20.996 1.00 0.00 C ATOM 1832 OE1 GLN A 113 0.255 11.061 21.393 1.00 0.00 O ATOM 1833 NE2 GLN A 113 2.444 11.176 20.905 1.00 0.00 N ATOM 0 H GLN A 113 3.222 7.587 19.469 1.00 0.00 H new ATOM 0 HA GLN A 113 0.488 6.838 19.003 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.853 9.517 18.563 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.139 9.231 18.793 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.504 8.538 21.101 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.243 8.612 20.894 1.00 0.00 H new ATOM 0 HE21 GLN A 113 3.277 10.692 20.571 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.497 12.160 21.169 1.00 0.00 H new ATOM 1842 N ALA A 114 2.440 7.587 16.478 1.00 0.00 N ATOM 1843 CA ALA A 114 2.551 7.557 15.025 1.00 0.00 C ATOM 1844 C ALA A 114 2.425 6.135 14.488 1.00 0.00 C ATOM 1845 O ALA A 114 1.674 5.883 13.545 1.00 0.00 O ATOM 1846 CB ALA A 114 3.873 8.169 14.592 1.00 0.00 C ATOM 0 H ALA A 114 3.315 7.783 16.964 1.00 0.00 H new ATOM 0 HA ALA A 114 1.731 8.144 14.610 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.948 8.142 13.505 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.925 9.203 14.934 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.696 7.601 15.026 1.00 0.00 H new ATOM 1852 N MET A 115 3.164 5.210 15.090 1.00 0.00 N ATOM 1853 CA MET A 115 3.133 3.814 14.669 1.00 0.00 C ATOM 1854 C MET A 115 1.741 3.225 14.854 1.00 0.00 C ATOM 1855 O MET A 115 1.223 2.538 13.973 1.00 0.00 O ATOM 1856 CB MET A 115 4.158 2.999 15.459 1.00 0.00 C ATOM 1857 CG MET A 115 5.599 3.356 15.133 1.00 0.00 C ATOM 1858 SD MET A 115 6.465 2.036 14.261 1.00 0.00 S ATOM 1859 CE MET A 115 7.539 2.987 13.188 1.00 0.00 C ATOM 0 H MET A 115 3.792 5.401 15.871 1.00 0.00 H new ATOM 0 HA MET A 115 3.387 3.771 13.610 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.987 3.150 16.525 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.000 1.939 15.258 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.616 4.260 14.524 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.130 3.584 16.057 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.783 2.399 12.304 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.032 3.903 12.886 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.456 3.238 13.721 1.00 0.00 H new ATOM 1869 N GLU A 116 1.137 3.499 16.006 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.198 2.997 16.304 1.00 0.00 C ATOM 1871 C GLU A 116 -1.229 3.619 15.369 1.00 0.00 C ATOM 1872 O GLU A 116 -2.051 2.916 14.782 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.566 3.294 17.757 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.548 2.298 18.353 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.211 1.933 19.785 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.009 1.895 20.122 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.151 1.682 20.570 1.00 0.00 O ATOM 0 H GLU A 116 1.551 4.065 16.747 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.197 1.918 16.152 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.343 3.300 18.359 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.995 4.294 17.817 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.553 2.718 18.316 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.557 1.394 17.744 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.178 4.940 15.232 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.108 5.655 14.365 1.00 0.00 C ATOM 1886 C ALA A 117 -2.030 5.135 12.934 1.00 0.00 C ATOM 1887 O ALA A 117 -3.051 4.830 12.317 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.824 7.148 14.404 1.00 0.00 C ATOM 0 H ALA A 117 -0.503 5.537 15.710 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.119 5.481 14.733 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.526 7.669 13.752 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.937 7.513 15.425 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.806 7.334 14.063 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.813 5.024 12.414 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.608 4.529 11.058 1.00 0.00 C ATOM 1896 C LEU A 118 -1.136 3.104 10.928 1.00 0.00 C ATOM 1897 O LEU A 118 -1.584 2.691 9.859 1.00 0.00 O ATOM 1898 CB LEU A 118 0.880 4.575 10.693 1.00 0.00 C ATOM 1899 CG LEU A 118 1.355 5.839 9.962 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.486 7.040 10.308 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.811 6.126 10.299 1.00 0.00 C ATOM 0 H LEU A 118 0.044 5.269 12.909 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.158 5.170 10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.462 4.469 11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.107 3.711 10.069 1.00 0.00 H new ATOM 0 HG LEU A 118 1.266 5.660 8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.849 7.918 9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.545 6.839 10.017 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.531 7.224 11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.136 7.025 9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.913 6.276 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.429 5.283 9.991 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.083 2.359 12.029 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.560 0.983 12.047 1.00 0.00 C ATOM 1915 C ARG A 119 -3.085 0.940 12.043 1.00 0.00 C ATOM 1916 O ARG A 119 -3.692 0.134 11.337 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.014 0.248 13.274 1.00 0.00 C ATOM 1918 CG ARG A 119 -0.134 -0.943 12.929 1.00 0.00 C ATOM 1919 CD ARG A 119 1.109 -0.994 13.803 1.00 0.00 C ATOM 1920 NE ARG A 119 1.226 -2.266 14.514 1.00 0.00 N ATOM 1921 CZ ARG A 119 0.496 -2.589 15.579 1.00 0.00 C ATOM 1922 NH1 ARG A 119 -0.404 -1.741 16.058 1.00 0.00 N ATOM 1923 NH2 ARG A 119 0.668 -3.766 16.167 1.00 0.00 N ATOM 0 H ARG A 119 -0.713 2.688 12.921 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.199 0.484 11.148 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.441 0.949 13.881 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.850 -0.093 13.884 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.704 -1.864 13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.160 -0.887 11.881 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.994 -0.841 13.185 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.079 -0.177 14.524 1.00 0.00 H new ATOM 0 HE ARG A 119 1.907 -2.945 14.174 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -0.540 -0.835 15.610 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.960 -1.995 16.875 1.00 0.00 H new ATOM 0 HH21 ARG A 119 1.359 -4.422 15.803 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.109 -4.015 16.983 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.699 1.817 12.833 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.155 1.883 12.918 1.00 0.00 C ATOM 1939 C ILE A 120 -5.765 2.091 11.534 1.00 0.00 C ATOM 1940 O ILE A 120 -6.815 1.532 11.218 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.613 3.020 13.858 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.116 2.765 15.281 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.130 3.158 13.845 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.043 4.016 16.129 1.00 0.00 C ATOM 0 H ILE A 120 -3.211 2.491 13.423 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.501 0.934 13.327 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.183 3.954 13.497 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.777 2.046 15.765 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.127 2.308 15.236 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.428 3.965 14.515 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.466 3.384 12.833 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.583 2.224 14.178 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.683 3.760 17.125 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.359 4.729 15.668 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.035 4.462 16.205 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.096 2.892 10.712 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.568 3.165 9.362 1.00 0.00 C ATOM 1958 C ALA A 121 -5.596 1.887 8.533 1.00 0.00 C ATOM 1959 O ALA A 121 -6.573 1.606 7.839 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.688 4.211 8.695 1.00 0.00 C ATOM 0 H ALA A 121 -4.225 3.363 10.958 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.584 3.554 9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.053 4.404 7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.717 5.134 9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.662 3.845 8.645 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.517 1.115 8.615 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.434 -0.128 7.871 1.00 0.00 C ATOM 1968 C GLY A 122 -5.263 -1.236 8.494 1.00 0.00 C ATOM 1969 O GLY A 122 -5.618 -2.205 7.822 1.00 0.00 O ATOM 0 H GLY A 122 -3.698 1.329 9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.771 0.042 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.393 -0.445 7.815 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.575 -1.093 9.780 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.368 -2.092 10.488 1.00 0.00 C ATOM 1975 C HIS A 123 -7.717 -2.301 9.806 1.00 0.00 C ATOM 1976 O HIS A 123 -8.239 -3.415 9.769 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.576 -1.668 11.944 1.00 0.00 C ATOM 1978 CG HIS A 123 -5.761 -2.459 12.920 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -4.563 -3.057 12.590 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -5.977 -2.749 14.225 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -4.079 -3.682 13.650 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -4.917 -3.509 14.654 1.00 0.00 N ATOM 0 H HIS A 123 -5.291 -0.297 10.351 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.823 -3.036 10.466 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.326 -0.612 12.046 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.631 -1.771 12.197 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -6.825 -2.440 14.818 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -3.155 -4.239 13.687 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.797 -3.880 15.597 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.275 -1.223 9.265 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.562 -1.289 8.581 1.00 0.00 C ATOM 1993 C LYS A 124 -9.382 -1.445 7.070 1.00 0.00 C ATOM 1994 O LYS A 124 -10.359 -1.450 6.321 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.387 -0.036 8.881 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.685 1.259 8.509 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.142 1.973 9.736 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.142 2.981 10.281 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.623 3.679 11.490 1.00 0.00 N ATOM 0 H LYS A 124 -7.856 -0.293 9.287 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.092 -2.166 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.332 -0.095 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.628 -0.016 9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.868 1.046 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.381 1.914 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -8.903 1.242 10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.213 2.482 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.375 3.715 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.074 2.472 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.271 4.449 11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.553 3.003 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.682 4.072 11.287 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.133 -1.575 6.627 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.841 -1.734 5.206 1.00 0.00 C ATOM 2015 C LEU A 125 -7.965 -3.197 4.791 1.00 0.00 C ATOM 2016 O LEU A 125 -7.848 -4.099 5.621 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.433 -1.222 4.890 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.288 0.301 4.843 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.862 0.691 4.479 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.276 0.901 3.855 1.00 0.00 C ATOM 0 H LEU A 125 -7.310 -1.573 7.230 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.567 -1.148 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.745 -1.613 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.123 -1.630 3.928 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.510 0.698 5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.778 1.777 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.174 0.293 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.611 0.282 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.158 1.984 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -7.087 0.497 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.292 0.652 4.160 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.204 -3.454 3.494 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.345 -4.808 2.968 1.00 0.00 C ATOM 2034 C PRO A 126 -7.008 -5.428 2.568 1.00 0.00 C ATOM 2035 O PRO A 126 -6.967 -6.391 1.801 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.223 -4.589 1.740 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.843 -3.234 1.239 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.363 -2.441 2.434 1.00 0.00 C ATOM 0 HA PRO A 126 -8.757 -5.500 3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.046 -5.355 0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.281 -4.634 1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.060 -3.307 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.695 -2.744 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.422 -1.932 2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.083 -1.674 2.720 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.915 -4.873 3.088 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.582 -5.377 2.779 1.00 0.00 C ATOM 2048 C ILE A 127 -3.619 -5.136 3.938 1.00 0.00 C ATOM 2049 O ILE A 127 -3.923 -4.387 4.866 1.00 0.00 O ATOM 2050 CB ILE A 127 -4.015 -4.723 1.505 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.199 -3.205 1.555 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.688 -5.302 0.270 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.210 -2.507 2.462 1.00 0.00 C ATOM 0 H ILE A 127 -5.928 -4.076 3.724 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.680 -6.450 2.612 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.948 -4.937 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.103 -2.802 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.211 -2.981 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.277 -4.831 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.509 -6.376 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.761 -5.115 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.399 -1.434 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.321 -2.883 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.196 -2.701 2.112 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.458 -5.782 3.879 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.450 -5.648 4.926 1.00 0.00 C ATOM 2067 C LYS A 128 -0.670 -4.343 4.781 1.00 0.00 C ATOM 2068 O LYS A 128 -0.308 -3.943 3.676 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.487 -6.836 4.885 1.00 0.00 C ATOM 2070 CG LYS A 128 0.455 -6.897 6.076 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.160 -7.670 7.231 1.00 0.00 C ATOM 2072 CE LYS A 128 0.827 -7.838 8.375 1.00 0.00 C ATOM 2073 NZ LYS A 128 2.174 -8.249 7.892 1.00 0.00 N ATOM 0 H LYS A 128 -2.192 -6.404 3.116 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.965 -5.632 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.064 -7.760 4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.102 -6.784 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.391 -7.369 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.698 -5.886 6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.048 -7.148 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.485 -8.650 6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.909 -6.900 8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.449 -8.584 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 2.739 -8.596 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 2.074 -9.005 7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.652 -7.433 7.460 1.00 0.00 H new ATOM 2087 N THR A 129 -0.414 -3.687 5.911 1.00 0.00 N ATOM 2088 CA THR A 129 0.326 -2.429 5.920 1.00 0.00 C ATOM 2089 C THR A 129 1.220 -2.337 7.153 1.00 0.00 C ATOM 2090 O THR A 129 0.914 -2.915 8.196 1.00 0.00 O ATOM 2091 CB THR A 129 -0.636 -1.239 5.895 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.188 -1.014 7.180 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.786 -1.407 4.926 1.00 0.00 C ATOM 0 H THR A 129 -0.709 -4.007 6.833 1.00 0.00 H new ATOM 0 HA THR A 129 0.951 -2.402 5.027 1.00 0.00 H new ATOM 0 HB THR A 129 -0.032 -0.393 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.758 -1.771 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.425 -0.525 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.396 -1.530 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.367 -2.288 5.200 1.00 0.00 H new ATOM 2101 N LYS A 130 2.325 -1.605 7.031 1.00 0.00 N ATOM 2102 CA LYS A 130 3.255 -1.440 8.145 1.00 0.00 C ATOM 2103 C LYS A 130 3.761 -0.002 8.227 1.00 0.00 C ATOM 2104 O LYS A 130 3.675 0.753 7.259 1.00 0.00 O ATOM 2105 CB LYS A 130 4.435 -2.403 8.003 1.00 0.00 C ATOM 2106 CG LYS A 130 5.034 -2.433 6.606 1.00 0.00 C ATOM 2107 CD LYS A 130 6.546 -2.583 6.650 1.00 0.00 C ATOM 2108 CE LYS A 130 7.196 -2.041 5.388 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.667 -2.277 5.375 1.00 0.00 N ATOM 0 H LYS A 130 2.597 -1.119 6.177 1.00 0.00 H new ATOM 0 HA LYS A 130 2.719 -1.669 9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.210 -2.121 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.107 -3.408 8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.602 -3.259 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.774 -1.516 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.940 -2.056 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.805 -3.635 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.745 -2.514 4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.999 -0.972 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.073 -1.893 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.102 -1.805 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.855 -3.299 5.425 1.00 0.00 H new ATOM 2123 N ILE A 131 4.289 0.369 9.391 1.00 0.00 N ATOM 2124 CA ILE A 131 4.810 1.718 9.600 1.00 0.00 C ATOM 2125 C ILE A 131 6.250 1.825 9.115 1.00 0.00 C ATOM 2126 O ILE A 131 7.047 0.906 9.302 1.00 0.00 O ATOM 2127 CB ILE A 131 4.771 2.131 11.088 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.554 1.524 11.796 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.769 3.650 11.218 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.238 1.828 11.118 1.00 0.00 C ATOM 0 H ILE A 131 4.367 -0.244 10.202 1.00 0.00 H new ATOM 0 HA ILE A 131 4.167 2.386 9.027 1.00 0.00 H new ATOM 0 HB ILE A 131 5.667 1.743 11.573 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.681 0.443 11.854 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.519 1.896 12.820 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.741 3.925 12.272 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.672 4.055 10.761 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.893 4.057 10.714 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.425 1.365 11.677 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.087 2.907 11.084 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.252 1.432 10.103 1.00 0.00 H new ATOM 2142 N VAL A 132 6.583 2.955 8.500 1.00 0.00 N ATOM 2143 CA VAL A 132 7.932 3.174 8.004 1.00 0.00 C ATOM 2144 C VAL A 132 8.314 4.650 8.071 1.00 0.00 C ATOM 2145 O VAL A 132 7.508 5.531 7.771 1.00 0.00 O ATOM 2146 CB VAL A 132 8.094 2.667 6.557 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.579 1.241 6.431 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.383 3.588 5.578 1.00 0.00 C ATOM 0 H VAL A 132 5.939 3.729 8.335 1.00 0.00 H new ATOM 0 HA VAL A 132 8.600 2.605 8.650 1.00 0.00 H new ATOM 0 HB VAL A 132 9.156 2.670 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.701 0.900 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.143 0.590 7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.523 1.210 6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.511 3.210 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.321 3.625 5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.806 4.590 5.648 1.00 0.00 H new ATOM 2158 N ARG A 133 9.550 4.903 8.468 1.00 0.00 N ATOM 2159 CA ARG A 133 10.069 6.260 8.585 1.00 0.00 C ATOM 2160 C ARG A 133 10.502 6.805 7.235 1.00 0.00 C ATOM 2161 O ARG A 133 10.662 6.052 6.277 1.00 0.00 O ATOM 2162 CB ARG A 133 11.267 6.294 9.521 1.00 0.00 C ATOM 2163 CG ARG A 133 11.106 7.250 10.692 1.00 0.00 C ATOM 2164 CD ARG A 133 11.742 6.696 11.956 1.00 0.00 C ATOM 2165 NE ARG A 133 11.494 7.550 13.116 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.161 8.675 13.363 1.00 0.00 C ATOM 2167 NH1 ARG A 133 13.114 9.086 12.535 1.00 0.00 N ATOM 2168 NH2 ARG A 133 11.876 9.391 14.442 1.00 0.00 N ATOM 0 H ARG A 133 10.222 4.178 8.718 1.00 0.00 H new ATOM 0 HA ARG A 133 9.264 6.878 8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.444 5.290 9.906 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.152 6.578 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.561 8.209 10.445 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.046 7.436 10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.350 5.698 12.151 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.817 6.593 11.805 1.00 0.00 H new ATOM 0 HE ARG A 133 10.768 7.267 13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.339 8.539 11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.622 9.949 12.730 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.146 9.080 15.082 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.387 10.253 14.632 1.00 0.00 H new