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 110 THR OG1 : rot 160:sc= -1.26 USER MOD Set 1.2: A 113 GLN : amide:sc= -1.52 X(o=-2.8,f=-3) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= -0.0771 USER MOD Set 2.2: A 46 GLN : amide:sc= -2.2 K(o=-2.3,f=-12!) USER MOD Single : A 32 TYR OH : rot 150:sc= -0.881 USER MOD Single : A 45 GLN : amide:sc= -1.01 K(o=-1,f=-2!) USER MOD Single : A 54 MET CE :methyl 149:sc= -10.6! (180deg=-12.7!) USER MOD Single : A 57 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-4.7!) USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= -0.194 (180deg=-1.16!) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0748) USER MOD Single : A 103 MET CE :methyl -134:sc= -6.82! (180deg=-10.1!) USER MOD Single : A 115 MET CE :methyl -178:sc= -0.134 (180deg=-0.14) USER MOD Single : A 123 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.51) USER MOD Single : A 124 LYS NZ :NH3+ 176:sc= -0.509 (180deg=-0.515) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -60:sc= -0.952 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.062 12.493 8.847 1.00 0.00 N ATOM 508 CA ASP A 31 8.209 11.736 9.337 1.00 0.00 C ATOM 509 C ASP A 31 7.981 10.238 9.166 1.00 0.00 C ATOM 510 O ASP A 31 8.894 9.499 8.805 1.00 0.00 O ATOM 511 CB ASP A 31 8.471 12.060 10.809 1.00 0.00 C ATOM 512 CG ASP A 31 9.451 13.205 10.982 1.00 0.00 C ATOM 513 OD1 ASP A 31 10.309 13.391 10.095 1.00 0.00 O ATOM 514 OD2 ASP A 31 9.359 13.913 12.006 1.00 0.00 O ATOM 0 HA ASP A 31 9.081 12.023 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.529 12.314 11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.860 11.173 11.310 1.00 0.00 H new ATOM 519 N TYR A 32 6.754 9.799 9.422 1.00 0.00 N ATOM 520 CA TYR A 32 6.400 8.390 9.291 1.00 0.00 C ATOM 521 C TYR A 32 5.565 8.167 8.038 1.00 0.00 C ATOM 522 O TYR A 32 5.117 9.123 7.404 1.00 0.00 O ATOM 523 CB TYR A 32 5.631 7.918 10.524 1.00 0.00 C ATOM 524 CG TYR A 32 6.524 7.495 11.667 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.507 6.528 11.489 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.381 8.062 12.927 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.320 6.139 12.535 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.192 7.677 13.978 1.00 0.00 C ATOM 529 CZ TYR A 32 8.159 6.715 13.777 1.00 0.00 C ATOM 530 OH TYR A 32 8.968 6.328 14.821 1.00 0.00 O ATOM 0 H TYR A 32 5.986 10.400 9.722 1.00 0.00 H new ATOM 0 HA TYR A 32 7.319 7.810 9.207 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.976 8.721 10.863 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.991 7.081 10.245 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.637 6.074 10.518 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.624 8.816 13.088 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.079 5.386 12.381 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.069 8.127 14.952 1.00 0.00 H new ATOM 0 HH TYR A 32 9.088 7.080 15.438 1.00 0.00 H new ATOM 540 N GLY A 33 5.361 6.905 7.677 1.00 0.00 N ATOM 541 CA GLY A 33 4.581 6.602 6.493 1.00 0.00 C ATOM 542 C GLY A 33 3.931 5.235 6.539 1.00 0.00 C ATOM 543 O GLY A 33 4.576 4.242 6.873 1.00 0.00 O ATOM 0 H GLY A 33 5.719 6.092 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.808 7.361 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.226 6.661 5.616 1.00 0.00 H new ATOM 547 N LEU A 34 2.650 5.184 6.187 1.00 0.00 N ATOM 548 CA LEU A 34 1.910 3.930 6.171 1.00 0.00 C ATOM 549 C LEU A 34 1.918 3.343 4.766 1.00 0.00 C ATOM 550 O LEU A 34 1.262 3.861 3.862 1.00 0.00 O ATOM 551 CB LEU A 34 0.468 4.152 6.640 1.00 0.00 C ATOM 552 CG LEU A 34 -0.261 2.912 7.175 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.876 2.124 6.030 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.678 2.030 7.990 1.00 0.00 C ATOM 0 H LEU A 34 2.103 5.999 5.909 1.00 0.00 H new ATOM 0 HA LEU A 34 2.392 3.230 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.473 4.912 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.107 4.556 5.807 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.060 3.249 7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.389 1.248 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.590 2.753 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.091 1.806 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.133 1.160 8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.506 1.702 7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.067 2.597 8.836 1.00 0.00 H new ATOM 566 N VAL A 35 2.678 2.271 4.583 1.00 0.00 N ATOM 567 CA VAL A 35 2.785 1.631 3.280 1.00 0.00 C ATOM 568 C VAL A 35 1.897 0.398 3.176 1.00 0.00 C ATOM 569 O VAL A 35 1.727 -0.347 4.141 1.00 0.00 O ATOM 570 CB VAL A 35 4.240 1.222 2.970 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.838 0.437 4.127 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.310 0.408 1.685 1.00 0.00 C ATOM 0 H VAL A 35 3.228 1.828 5.319 1.00 0.00 H new ATOM 0 HA VAL A 35 2.452 2.370 2.551 1.00 0.00 H new ATOM 0 HB VAL A 35 4.824 2.132 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.864 0.159 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.830 1.052 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.249 -0.464 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.345 0.131 1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.707 -0.494 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.928 1.004 0.856 1.00 0.00 H new ATOM 582 N ALA A 36 1.360 0.182 1.982 1.00 0.00 N ATOM 583 CA ALA A 36 0.516 -0.970 1.718 1.00 0.00 C ATOM 584 C ALA A 36 1.344 -2.081 1.087 1.00 0.00 C ATOM 585 O ALA A 36 1.791 -1.957 -0.053 1.00 0.00 O ATOM 586 CB ALA A 36 -0.643 -0.583 0.811 1.00 0.00 C ATOM 0 H ALA A 36 1.497 0.795 1.178 1.00 0.00 H new ATOM 0 HA ALA A 36 0.103 -1.331 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.266 -1.458 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.240 0.191 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.254 -0.204 -0.134 1.00 0.00 H new ATOM 592 N LEU A 37 1.562 -3.152 1.843 1.00 0.00 N ATOM 593 CA LEU A 37 2.356 -4.283 1.371 1.00 0.00 C ATOM 594 C LEU A 37 1.567 -5.184 0.422 1.00 0.00 C ATOM 595 O LEU A 37 2.082 -6.200 -0.044 1.00 0.00 O ATOM 596 CB LEU A 37 2.852 -5.101 2.563 1.00 0.00 C ATOM 597 CG LEU A 37 3.478 -4.280 3.690 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.415 -5.039 5.006 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.914 -3.920 3.343 1.00 0.00 C ATOM 0 H LEU A 37 1.198 -3.261 2.790 1.00 0.00 H new ATOM 0 HA LEU A 37 3.203 -3.880 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.015 -5.669 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.586 -5.824 2.209 1.00 0.00 H new ATOM 0 HG LEU A 37 2.909 -3.358 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.866 -4.437 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.375 -5.246 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.959 -5.979 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.349 -3.335 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.494 -4.832 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.930 -3.334 2.424 1.00 0.00 H new ATOM 611 N GLU A 38 0.320 -4.819 0.136 1.00 0.00 N ATOM 612 CA GLU A 38 -0.513 -5.615 -0.758 1.00 0.00 C ATOM 613 C GLU A 38 -1.486 -4.729 -1.536 1.00 0.00 C ATOM 614 O GLU A 38 -1.900 -3.676 -1.052 1.00 0.00 O ATOM 615 CB GLU A 38 -1.283 -6.670 0.038 1.00 0.00 C ATOM 616 CG GLU A 38 -1.376 -8.016 -0.664 1.00 0.00 C ATOM 617 CD GLU A 38 -1.484 -9.174 0.309 1.00 0.00 C ATOM 618 OE1 GLU A 38 -2.585 -9.385 0.861 1.00 0.00 O ATOM 619 OE2 GLU A 38 -0.468 -9.869 0.518 1.00 0.00 O ATOM 0 H GLU A 38 -0.132 -3.984 0.507 1.00 0.00 H new ATOM 0 HA GLU A 38 0.139 -6.115 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.800 -6.807 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.290 -6.302 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.244 -8.018 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.497 -8.155 -1.293 1.00 0.00 H new ATOM 626 N PRO A 39 -1.863 -5.144 -2.760 1.00 0.00 N ATOM 627 CA PRO A 39 -2.786 -4.381 -3.605 1.00 0.00 C ATOM 628 C PRO A 39 -4.197 -4.330 -3.027 1.00 0.00 C ATOM 629 O PRO A 39 -4.723 -5.340 -2.560 1.00 0.00 O ATOM 630 CB PRO A 39 -2.792 -5.142 -4.940 1.00 0.00 C ATOM 631 CG PRO A 39 -1.636 -6.084 -4.873 1.00 0.00 C ATOM 632 CD PRO A 39 -1.419 -6.382 -3.419 1.00 0.00 C ATOM 0 HA PRO A 39 -2.470 -3.342 -3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.729 -5.681 -5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.691 -4.457 -5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.846 -6.997 -5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.745 -5.638 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.000 -7.244 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.373 -6.602 -3.203 1.00 0.00 H new ATOM 640 N ALA A 40 -4.807 -3.148 -3.064 1.00 0.00 N ATOM 641 CA ALA A 40 -6.160 -2.977 -2.545 1.00 0.00 C ATOM 642 C ALA A 40 -6.814 -1.714 -3.096 1.00 0.00 C ATOM 643 O ALA A 40 -6.158 -0.883 -3.723 1.00 0.00 O ATOM 644 CB ALA A 40 -6.138 -2.942 -1.025 1.00 0.00 C ATOM 0 H ALA A 40 -4.389 -2.300 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.755 -3.829 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.153 -2.814 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.726 -3.877 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.519 -2.110 -0.689 1.00 0.00 H new ATOM 650 N TRP A 41 -8.113 -1.578 -2.849 1.00 0.00 N ATOM 651 CA TRP A 41 -8.866 -0.417 -3.309 1.00 0.00 C ATOM 652 C TRP A 41 -9.331 0.423 -2.123 1.00 0.00 C ATOM 653 O TRP A 41 -10.251 0.038 -1.403 1.00 0.00 O ATOM 654 CB TRP A 41 -10.073 -0.859 -4.138 1.00 0.00 C ATOM 655 CG TRP A 41 -9.699 -1.515 -5.433 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.634 -1.207 -6.228 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.392 -2.587 -6.084 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.620 -2.024 -7.333 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.688 -2.879 -7.267 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.537 -3.329 -5.779 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.093 -3.881 -8.146 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.937 -4.322 -6.652 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.217 -4.590 -7.824 1.00 0.00 C ATOM 0 H TRP A 41 -8.667 -2.260 -2.331 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.211 0.190 -3.934 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.675 -1.551 -3.549 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.698 0.009 -4.346 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.908 -0.435 -6.020 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.927 -1.998 -8.081 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.098 -3.130 -4.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.539 -4.090 -9.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.820 -4.902 -6.427 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.557 -5.372 -8.486 1.00 0.00 H new ATOM 674 N ILE A 42 -8.684 1.565 -1.921 1.00 0.00 N ATOM 675 CA ILE A 42 -9.030 2.450 -0.815 1.00 0.00 C ATOM 676 C ILE A 42 -10.204 3.355 -1.173 1.00 0.00 C ATOM 677 O ILE A 42 -10.130 4.146 -2.113 1.00 0.00 O ATOM 678 CB ILE A 42 -7.835 3.326 -0.396 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.561 2.483 -0.297 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.123 4.018 0.930 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.621 1.422 0.780 1.00 0.00 C ATOM 0 H ILE A 42 -7.919 1.899 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.312 1.807 0.019 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.682 4.090 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.377 2.003 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.714 3.141 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.269 4.633 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -9.006 4.649 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.300 3.268 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.685 0.863 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.774 1.896 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.447 0.741 0.574 1.00 0.00 H new ATOM 693 N THR A 43 -11.287 3.235 -0.411 1.00 0.00 N ATOM 694 CA THR A 43 -12.479 4.040 -0.637 1.00 0.00 C ATOM 695 C THR A 43 -12.304 5.442 -0.072 1.00 0.00 C ATOM 696 O THR A 43 -11.326 5.729 0.619 1.00 0.00 O ATOM 697 CB THR A 43 -13.694 3.375 0.006 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.311 2.621 1.142 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.429 2.446 -0.933 1.00 0.00 C ATOM 0 H THR A 43 -11.362 2.585 0.371 1.00 0.00 H new ATOM 0 HA THR A 43 -12.636 4.116 -1.713 1.00 0.00 H new ATOM 0 HB THR A 43 -14.360 4.192 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.103 2.204 1.540 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.281 2.006 -0.416 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.780 3.007 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.756 1.654 -1.262 1.00 0.00 H new ATOM 707 N ALA A 44 -13.262 6.312 -0.367 1.00 0.00 N ATOM 708 CA ALA A 44 -13.219 7.684 0.114 1.00 0.00 C ATOM 709 C ALA A 44 -13.227 7.724 1.637 1.00 0.00 C ATOM 710 O ALA A 44 -12.472 8.479 2.252 1.00 0.00 O ATOM 711 CB ALA A 44 -14.392 8.474 -0.446 1.00 0.00 C ATOM 0 H ALA A 44 -14.078 6.090 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.292 8.141 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.349 9.499 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.342 8.476 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.327 8.013 -0.126 1.00 0.00 H new ATOM 717 N GLN A 45 -14.087 6.910 2.242 1.00 0.00 N ATOM 718 CA GLN A 45 -14.210 6.843 3.668 1.00 0.00 C ATOM 719 C GLN A 45 -12.916 6.395 4.335 1.00 0.00 C ATOM 720 O GLN A 45 -12.562 6.885 5.398 1.00 0.00 O ATOM 721 CB GLN A 45 -15.330 5.872 3.983 1.00 0.00 C ATOM 722 CG GLN A 45 -16.513 6.527 4.647 1.00 0.00 C ATOM 723 CD GLN A 45 -16.694 6.100 6.090 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.478 6.885 7.013 1.00 0.00 O ATOM 725 NE2 GLN A 45 -17.091 4.849 6.293 1.00 0.00 N ATOM 0 H GLN A 45 -14.715 6.281 1.741 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.430 7.837 4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.658 5.394 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.947 5.084 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.392 7.609 4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.416 6.286 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -17.259 4.232 5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.228 4.505 7.244 1.00 0.00 H new ATOM 734 N GLN A 46 -12.211 5.461 3.715 1.00 0.00 N ATOM 735 CA GLN A 46 -10.967 4.958 4.285 1.00 0.00 C ATOM 736 C GLN A 46 -9.960 6.088 4.477 1.00 0.00 C ATOM 737 O GLN A 46 -9.184 6.082 5.432 1.00 0.00 O ATOM 738 CB GLN A 46 -10.374 3.864 3.394 1.00 0.00 C ATOM 739 CG GLN A 46 -10.633 2.459 3.915 1.00 0.00 C ATOM 740 CD GLN A 46 -10.624 1.416 2.816 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.847 1.727 1.647 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.367 0.167 3.186 1.00 0.00 N ATOM 0 H GLN A 46 -12.474 5.038 2.825 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.191 4.530 5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.792 3.955 2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.299 4.019 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.875 2.206 4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.597 2.437 4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.187 -0.048 4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.349 -0.578 2.489 1.00 0.00 H new ATOM 751 N ILE A 47 -9.975 7.054 3.569 1.00 0.00 N ATOM 752 CA ILE A 47 -9.061 8.187 3.647 1.00 0.00 C ATOM 753 C ILE A 47 -9.409 9.114 4.810 1.00 0.00 C ATOM 754 O ILE A 47 -8.546 9.463 5.615 1.00 0.00 O ATOM 755 CB ILE A 47 -9.061 8.999 2.338 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.850 8.077 1.137 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.987 10.077 2.379 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.323 8.670 -0.170 1.00 0.00 C ATOM 0 H ILE A 47 -10.609 7.077 2.770 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.067 7.772 3.812 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.031 9.484 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.790 7.837 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.376 7.139 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.001 10.641 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.180 10.751 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.009 9.612 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.142 7.961 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.390 8.884 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.779 9.593 -0.369 1.00 0.00 H new ATOM 770 N GLU A 48 -10.674 9.517 4.890 1.00 0.00 N ATOM 771 CA GLU A 48 -11.122 10.414 5.952 1.00 0.00 C ATOM 772 C GLU A 48 -11.442 9.649 7.235 1.00 0.00 C ATOM 773 O GLU A 48 -11.036 10.051 8.325 1.00 0.00 O ATOM 774 CB GLU A 48 -12.354 11.197 5.495 1.00 0.00 C ATOM 775 CG GLU A 48 -12.403 12.619 6.029 1.00 0.00 C ATOM 776 CD GLU A 48 -11.787 13.622 5.073 1.00 0.00 C ATOM 777 OE1 GLU A 48 -10.560 13.554 4.852 1.00 0.00 O ATOM 778 OE2 GLU A 48 -12.531 14.475 4.546 1.00 0.00 O ATOM 0 H GLU A 48 -11.405 9.238 4.235 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.308 11.107 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.372 11.226 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.251 10.666 5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.440 12.895 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.879 12.663 6.984 1.00 0.00 H new ATOM 785 N ALA A 49 -12.175 8.550 7.097 1.00 0.00 N ATOM 786 CA ALA A 49 -12.555 7.729 8.245 1.00 0.00 C ATOM 787 C ALA A 49 -11.328 7.291 9.037 1.00 0.00 C ATOM 788 O ALA A 49 -11.298 7.399 10.263 1.00 0.00 O ATOM 789 CB ALA A 49 -13.357 6.513 7.792 1.00 0.00 C ATOM 0 H ALA A 49 -12.519 8.205 6.201 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.181 8.336 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.631 5.914 8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.260 6.843 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.753 5.912 7.112 1.00 0.00 H new ATOM 795 N ALA A 50 -10.317 6.800 8.329 1.00 0.00 N ATOM 796 CA ALA A 50 -9.087 6.349 8.968 1.00 0.00 C ATOM 797 C ALA A 50 -8.356 7.515 9.623 1.00 0.00 C ATOM 798 O ALA A 50 -7.823 7.386 10.726 1.00 0.00 O ATOM 799 CB ALA A 50 -8.186 5.662 7.953 1.00 0.00 C ATOM 0 H ALA A 50 -10.325 6.704 7.314 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.350 5.632 9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.271 5.330 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.704 4.801 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.936 6.362 7.156 1.00 0.00 H new ATOM 805 N ARG A 51 -8.337 8.655 8.939 1.00 0.00 N ATOM 806 CA ARG A 51 -7.672 9.845 9.455 1.00 0.00 C ATOM 807 C ARG A 51 -8.278 10.268 10.791 1.00 0.00 C ATOM 808 O ARG A 51 -7.559 10.620 11.726 1.00 0.00 O ATOM 809 CB ARG A 51 -7.776 10.991 8.444 1.00 0.00 C ATOM 810 CG ARG A 51 -6.435 11.417 7.867 1.00 0.00 C ATOM 811 CD ARG A 51 -6.202 12.909 8.039 1.00 0.00 C ATOM 812 NE ARG A 51 -6.578 13.664 6.846 1.00 0.00 N ATOM 813 CZ ARG A 51 -6.361 14.968 6.694 1.00 0.00 C ATOM 814 NH1 ARG A 51 -5.770 15.666 7.656 1.00 0.00 N ATOM 815 NH2 ARG A 51 -6.735 15.577 5.577 1.00 0.00 N ATOM 0 H ARG A 51 -8.775 8.779 8.026 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.620 9.607 9.614 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.433 10.687 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.244 11.849 8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.634 10.864 8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.396 11.161 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.777 13.269 8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.151 13.088 8.265 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.034 13.162 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.480 15.203 8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.606 16.665 7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.189 15.046 4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.569 16.577 5.461 1.00 0.00 H new ATOM 829 N VAL A 52 -9.603 10.231 10.871 1.00 0.00 N ATOM 830 CA VAL A 52 -10.307 10.608 12.092 1.00 0.00 C ATOM 831 C VAL A 52 -9.860 9.750 13.272 1.00 0.00 C ATOM 832 O VAL A 52 -9.664 10.254 14.379 1.00 0.00 O ATOM 833 CB VAL A 52 -11.833 10.475 11.923 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.557 10.965 13.168 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.303 11.236 10.689 1.00 0.00 C ATOM 0 H VAL A 52 -10.212 9.944 10.105 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.060 11.651 12.291 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.072 9.421 11.785 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.633 10.862 13.027 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.245 10.372 14.027 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.312 12.013 13.342 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.383 11.131 10.586 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.050 12.291 10.794 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.813 10.831 9.803 1.00 0.00 H new ATOM 845 N ALA A 53 -9.703 8.454 13.028 1.00 0.00 N ATOM 846 CA ALA A 53 -9.281 7.526 14.071 1.00 0.00 C ATOM 847 C ALA A 53 -7.847 7.804 14.509 1.00 0.00 C ATOM 848 O ALA A 53 -7.522 7.714 15.693 1.00 0.00 O ATOM 849 CB ALA A 53 -9.418 6.092 13.582 1.00 0.00 C ATOM 0 H ALA A 53 -9.861 8.022 12.118 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.929 7.669 14.936 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.100 5.407 14.368 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.459 5.893 13.326 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.793 5.947 12.701 1.00 0.00 H new ATOM 855 N MET A 54 -6.994 8.140 13.549 1.00 0.00 N ATOM 856 CA MET A 54 -5.593 8.428 13.834 1.00 0.00 C ATOM 857 C MET A 54 -5.442 9.755 14.572 1.00 0.00 C ATOM 858 O MET A 54 -4.717 9.847 15.562 1.00 0.00 O ATOM 859 CB MET A 54 -4.785 8.456 12.536 1.00 0.00 C ATOM 860 CG MET A 54 -4.771 7.124 11.806 1.00 0.00 C ATOM 861 SD MET A 54 -3.451 7.015 10.583 1.00 0.00 S ATOM 862 CE MET A 54 -4.217 7.837 9.189 1.00 0.00 C ATOM 0 H MET A 54 -7.248 8.220 12.564 1.00 0.00 H new ATOM 0 HA MET A 54 -5.211 7.636 14.477 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.198 9.219 11.876 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.760 8.749 12.761 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.656 6.318 12.531 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.731 6.975 11.312 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.451 8.336 8.595 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.733 7.102 8.572 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.934 8.574 9.550 1.00 0.00 H new ATOM 872 N VAL A 55 -6.127 10.783 14.080 1.00 0.00 N ATOM 873 CA VAL A 55 -6.064 12.105 14.692 1.00 0.00 C ATOM 874 C VAL A 55 -6.473 12.055 16.161 1.00 0.00 C ATOM 875 O VAL A 55 -5.928 12.780 16.993 1.00 0.00 O ATOM 876 CB VAL A 55 -6.972 13.108 13.951 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.812 14.507 14.531 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.669 13.104 12.460 1.00 0.00 C ATOM 0 H VAL A 55 -6.731 10.726 13.260 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.029 12.438 14.620 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.008 12.799 14.089 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.461 15.200 13.995 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.085 14.497 15.586 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.775 14.827 14.428 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.320 13.818 11.955 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.628 13.385 12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.842 12.106 12.056 1.00 0.00 H new ATOM 888 N ARG A 56 -7.437 11.195 16.473 1.00 0.00 N ATOM 889 CA ARG A 56 -7.921 11.050 17.840 1.00 0.00 C ATOM 890 C ARG A 56 -6.925 10.276 18.700 1.00 0.00 C ATOM 891 O ARG A 56 -6.846 10.481 19.911 1.00 0.00 O ATOM 892 CB ARG A 56 -9.273 10.336 17.845 1.00 0.00 C ATOM 893 CG ARG A 56 -10.447 11.253 17.542 1.00 0.00 C ATOM 894 CD ARG A 56 -11.610 10.485 16.936 1.00 0.00 C ATOM 895 NE ARG A 56 -12.107 9.446 17.835 1.00 0.00 N ATOM 896 CZ ARG A 56 -12.824 8.397 17.435 1.00 0.00 C ATOM 897 NH1 ARG A 56 -13.132 8.245 16.152 1.00 0.00 N ATOM 898 NH2 ARG A 56 -13.234 7.499 18.319 1.00 0.00 N ATOM 0 H ARG A 56 -7.899 10.587 15.796 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.035 12.048 18.264 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.252 9.531 17.110 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.426 9.873 18.820 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.772 11.745 18.459 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.130 12.037 16.855 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.418 11.177 16.700 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.295 10.031 15.996 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.892 9.529 18.829 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.819 8.933 15.467 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.681 7.440 15.851 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.001 7.611 19.306 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.783 6.696 18.013 1.00 0.00 H new ATOM 912 N HIS A 57 -6.170 9.382 18.069 1.00 0.00 N ATOM 913 CA HIS A 57 -5.186 8.573 18.781 1.00 0.00 C ATOM 914 C HIS A 57 -4.079 9.440 19.374 1.00 0.00 C ATOM 915 O HIS A 57 -3.793 9.362 20.568 1.00 0.00 O ATOM 916 CB HIS A 57 -4.582 7.525 17.844 1.00 0.00 C ATOM 917 CG HIS A 57 -3.916 6.395 18.568 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.615 5.429 19.260 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.606 6.081 18.707 1.00 0.00 C ATOM 920 CE1 HIS A 57 -3.765 4.572 19.795 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.540 4.943 19.473 1.00 0.00 N ATOM 0 H HIS A 57 -6.220 9.199 17.067 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.699 8.069 19.600 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.368 7.124 17.204 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.855 8.008 17.191 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.630 5.383 19.345 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.769 6.624 18.293 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.028 3.713 20.395 1.00 0.00 H new ATOM 930 N PHE A 58 -3.456 10.262 18.534 1.00 0.00 N ATOM 931 CA PHE A 58 -2.374 11.139 18.980 1.00 0.00 C ATOM 932 C PHE A 58 -2.775 11.913 20.233 1.00 0.00 C ATOM 933 O PHE A 58 -3.688 12.738 20.201 1.00 0.00 O ATOM 934 CB PHE A 58 -1.985 12.115 17.868 1.00 0.00 C ATOM 935 CG PHE A 58 -1.815 11.465 16.525 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.869 10.470 16.333 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.602 11.851 15.452 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.711 9.873 15.097 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.449 11.258 14.213 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.503 10.268 14.036 1.00 0.00 C ATOM 0 H PHE A 58 -3.680 10.340 17.542 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.515 10.513 19.222 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.749 12.889 17.793 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.054 12.611 18.142 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.248 10.158 17.160 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.344 12.624 15.585 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.030 9.099 14.961 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.068 11.569 13.385 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.382 9.803 13.069 1.00 0.00 H new ATOM 950 N ARG A 59 -2.085 11.640 21.336 1.00 0.00 N ATOM 951 CA ARG A 59 -2.368 12.309 22.602 1.00 0.00 C ATOM 952 C ARG A 59 -1.930 13.769 22.559 1.00 0.00 C ATOM 953 O ARG A 59 -2.623 14.652 23.062 1.00 0.00 O ATOM 954 CB ARG A 59 -1.665 11.587 23.752 1.00 0.00 C ATOM 955 CG ARG A 59 -1.992 10.106 23.823 1.00 0.00 C ATOM 956 CD ARG A 59 -0.827 9.253 23.346 1.00 0.00 C ATOM 957 NE ARG A 59 -1.252 7.909 22.960 1.00 0.00 N ATOM 958 CZ ARG A 59 -1.472 6.923 23.827 1.00 0.00 C ATOM 959 NH1 ARG A 59 -1.312 7.125 25.129 1.00 0.00 N ATOM 960 NH2 ARG A 59 -1.855 5.730 23.390 1.00 0.00 N ATOM 0 H ARG A 59 -1.326 10.960 21.379 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.445 12.278 22.766 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.587 11.709 23.643 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.946 12.059 24.693 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.245 9.837 24.849 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.871 9.897 23.213 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.346 9.739 22.497 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.081 9.184 24.138 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.388 7.715 21.968 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.019 8.040 25.471 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.482 6.365 25.788 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.981 5.569 22.391 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.024 4.974 24.053 1.00 0.00 H new ATOM 974 N ARG A 60 -0.773 14.013 21.954 1.00 0.00 N ATOM 975 CA ARG A 60 -0.237 15.365 21.844 1.00 0.00 C ATOM 976 C ARG A 60 -0.552 15.965 20.477 1.00 0.00 C ATOM 977 O ARG A 60 0.232 16.746 19.937 1.00 0.00 O ATOM 978 CB ARG A 60 1.274 15.358 22.076 1.00 0.00 C ATOM 979 CG ARG A 60 1.673 14.916 23.475 1.00 0.00 C ATOM 980 CD ARG A 60 1.345 15.978 24.513 1.00 0.00 C ATOM 981 NE ARG A 60 2.512 16.336 25.316 1.00 0.00 N ATOM 982 CZ ARG A 60 2.968 15.602 26.329 1.00 0.00 C ATOM 983 NH1 ARG A 60 2.359 14.472 26.666 1.00 0.00 N ATOM 984 NH2 ARG A 60 4.035 16.000 27.008 1.00 0.00 N ATOM 0 H ARG A 60 -0.188 13.292 21.532 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.711 15.980 22.609 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.742 14.696 21.348 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.666 16.359 21.895 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.156 13.990 23.726 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.741 14.701 23.498 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.962 16.868 24.013 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.553 15.614 25.167 1.00 0.00 H new ATOM 0 HE ARG A 60 3.006 17.198 25.087 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.537 14.162 26.148 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.713 13.914 27.443 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.506 16.868 26.754 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.385 15.438 27.784 1.00 0.00 H new ATOM 998 N GLY A 61 -1.701 15.595 19.923 1.00 0.00 N ATOM 999 CA GLY A 61 -2.098 16.106 18.625 1.00 0.00 C ATOM 1000 C GLY A 61 -1.195 15.615 17.510 1.00 0.00 C ATOM 1001 O GLY A 61 -0.205 14.928 17.761 1.00 0.00 O ATOM 0 H GLY A 61 -2.365 14.950 20.350 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.125 15.804 18.417 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.084 17.196 18.647 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.537 15.969 16.276 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.740 15.552 15.138 1.00 0.00 C ATOM 1007 C GLY A 62 -1.485 15.692 13.825 1.00 0.00 C ATOM 1008 O GLY A 62 -2.714 15.767 13.806 1.00 0.00 O ATOM 0 H GLY A 62 -2.352 16.537 16.044 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.172 16.147 15.100 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.437 14.513 15.271 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.740 15.731 12.725 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.337 15.863 11.402 1.00 0.00 C ATOM 1014 C LYS A 63 -0.924 14.704 10.501 1.00 0.00 C ATOM 1015 O LYS A 63 0.160 14.139 10.657 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.926 17.192 10.764 1.00 0.00 C ATOM 1017 CG LYS A 63 0.578 17.366 10.633 1.00 0.00 C ATOM 1018 CD LYS A 63 0.988 18.817 10.821 1.00 0.00 C ATOM 1019 CE LYS A 63 2.479 18.946 11.085 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.228 19.340 9.860 1.00 0.00 N ATOM 0 H LYS A 63 0.278 15.673 12.724 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.421 15.843 11.516 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.379 17.266 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.327 18.011 11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.083 16.745 11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.902 17.019 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.724 19.389 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.432 19.248 11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.646 19.687 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.865 17.997 11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.009 19.976 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.612 18.490 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.587 19.830 9.204 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.794 14.353 9.560 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.520 13.258 8.636 1.00 0.00 C ATOM 1036 C ILE A 64 -1.604 13.727 7.188 1.00 0.00 C ATOM 1037 O ILE A 64 -2.605 14.310 6.772 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.499 12.080 8.834 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.976 12.008 10.288 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.840 10.772 8.421 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.950 10.879 10.549 1.00 0.00 C ATOM 0 H ILE A 64 -2.694 14.810 9.417 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.508 12.917 8.853 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.370 12.246 8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.111 11.889 10.940 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.448 12.954 10.554 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.541 9.950 8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.554 10.824 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.952 10.603 9.031 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.245 10.888 11.598 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.833 11.008 9.922 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.474 9.927 10.315 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.549 13.464 6.424 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.507 13.855 5.020 1.00 0.00 C ATOM 1055 C PHE A 65 -0.873 12.679 4.121 1.00 0.00 C ATOM 1056 O PHE A 65 -0.109 11.723 3.992 1.00 0.00 O ATOM 1057 CB PHE A 65 0.884 14.377 4.655 1.00 0.00 C ATOM 1058 CG PHE A 65 1.342 15.518 5.517 1.00 0.00 C ATOM 1059 CD1 PHE A 65 1.065 16.829 5.159 1.00 0.00 C ATOM 1060 CD2 PHE A 65 2.049 15.282 6.685 1.00 0.00 C ATOM 1061 CE1 PHE A 65 1.485 17.881 5.950 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.471 16.330 7.480 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.190 17.631 7.113 1.00 0.00 C ATOM 0 H PHE A 65 0.288 12.982 6.753 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.236 14.650 4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.602 13.561 4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.881 14.698 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.515 17.030 4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.273 14.267 6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.263 18.897 5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.021 16.132 8.388 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.520 18.452 7.733 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.049 12.754 3.505 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.516 11.691 2.621 1.00 0.00 C ATOM 1075 C ILE A 66 -2.102 11.955 1.178 1.00 0.00 C ATOM 1076 O ILE A 66 -2.124 13.095 0.714 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.050 11.533 2.679 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.571 11.806 4.093 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.455 10.138 2.220 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.953 10.914 5.150 1.00 0.00 C ATOM 0 H ILE A 66 -2.695 13.538 3.601 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.052 10.769 2.971 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.497 12.265 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.375 12.847 4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.653 11.673 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.540 10.040 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.120 9.981 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.996 9.393 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.369 11.164 6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.171 9.871 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.873 11.064 5.167 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.726 10.892 0.473 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.307 11.008 -0.920 1.00 0.00 C ATOM 1094 C ARG A 67 -2.301 10.315 -1.848 1.00 0.00 C ATOM 1095 O ARG A 67 -2.482 10.723 -2.995 1.00 0.00 O ATOM 1096 CB ARG A 67 0.087 10.405 -1.106 1.00 0.00 C ATOM 1097 CG ARG A 67 1.208 11.429 -1.034 1.00 0.00 C ATOM 1098 CD ARG A 67 2.568 10.783 -1.245 1.00 0.00 C ATOM 1099 NE ARG A 67 2.878 10.609 -2.663 1.00 0.00 N ATOM 1100 CZ ARG A 67 3.323 11.586 -3.450 1.00 0.00 C ATOM 1101 NH1 ARG A 67 3.508 12.808 -2.964 1.00 0.00 N ATOM 1102 NH2 ARG A 67 3.583 11.342 -4.727 1.00 0.00 N ATOM 0 H ARG A 67 -1.703 9.942 0.843 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.276 12.067 -1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.250 9.646 -0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.129 9.900 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.048 12.198 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.187 11.926 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.338 11.398 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.590 9.813 -0.748 1.00 0.00 H new ATOM 0 HE ARG A 67 2.746 9.685 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.309 13.002 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.849 13.552 -3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.442 10.406 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.924 12.091 -5.330 1.00 0.00 H new ATOM 1116 N ILE A 68 -2.944 9.267 -1.344 1.00 0.00 N ATOM 1117 CA ILE A 68 -3.919 8.517 -2.128 1.00 0.00 C ATOM 1118 C ILE A 68 -5.171 9.346 -2.393 1.00 0.00 C ATOM 1119 O ILE A 68 -5.522 10.227 -1.608 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.325 7.210 -1.419 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -4.958 7.515 -0.060 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.119 6.299 -1.254 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.415 6.279 0.684 1.00 0.00 C ATOM 0 H ILE A 68 -2.807 8.917 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.440 8.275 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.063 6.696 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.237 8.054 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.811 8.178 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.423 5.381 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.708 6.058 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.360 6.805 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.853 6.570 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.160 5.751 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.561 5.625 0.861 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.843 9.054 -3.501 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.061 9.768 -3.869 1.00 0.00 C ATOM 1137 C PHE A 69 -7.972 8.880 -4.718 1.00 0.00 C ATOM 1138 O PHE A 69 -7.510 8.217 -5.646 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.715 11.049 -4.633 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.344 12.282 -4.051 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -6.740 12.954 -3.001 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.540 12.768 -4.554 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -7.317 14.090 -2.464 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -9.122 13.903 -4.020 1.00 0.00 C ATOM 1145 CZ PHE A 69 -8.509 14.565 -2.974 1.00 0.00 C ATOM 0 H PHE A 69 -5.565 8.327 -4.161 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.591 10.034 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.632 11.174 -4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.035 10.942 -5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.808 12.587 -2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.023 12.255 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.836 14.606 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.055 14.272 -4.420 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.961 15.452 -2.556 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.284 8.853 -4.414 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.248 8.037 -5.161 1.00 0.00 C ATOM 1157 C PRO A 70 -10.390 8.499 -6.608 1.00 0.00 C ATOM 1158 O PRO A 70 -10.860 9.604 -6.873 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.570 8.238 -4.405 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.189 8.822 -3.087 1.00 0.00 C ATOM 1161 CD PRO A 70 -9.933 9.605 -3.329 1.00 0.00 C ATOM 0 HA PRO A 70 -9.935 6.994 -5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.237 8.904 -4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.097 7.293 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.981 9.464 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.024 8.039 -2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.147 10.633 -3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.307 9.651 -2.438 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.448 4.389 -5.758 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.387 3.880 -4.897 1.00 0.00 C ATOM 1541 C VAL A 94 -10.012 4.204 -5.470 1.00 0.00 C ATOM 1542 O VAL A 94 -9.878 4.520 -6.652 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.501 2.356 -4.705 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.632 2.020 -3.745 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.701 1.663 -6.043 1.00 0.00 C ATOM 0 HA VAL A 94 -11.502 4.371 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.570 1.993 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.696 0.939 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.438 2.484 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.573 2.396 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.779 0.587 -5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.615 2.030 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.852 1.875 -6.693 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.990 4.118 -4.624 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.623 4.399 -5.046 1.00 0.00 C ATOM 1557 C ALA A 95 -6.788 3.123 -5.067 1.00 0.00 C ATOM 1558 O ALA A 95 -6.359 2.632 -4.023 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.989 5.432 -4.127 1.00 0.00 C ATOM 0 H ALA A 95 -9.083 3.856 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.654 4.802 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.969 5.632 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.569 6.354 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.975 5.051 -3.106 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.560 2.589 -6.263 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.778 1.367 -6.418 1.00 0.00 C ATOM 1567 C VAL A 96 -4.367 1.546 -5.869 1.00 0.00 C ATOM 1568 O VAL A 96 -3.693 2.532 -6.169 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.692 0.928 -7.893 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.171 -0.497 -7.994 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -7.047 1.056 -8.571 1.00 0.00 C ATOM 0 H VAL A 96 -6.905 2.983 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.293 0.592 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.992 1.586 -8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.117 -0.791 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.178 -0.554 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.845 -1.169 -7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.964 0.741 -9.611 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.772 0.425 -8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.377 2.094 -8.531 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.928 0.589 -5.060 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.600 0.639 -4.462 1.00 0.00 C ATOM 1583 C VAL A 97 -1.820 -0.643 -4.739 1.00 0.00 C ATOM 1584 O VAL A 97 -2.401 -1.671 -5.083 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.684 0.856 -2.939 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.308 1.138 -2.362 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.649 1.987 -2.613 1.00 0.00 C ATOM 0 H VAL A 97 -4.474 -0.233 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.078 1.481 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.063 -0.058 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.389 1.288 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.649 0.293 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.897 2.036 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.695 2.126 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.303 2.908 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.641 1.739 -2.990 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.499 -0.574 -4.587 1.00 0.00 N ATOM 1598 CA LYS A 98 0.363 -1.728 -4.816 1.00 0.00 C ATOM 1599 C LYS A 98 1.324 -1.927 -3.645 1.00 0.00 C ATOM 1600 O LYS A 98 1.569 -1.002 -2.871 1.00 0.00 O ATOM 1601 CB LYS A 98 1.150 -1.555 -6.117 1.00 0.00 C ATOM 1602 CG LYS A 98 0.270 -1.301 -7.330 1.00 0.00 C ATOM 1603 CD LYS A 98 1.098 -1.111 -8.590 1.00 0.00 C ATOM 1604 CE LYS A 98 1.111 -2.370 -9.444 1.00 0.00 C ATOM 1605 NZ LYS A 98 2.128 -3.350 -8.974 1.00 0.00 N ATOM 0 H LYS A 98 -0.003 0.272 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.268 -2.613 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.846 -0.724 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.747 -2.450 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.414 -2.139 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.341 -0.415 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.695 -0.281 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.119 -0.844 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.124 -2.833 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.316 -2.103 -10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.188 -4.139 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.054 -2.883 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.853 -3.714 -8.039 1.00 0.00 H new ATOM 1619 N PRO A 99 1.887 -3.138 -3.496 1.00 0.00 N ATOM 1620 CA PRO A 99 2.826 -3.443 -2.409 1.00 0.00 C ATOM 1621 C PRO A 99 3.993 -2.465 -2.369 1.00 0.00 C ATOM 1622 O PRO A 99 4.830 -2.442 -3.272 1.00 0.00 O ATOM 1623 CB PRO A 99 3.318 -4.853 -2.740 1.00 0.00 C ATOM 1624 CG PRO A 99 2.244 -5.444 -3.589 1.00 0.00 C ATOM 1625 CD PRO A 99 1.658 -4.301 -4.371 1.00 0.00 C ATOM 0 HA PRO A 99 2.354 -3.367 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.270 -4.825 -3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.474 -5.440 -1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.648 -6.206 -4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.484 -5.928 -2.976 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.149 -4.181 -5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.597 -4.452 -4.570 1.00 0.00 H new ATOM 1633 N GLY A 100 4.039 -1.655 -1.317 1.00 0.00 N ATOM 1634 CA GLY A 100 5.103 -0.682 -1.179 1.00 0.00 C ATOM 1635 C GLY A 100 4.637 0.727 -1.494 1.00 0.00 C ATOM 1636 O GLY A 100 5.416 1.553 -1.968 1.00 0.00 O ATOM 0 H GLY A 100 3.358 -1.656 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.493 -0.715 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.925 -0.948 -1.844 1.00 0.00 H new ATOM 1640 N ARG A 101 3.359 0.999 -1.239 1.00 0.00 N ATOM 1641 CA ARG A 101 2.792 2.315 -1.511 1.00 0.00 C ATOM 1642 C ARG A 101 2.451 3.057 -0.219 1.00 0.00 C ATOM 1643 O ARG A 101 1.588 2.627 0.545 1.00 0.00 O ATOM 1644 CB ARG A 101 1.538 2.176 -2.376 1.00 0.00 C ATOM 1645 CG ARG A 101 1.611 2.947 -3.681 1.00 0.00 C ATOM 1646 CD ARG A 101 1.645 4.443 -3.433 1.00 0.00 C ATOM 1647 NE ARG A 101 1.187 5.203 -4.594 1.00 0.00 N ATOM 1648 CZ ARG A 101 1.874 5.309 -5.729 1.00 0.00 C ATOM 1649 NH1 ARG A 101 3.052 4.713 -5.859 1.00 0.00 N ATOM 1650 NH2 ARG A 101 1.382 6.015 -6.739 1.00 0.00 N ATOM 0 H ARG A 101 2.700 0.327 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 101 3.542 2.897 -2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.374 1.121 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.675 2.522 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.501 2.647 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.751 2.698 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.018 4.682 -2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.661 4.745 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 101 0.288 5.680 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.437 4.169 -5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.573 4.798 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.477 6.477 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.909 6.096 -7.609 1.00 0.00 H new ATOM 1664 N VAL A 102 3.126 4.180 0.008 1.00 0.00 N ATOM 1665 CA VAL A 102 2.889 4.992 1.196 1.00 0.00 C ATOM 1666 C VAL A 102 1.679 5.898 0.991 1.00 0.00 C ATOM 1667 O VAL A 102 1.759 6.906 0.287 1.00 0.00 O ATOM 1668 CB VAL A 102 4.120 5.856 1.540 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.995 6.445 2.939 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.396 5.036 1.409 1.00 0.00 C ATOM 0 H VAL A 102 3.843 4.549 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 102 2.698 4.310 2.025 1.00 0.00 H new ATOM 0 HB VAL A 102 4.169 6.683 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.875 7.050 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.103 7.069 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.918 5.638 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.256 5.659 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.355 4.188 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.492 4.673 0.386 1.00 0.00 H new ATOM 1680 N MET A 103 0.554 5.523 1.592 1.00 0.00 N ATOM 1681 CA MET A 103 -0.679 6.294 1.455 1.00 0.00 C ATOM 1682 C MET A 103 -0.850 7.306 2.587 1.00 0.00 C ATOM 1683 O MET A 103 -1.504 8.334 2.412 1.00 0.00 O ATOM 1684 CB MET A 103 -1.886 5.355 1.406 1.00 0.00 C ATOM 1685 CG MET A 103 -1.839 4.240 2.438 1.00 0.00 C ATOM 1686 SD MET A 103 -1.361 2.653 1.727 1.00 0.00 S ATOM 1687 CE MET A 103 -2.281 1.525 2.773 1.00 0.00 C ATOM 0 H MET A 103 0.470 4.692 2.178 1.00 0.00 H new ATOM 0 HA MET A 103 -0.613 6.852 0.521 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.794 5.938 1.556 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.951 4.914 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.134 4.508 3.225 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.818 4.143 2.907 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.632 0.707 3.085 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.642 2.057 3.653 1.00 0.00 H new ATOM 0 HE3 MET A 103 -3.129 1.124 2.218 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.267 7.015 3.746 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.371 7.914 4.893 1.00 0.00 C ATOM 1699 C PHE A 104 1.007 8.307 5.411 1.00 0.00 C ATOM 1700 O PHE A 104 1.975 7.564 5.251 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.182 7.260 6.014 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.652 7.162 5.718 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.137 6.170 4.883 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.545 8.062 6.275 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.488 6.075 4.609 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.898 7.973 6.006 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.370 6.977 5.172 1.00 0.00 C ATOM 0 H PHE A 104 0.279 6.170 3.916 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.884 8.817 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.790 6.260 6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.042 7.831 6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.452 5.462 4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.180 8.842 6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.854 5.297 3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.585 8.680 6.447 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.427 6.904 4.961 1.00 0.00 H new ATOM 1717 N GLU A 105 1.085 9.480 6.034 1.00 0.00 N ATOM 1718 CA GLU A 105 2.343 9.980 6.579 1.00 0.00 C ATOM 1719 C GLU A 105 2.086 10.967 7.716 1.00 0.00 C ATOM 1720 O GLU A 105 1.523 12.041 7.500 1.00 0.00 O ATOM 1721 CB GLU A 105 3.165 10.661 5.481 1.00 0.00 C ATOM 1722 CG GLU A 105 3.805 9.689 4.504 1.00 0.00 C ATOM 1723 CD GLU A 105 3.042 9.592 3.197 1.00 0.00 C ATOM 1724 OE1 GLU A 105 3.180 10.508 2.359 1.00 0.00 O ATOM 1725 OE2 GLU A 105 2.308 8.599 3.011 1.00 0.00 O ATOM 0 H GLU A 105 0.290 10.103 6.174 1.00 0.00 H new ATOM 0 HA GLU A 105 2.903 9.131 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.521 11.345 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.946 11.263 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.828 10.004 4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.861 8.702 4.963 1.00 0.00 H new ATOM 1732 N VAL A 106 2.503 10.601 8.924 1.00 0.00 N ATOM 1733 CA VAL A 106 2.315 11.463 10.087 1.00 0.00 C ATOM 1734 C VAL A 106 3.630 12.105 10.515 1.00 0.00 C ATOM 1735 O VAL A 106 4.703 11.529 10.330 1.00 0.00 O ATOM 1736 CB VAL A 106 1.721 10.695 11.283 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.338 10.164 10.944 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.645 9.565 11.716 1.00 0.00 C ATOM 0 H VAL A 106 2.972 9.717 9.123 1.00 0.00 H new ATOM 0 HA VAL A 106 1.612 12.239 9.785 1.00 0.00 H new ATOM 0 HB VAL A 106 1.625 11.388 12.119 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.065 9.625 11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.321 10.996 10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.406 9.490 10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.204 9.038 12.562 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.783 8.870 10.888 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.611 9.977 12.009 1.00 0.00 H new ATOM 1748 N ALA A 107 3.539 13.299 11.090 1.00 0.00 N ATOM 1749 CA ALA A 107 4.721 14.019 11.548 1.00 0.00 C ATOM 1750 C ALA A 107 4.415 14.837 12.797 1.00 0.00 C ATOM 1751 O ALA A 107 3.338 15.423 12.918 1.00 0.00 O ATOM 1752 CB ALA A 107 5.253 14.919 10.442 1.00 0.00 C ATOM 0 H ALA A 107 2.659 13.789 11.250 1.00 0.00 H new ATOM 0 HA ALA A 107 5.486 13.286 11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.136 15.450 10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.519 14.313 9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.486 15.639 10.158 1.00 0.00 H new ATOM 1758 N GLY A 108 5.367 14.875 13.721 1.00 0.00 N ATOM 1759 CA GLY A 108 5.179 15.625 14.949 1.00 0.00 C ATOM 1760 C GLY A 108 4.764 14.746 16.112 1.00 0.00 C ATOM 1761 O GLY A 108 5.022 15.077 17.269 1.00 0.00 O ATOM 0 H GLY A 108 6.266 14.400 13.642 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.106 16.141 15.201 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.421 16.392 14.789 1.00 0.00 H new ATOM 1765 N VAL A 109 4.118 13.624 15.808 1.00 0.00 N ATOM 1766 CA VAL A 109 3.669 12.701 16.842 1.00 0.00 C ATOM 1767 C VAL A 109 4.773 11.720 17.224 1.00 0.00 C ATOM 1768 O VAL A 109 5.711 11.500 16.459 1.00 0.00 O ATOM 1769 CB VAL A 109 2.423 11.914 16.395 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.264 12.863 16.129 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.729 11.067 15.166 1.00 0.00 C ATOM 0 H VAL A 109 3.895 13.334 14.856 1.00 0.00 H new ATOM 0 HA VAL A 109 3.410 13.305 17.712 1.00 0.00 H new ATOM 0 HB VAL A 109 2.134 11.239 17.201 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.391 12.292 15.814 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.028 13.414 17.040 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.541 13.565 15.342 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.834 10.520 14.869 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.047 11.714 14.348 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.525 10.360 15.400 1.00 0.00 H new ATOM 1781 N THR A 110 4.654 11.136 18.412 1.00 0.00 N ATOM 1782 CA THR A 110 5.644 10.180 18.895 1.00 0.00 C ATOM 1783 C THR A 110 5.627 8.907 18.055 1.00 0.00 C ATOM 1784 O THR A 110 4.764 8.730 17.196 1.00 0.00 O ATOM 1785 CB THR A 110 5.381 9.841 20.362 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.152 9.152 20.505 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.333 11.059 21.258 1.00 0.00 C ATOM 0 H THR A 110 3.883 11.308 19.057 1.00 0.00 H new ATOM 0 HA THR A 110 6.629 10.638 18.806 1.00 0.00 H new ATOM 0 HB THR A 110 6.220 9.217 20.670 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.144 8.670 21.358 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.143 10.748 22.285 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.287 11.585 21.209 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.535 11.723 20.927 1.00 0.00 H new ATOM 1795 N GLU A 111 6.587 8.025 18.309 1.00 0.00 N ATOM 1796 CA GLU A 111 6.683 6.767 17.577 1.00 0.00 C ATOM 1797 C GLU A 111 5.543 5.828 17.954 1.00 0.00 C ATOM 1798 O GLU A 111 5.024 5.096 17.113 1.00 0.00 O ATOM 1799 CB GLU A 111 8.029 6.094 17.855 1.00 0.00 C ATOM 1800 CG GLU A 111 8.222 4.786 17.105 1.00 0.00 C ATOM 1801 CD GLU A 111 8.121 3.574 18.010 1.00 0.00 C ATOM 1802 OE1 GLU A 111 9.071 3.329 18.783 1.00 0.00 O ATOM 1803 OE2 GLU A 111 7.091 2.870 17.947 1.00 0.00 O ATOM 0 H GLU A 111 7.310 8.158 19.016 1.00 0.00 H new ATOM 0 HA GLU A 111 6.608 6.988 16.512 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.832 6.780 17.584 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.118 5.906 18.925 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.473 4.710 16.317 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.197 4.791 16.618 1.00 0.00 H new ATOM 1810 N GLU A 112 5.157 5.855 19.226 1.00 0.00 N ATOM 1811 CA GLU A 112 4.078 5.005 19.716 1.00 0.00 C ATOM 1812 C GLU A 112 2.732 5.446 19.147 1.00 0.00 C ATOM 1813 O GLU A 112 1.915 4.616 18.748 1.00 0.00 O ATOM 1814 CB GLU A 112 4.034 5.033 21.245 1.00 0.00 C ATOM 1815 CG GLU A 112 4.780 3.880 21.897 1.00 0.00 C ATOM 1816 CD GLU A 112 6.284 3.994 21.740 1.00 0.00 C ATOM 1817 OE1 GLU A 112 6.782 3.773 20.617 1.00 0.00 O ATOM 1818 OE2 GLU A 112 6.963 4.304 22.742 1.00 0.00 O ATOM 0 H GLU A 112 5.575 6.456 19.936 1.00 0.00 H new ATOM 0 HA GLU A 112 4.273 3.986 19.383 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.459 5.974 21.595 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.994 5.012 21.571 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.531 3.845 22.958 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.443 2.940 21.459 1.00 0.00 H new ATOM 1825 N GLN A 113 2.509 6.756 19.113 1.00 0.00 N ATOM 1826 CA GLN A 113 1.261 7.303 18.593 1.00 0.00 C ATOM 1827 C GLN A 113 1.228 7.231 17.071 1.00 0.00 C ATOM 1828 O GLN A 113 0.183 6.976 16.473 1.00 0.00 O ATOM 1829 CB GLN A 113 1.084 8.752 19.052 1.00 0.00 C ATOM 1830 CG GLN A 113 1.251 8.938 20.550 1.00 0.00 C ATOM 1831 CD GLN A 113 1.478 10.388 20.934 1.00 0.00 C ATOM 1832 OE1 GLN A 113 0.999 11.302 20.264 1.00 0.00 O ATOM 1833 NE2 GLN A 113 2.214 10.604 22.018 1.00 0.00 N ATOM 0 H GLN A 113 3.175 7.457 19.439 1.00 0.00 H new ATOM 0 HA GLN A 113 0.439 6.703 18.984 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.808 9.380 18.533 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.093 9.099 18.759 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.363 8.565 21.060 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.093 8.338 20.896 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.591 9.816 22.544 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.402 11.558 22.325 1.00 0.00 H new ATOM 1842 N ALA A 114 2.379 7.460 16.451 1.00 0.00 N ATOM 1843 CA ALA A 114 2.484 7.423 14.999 1.00 0.00 C ATOM 1844 C ALA A 114 2.339 6.000 14.471 1.00 0.00 C ATOM 1845 O ALA A 114 1.580 5.747 13.536 1.00 0.00 O ATOM 1846 CB ALA A 114 3.811 8.017 14.557 1.00 0.00 C ATOM 0 H ALA A 114 3.253 7.673 16.932 1.00 0.00 H new ATOM 0 HA ALA A 114 1.671 8.019 14.584 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.880 7.985 13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.877 9.051 14.894 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.629 7.441 14.990 1.00 0.00 H new ATOM 1852 N MET A 115 3.071 5.071 15.079 1.00 0.00 N ATOM 1853 CA MET A 115 3.020 3.672 14.671 1.00 0.00 C ATOM 1854 C MET A 115 1.623 3.101 14.877 1.00 0.00 C ATOM 1855 O MET A 115 1.063 2.465 13.984 1.00 0.00 O ATOM 1856 CB MET A 115 4.042 2.852 15.460 1.00 0.00 C ATOM 1857 CG MET A 115 5.485 3.199 15.130 1.00 0.00 C ATOM 1858 SD MET A 115 6.336 1.880 14.242 1.00 0.00 S ATOM 1859 CE MET A 115 7.561 2.820 13.334 1.00 0.00 C ATOM 0 H MET A 115 3.705 5.262 15.855 1.00 0.00 H new ATOM 0 HA MET A 115 3.264 3.617 13.610 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.874 3.006 16.526 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.877 1.793 15.262 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.507 4.108 14.529 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.022 3.414 16.054 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.145 2.146 12.707 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.061 3.558 12.706 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.223 3.329 14.035 1.00 0.00 H new ATOM 1869 N GLU A 116 1.062 3.337 16.058 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.273 2.851 16.378 1.00 0.00 C ATOM 1871 C GLU A 116 -1.309 3.491 15.462 1.00 0.00 C ATOM 1872 O GLU A 116 -2.149 2.804 14.882 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.612 3.150 17.838 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.613 2.179 18.442 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.314 1.863 19.894 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.147 1.543 20.203 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.247 1.934 20.722 1.00 0.00 O ATOM 0 H GLU A 116 1.512 3.862 16.808 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.290 1.772 16.225 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.305 3.127 18.427 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.011 4.162 17.910 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.615 2.601 18.365 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.611 1.254 17.865 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.240 4.813 15.333 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.169 5.546 14.483 1.00 0.00 C ATOM 1886 C ALA A 117 -2.092 5.052 13.044 1.00 0.00 C ATOM 1887 O ALA A 117 -3.114 4.762 12.420 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.879 7.038 14.549 1.00 0.00 C ATOM 0 H ALA A 117 -0.551 5.397 15.806 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.180 5.370 14.849 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.580 7.574 13.909 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.988 7.385 15.577 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.861 7.226 14.208 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.874 4.947 12.524 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.665 4.476 11.161 1.00 0.00 C ATOM 1896 C LEU A 118 -1.192 3.053 11.005 1.00 0.00 C ATOM 1897 O LEU A 118 -1.638 2.659 9.927 1.00 0.00 O ATOM 1898 CB LEU A 118 0.824 4.528 10.801 1.00 0.00 C ATOM 1899 CG LEU A 118 1.297 5.800 10.082 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.413 6.991 10.422 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.745 6.098 10.436 1.00 0.00 C ATOM 0 H LEU A 118 -0.017 5.182 13.026 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.213 5.129 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.403 4.415 11.717 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.055 3.670 10.170 1.00 0.00 H new ATOM 0 HG LEU A 118 1.223 5.625 9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.775 7.875 9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.612 6.782 10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.442 7.170 11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.067 7.002 9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.834 6.244 11.513 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.374 5.262 10.130 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.144 2.289 12.093 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.622 0.913 12.084 1.00 0.00 C ATOM 1915 C ARG A 119 -3.147 0.878 12.061 1.00 0.00 C ATOM 1916 O ARG A 119 -3.749 0.064 11.360 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.100 0.158 13.307 1.00 0.00 C ATOM 1918 CG ARG A 119 0.190 -0.602 13.049 1.00 0.00 C ATOM 1919 CD ARG A 119 0.527 -1.537 14.200 1.00 0.00 C ATOM 1920 NE ARG A 119 -0.499 -2.559 14.395 1.00 0.00 N ATOM 1921 CZ ARG A 119 -0.360 -3.603 15.209 1.00 0.00 C ATOM 1922 NH1 ARG A 119 0.756 -3.767 15.906 1.00 0.00 N ATOM 1923 NH2 ARG A 119 -1.343 -4.487 15.326 1.00 0.00 N ATOM 0 H ARG A 119 -0.778 2.602 12.992 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.246 0.426 11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.938 0.867 14.119 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.864 -0.543 13.644 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.097 -1.177 12.128 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.007 0.105 12.902 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.486 -2.018 14.007 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.640 -0.958 15.116 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.373 -2.467 13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.515 -3.091 15.820 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.856 -4.569 16.528 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.204 -4.366 14.792 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.238 -5.287 15.949 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.765 1.773 12.827 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.220 1.852 12.889 1.00 0.00 C ATOM 1939 C ILE A 120 -5.805 2.065 11.497 1.00 0.00 C ATOM 1940 O ILE A 120 -6.759 1.394 11.106 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.682 2.992 13.821 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.208 2.730 15.252 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.198 3.143 13.784 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.038 3.990 16.072 1.00 0.00 C ATOM 0 H ILE A 120 -3.280 2.453 13.413 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.581 0.906 13.292 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.239 3.923 13.468 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.924 2.076 15.750 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.258 2.196 15.220 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.499 3.953 14.449 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.516 3.371 12.767 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.664 2.213 14.110 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.700 3.729 17.075 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.300 4.636 15.597 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.992 4.514 16.135 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.220 2.999 10.752 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.678 3.295 9.400 1.00 0.00 C ATOM 1958 C ALA A 121 -5.633 2.045 8.528 1.00 0.00 C ATOM 1959 O ALA A 121 -6.571 1.759 7.786 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.833 4.401 8.786 1.00 0.00 C ATOM 0 H ALA A 121 -4.429 3.563 11.062 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.712 3.635 9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.187 4.611 7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.915 5.302 9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.791 4.084 8.747 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.534 1.304 8.628 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.383 0.091 7.848 1.00 0.00 C ATOM 1968 C GLY A 122 -5.227 -1.052 8.381 1.00 0.00 C ATOM 1969 O GLY A 122 -5.541 -1.992 7.652 1.00 0.00 O ATOM 0 H GLY A 122 -3.745 1.523 9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.661 0.291 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.334 -0.207 7.845 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.596 -0.971 9.657 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.409 -2.007 10.281 1.00 0.00 C ATOM 1975 C HIS A 123 -7.746 -2.155 9.562 1.00 0.00 C ATOM 1976 O HIS A 123 -8.265 -3.262 9.418 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.642 -1.681 11.758 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.438 -2.852 12.669 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -5.492 -3.829 12.439 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -7.065 -3.202 13.818 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -5.546 -4.728 13.405 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -6.491 -4.371 14.254 1.00 0.00 N ATOM 0 H HIS A 123 -5.345 -0.200 10.276 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.871 -2.952 10.206 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.967 -0.878 12.055 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.658 -1.306 11.883 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -7.866 -2.663 14.301 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -4.923 -5.606 13.486 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -6.753 -4.881 15.098 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.297 -1.034 9.108 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.571 -1.041 8.399 1.00 0.00 C ATOM 1993 C LYS A 124 -9.368 -1.230 6.895 1.00 0.00 C ATOM 1994 O LYS A 124 -10.333 -1.244 6.130 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.337 0.258 8.666 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.692 1.489 8.047 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.042 2.370 9.101 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.081 3.054 9.976 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.533 3.407 11.314 1.00 0.00 N ATOM 0 H LYS A 124 -7.881 -0.109 9.219 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.155 -1.883 8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.351 0.157 8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.420 0.405 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.943 1.180 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.445 2.062 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -8.381 1.767 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.422 3.123 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.436 3.957 9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.942 2.397 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.250 3.931 11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.280 2.538 11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.686 3.999 11.197 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.113 -1.376 6.475 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.798 -1.563 5.064 1.00 0.00 C ATOM 2015 C LEU A 125 -7.925 -3.033 4.672 1.00 0.00 C ATOM 2016 O LEU A 125 -7.914 -3.917 5.530 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.382 -1.068 4.761 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.206 0.453 4.784 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.782 0.832 4.402 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.207 1.119 3.851 1.00 0.00 C ATOM 0 H LEU A 125 -7.301 -1.368 7.092 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.511 -0.981 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.697 -1.508 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.087 -1.437 3.779 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.394 0.807 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.676 1.917 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.084 0.385 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.565 0.466 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.068 2.200 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -7.051 0.760 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.220 0.875 4.170 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.048 -3.315 3.364 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.176 -4.669 2.853 1.00 0.00 C ATOM 2034 C PRO A 126 -6.828 -5.291 2.498 1.00 0.00 C ATOM 2035 O PRO A 126 -6.759 -6.233 1.709 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.028 -4.475 1.598 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.833 -3.046 1.176 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.073 -2.337 2.273 1.00 0.00 C ATOM 0 HA PRO A 126 -8.609 -5.350 3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.719 -5.160 0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.078 -4.680 1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.282 -2.997 0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.796 -2.564 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.066 -2.067 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -8.570 -1.414 2.573 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.759 -4.757 3.083 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.416 -5.262 2.824 1.00 0.00 C ATOM 2048 C ILE A 127 -3.498 -5.028 4.020 1.00 0.00 C ATOM 2049 O ILE A 127 -3.835 -4.281 4.939 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.799 -4.603 1.577 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -3.957 -3.083 1.640 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.445 -5.155 0.317 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.043 -2.420 2.646 1.00 0.00 C ATOM 0 H ILE A 127 -5.798 -3.976 3.738 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.510 -6.334 2.649 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.734 -4.835 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.761 -2.665 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.991 -2.844 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.000 -4.681 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.284 -6.232 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.515 -4.949 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.210 -1.343 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.254 -2.810 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.005 -2.628 2.387 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.338 -5.676 4.003 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.369 -5.545 5.086 1.00 0.00 C ATOM 2067 C LYS A 128 -0.507 -4.298 4.908 1.00 0.00 C ATOM 2068 O LYS A 128 0.092 -4.091 3.853 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.481 -6.789 5.157 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.258 -7.297 6.572 1.00 0.00 C ATOM 2071 CD LYS A 128 0.435 -6.256 7.435 1.00 0.00 C ATOM 2072 CE LYS A 128 1.187 -6.899 8.589 1.00 0.00 C ATOM 2073 NZ LYS A 128 1.050 -6.115 9.848 1.00 0.00 N ATOM 0 H LYS A 128 -2.045 -6.298 3.250 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.922 -5.446 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.933 -7.582 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.485 -6.562 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.216 -7.563 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.343 -8.206 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 128 1.129 -5.679 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.303 -5.556 7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.812 -7.910 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 128 2.242 -6.988 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.577 -6.587 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.431 -5.158 9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 0.046 -6.052 10.110 1.00 0.00 H new ATOM 2087 N THR A 129 -0.443 -3.478 5.951 1.00 0.00 N ATOM 2088 CA THR A 129 0.351 -2.254 5.921 1.00 0.00 C ATOM 2089 C THR A 129 1.309 -2.209 7.107 1.00 0.00 C ATOM 2090 O THR A 129 1.050 -2.816 8.146 1.00 0.00 O ATOM 2091 CB THR A 129 -0.558 -1.024 5.941 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.081 -0.811 7.239 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.727 -1.123 4.985 1.00 0.00 C ATOM 0 H THR A 129 -0.933 -3.639 6.831 1.00 0.00 H new ATOM 0 HA THR A 129 0.931 -2.248 4.998 1.00 0.00 H new ATOM 0 HB THR A 129 0.074 -0.194 5.627 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.603 -1.594 7.514 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.329 -0.217 5.052 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.356 -1.238 3.967 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.339 -1.986 5.247 1.00 0.00 H new ATOM 2101 N LYS A 130 2.416 -1.489 6.949 1.00 0.00 N ATOM 2102 CA LYS A 130 3.403 -1.378 8.017 1.00 0.00 C ATOM 2103 C LYS A 130 3.880 0.062 8.182 1.00 0.00 C ATOM 2104 O LYS A 130 3.842 0.851 7.237 1.00 0.00 O ATOM 2105 CB LYS A 130 4.597 -2.289 7.732 1.00 0.00 C ATOM 2106 CG LYS A 130 5.220 -2.063 6.365 1.00 0.00 C ATOM 2107 CD LYS A 130 6.559 -2.772 6.238 1.00 0.00 C ATOM 2108 CE LYS A 130 7.486 -2.040 5.283 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.920 -2.302 5.590 1.00 0.00 N ATOM 0 H LYS A 130 2.651 -0.977 6.098 1.00 0.00 H new ATOM 0 HA LYS A 130 2.925 -1.689 8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.356 -2.131 8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.277 -3.328 7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.542 -2.423 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.356 -0.994 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.028 -2.844 7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.401 -3.791 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.271 -2.350 4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.293 -0.969 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.520 -1.784 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.132 -1.983 6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.111 -3.321 5.512 1.00 0.00 H new ATOM 2123 N ILE A 131 4.335 0.394 9.387 1.00 0.00 N ATOM 2124 CA ILE A 131 4.829 1.738 9.672 1.00 0.00 C ATOM 2125 C ILE A 131 6.292 1.865 9.275 1.00 0.00 C ATOM 2126 O ILE A 131 7.102 0.985 9.567 1.00 0.00 O ATOM 2127 CB ILE A 131 4.700 2.105 11.166 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.481 1.426 11.799 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.621 3.617 11.333 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.184 1.713 11.081 1.00 0.00 C ATOM 0 H ILE A 131 4.372 -0.247 10.180 1.00 0.00 H new ATOM 0 HA ILE A 131 4.213 2.422 9.088 1.00 0.00 H new ATOM 0 HB ILE A 131 5.588 1.743 11.683 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.645 0.349 11.817 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.392 1.752 12.835 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.530 3.862 12.391 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.524 4.075 10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.752 3.997 10.797 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.367 1.199 11.587 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.995 2.787 11.086 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.252 1.361 10.052 1.00 0.00 H new ATOM 2142 N VAL A 132 6.631 2.965 8.614 1.00 0.00 N ATOM 2143 CA VAL A 132 8.003 3.196 8.190 1.00 0.00 C ATOM 2144 C VAL A 132 8.357 4.677 8.232 1.00 0.00 C ATOM 2145 O VAL A 132 7.657 5.511 7.659 1.00 0.00 O ATOM 2146 CB VAL A 132 8.258 2.669 6.763 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.777 1.234 6.621 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.592 3.568 5.733 1.00 0.00 C ATOM 0 H VAL A 132 5.978 3.706 8.362 1.00 0.00 H new ATOM 0 HA VAL A 132 8.634 2.650 8.891 1.00 0.00 H new ATOM 0 HB VAL A 132 9.333 2.682 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.968 0.885 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.310 0.600 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.707 1.187 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.784 3.179 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.517 3.593 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.997 4.577 5.814 1.00 0.00 H new ATOM 2158 N ARG A 133 9.459 4.993 8.893 1.00 0.00 N ATOM 2159 CA ARG A 133 9.923 6.367 8.985 1.00 0.00 C ATOM 2160 C ARG A 133 10.379 6.846 7.613 1.00 0.00 C ATOM 2161 O ARG A 133 10.549 6.043 6.699 1.00 0.00 O ATOM 2162 CB ARG A 133 11.056 6.490 10.004 1.00 0.00 C ATOM 2163 CG ARG A 133 10.944 7.721 10.889 1.00 0.00 C ATOM 2164 CD ARG A 133 11.558 7.482 12.259 1.00 0.00 C ATOM 2165 NE ARG A 133 11.209 8.538 13.205 1.00 0.00 N ATOM 2166 CZ ARG A 133 11.870 8.767 14.338 1.00 0.00 C ATOM 2167 NH1 ARG A 133 12.916 8.020 14.668 1.00 0.00 N ATOM 2168 NH2 ARG A 133 11.485 9.749 15.142 1.00 0.00 N ATOM 0 H ARG A 133 10.050 4.315 9.374 1.00 0.00 H new ATOM 0 HA ARG A 133 9.100 6.995 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.067 5.600 10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.009 6.518 9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.443 8.562 10.408 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.895 7.994 11.002 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.218 6.521 12.646 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.642 7.423 12.165 1.00 0.00 H new ATOM 0 HE ARG A 133 10.412 9.135 12.985 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.218 7.265 14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.418 8.201 15.537 1.00 0.00 H new ATOM 0 HH21 ARG A 133 10.683 10.328 14.892 1.00 0.00 H new ATOM 0 HH22 ARG A 133 11.991 9.925 16.010 1.00 0.00 H new