USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot -16:sc= -0.991 USER MOD Set 1.2: A 115 MET CE :methyl 173:sc= -2.38 (180deg=-2.86!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 45 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.3!) USER MOD Single : A 46 GLN : amide:sc= -0.44 K(o=-0.44,f=-3.1) USER MOD Single : A 54 MET CE :methyl 159:sc= -9.78! (180deg=-11!) USER MOD Single : A 57 HIS : no HE2:sc= -2.21 K(o=-2.2,f=-5.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -121:sc= -5.99! (180deg=-11.9!) USER MOD Single : A 110 THR OG1 : rot -160:sc= -1.27 USER MOD Single : A 113 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.9!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 171:sc= -0.529 (180deg=-0.724) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -70:sc= -0.893 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.281 12.257 9.089 1.00 0.00 N ATOM 508 CA ASP A 31 8.311 11.400 9.665 1.00 0.00 C ATOM 509 C ASP A 31 8.028 9.932 9.363 1.00 0.00 C ATOM 510 O ASP A 31 8.916 9.191 8.942 1.00 0.00 O ATOM 511 CB ASP A 31 8.394 11.615 11.177 1.00 0.00 C ATOM 512 CG ASP A 31 9.331 12.746 11.551 1.00 0.00 C ATOM 513 OD1 ASP A 31 10.540 12.483 11.725 1.00 0.00 O ATOM 514 OD2 ASP A 31 8.857 13.895 11.668 1.00 0.00 O ATOM 0 HA ASP A 31 9.266 11.667 9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.398 11.829 11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.732 10.695 11.654 1.00 0.00 H new ATOM 519 N TYR A 32 6.784 9.520 9.582 1.00 0.00 N ATOM 520 CA TYR A 32 6.381 8.140 9.337 1.00 0.00 C ATOM 521 C TYR A 32 5.474 8.045 8.117 1.00 0.00 C ATOM 522 O TYR A 32 5.039 9.059 7.571 1.00 0.00 O ATOM 523 CB TYR A 32 5.656 7.569 10.555 1.00 0.00 C ATOM 524 CG TYR A 32 6.575 7.190 11.689 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.502 6.165 11.546 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.512 7.854 12.906 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.341 5.814 12.585 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.347 7.508 13.951 1.00 0.00 C ATOM 529 CZ TYR A 32 8.260 6.488 13.786 1.00 0.00 C ATOM 530 OH TYR A 32 9.094 6.141 14.824 1.00 0.00 O ATOM 0 H TYR A 32 6.037 10.122 9.929 1.00 0.00 H new ATOM 0 HA TYR A 32 7.284 7.559 9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.935 8.303 10.914 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.090 6.689 10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.567 5.635 10.608 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.799 8.654 13.038 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.057 5.016 12.458 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.285 8.034 14.892 1.00 0.00 H new ATOM 0 HH TYR A 32 9.488 5.261 14.647 1.00 0.00 H new ATOM 540 N GLY A 33 5.192 6.817 7.698 1.00 0.00 N ATOM 541 CA GLY A 33 4.336 6.604 6.549 1.00 0.00 C ATOM 542 C GLY A 33 3.715 5.222 6.541 1.00 0.00 C ATOM 543 O GLY A 33 4.396 4.229 6.792 1.00 0.00 O ATOM 0 H GLY A 33 5.542 5.964 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.546 7.355 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.915 6.745 5.636 1.00 0.00 H new ATOM 547 N LEU A 34 2.421 5.153 6.251 1.00 0.00 N ATOM 548 CA LEU A 34 1.720 3.875 6.208 1.00 0.00 C ATOM 549 C LEU A 34 1.755 3.305 4.796 1.00 0.00 C ATOM 550 O LEU A 34 1.115 3.830 3.886 1.00 0.00 O ATOM 551 CB LEU A 34 0.271 4.040 6.678 1.00 0.00 C ATOM 552 CG LEU A 34 -0.395 2.775 7.234 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.925 1.913 6.100 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.573 1.981 8.105 1.00 0.00 C ATOM 0 H LEU A 34 1.838 5.963 6.043 1.00 0.00 H new ATOM 0 HA LEU A 34 2.223 3.181 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.243 4.811 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.324 4.404 5.841 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.233 3.081 7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.395 1.019 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.660 2.478 5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.101 1.623 5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.073 1.090 8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.439 1.686 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.900 2.598 8.942 1.00 0.00 H new ATOM 566 N VAL A 35 2.522 2.236 4.619 1.00 0.00 N ATOM 567 CA VAL A 35 2.657 1.604 3.314 1.00 0.00 C ATOM 568 C VAL A 35 1.755 0.385 3.178 1.00 0.00 C ATOM 569 O VAL A 35 1.542 -0.361 4.135 1.00 0.00 O ATOM 570 CB VAL A 35 4.114 1.174 3.051 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.661 0.394 4.235 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.214 0.350 1.772 1.00 0.00 C ATOM 0 H VAL A 35 3.059 1.790 5.362 1.00 0.00 H new ATOM 0 HA VAL A 35 2.357 2.350 2.579 1.00 0.00 H new ATOM 0 HB VAL A 35 4.717 2.073 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.690 0.099 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.632 1.019 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.053 -0.496 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.251 0.058 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.596 -0.543 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.866 0.945 0.928 1.00 0.00 H new ATOM 582 N ALA A 36 1.255 0.177 1.966 1.00 0.00 N ATOM 583 CA ALA A 36 0.404 -0.963 1.675 1.00 0.00 C ATOM 584 C ALA A 36 1.230 -2.076 1.048 1.00 0.00 C ATOM 585 O ALA A 36 1.670 -1.961 -0.096 1.00 0.00 O ATOM 586 CB ALA A 36 -0.732 -0.553 0.749 1.00 0.00 C ATOM 0 H ALA A 36 1.427 0.788 1.167 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.030 -1.329 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.361 -1.418 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.329 0.223 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.320 -0.170 -0.185 1.00 0.00 H new ATOM 592 N LEU A 37 1.454 -3.144 1.808 1.00 0.00 N ATOM 593 CA LEU A 37 2.243 -4.277 1.333 1.00 0.00 C ATOM 594 C LEU A 37 1.458 -5.139 0.346 1.00 0.00 C ATOM 595 O LEU A 37 1.985 -6.113 -0.190 1.00 0.00 O ATOM 596 CB LEU A 37 2.701 -5.129 2.517 1.00 0.00 C ATOM 597 CG LEU A 37 3.301 -4.343 3.684 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.251 -5.164 4.964 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.730 -3.931 3.369 1.00 0.00 C ATOM 0 H LEU A 37 1.099 -3.249 2.758 1.00 0.00 H new ATOM 0 HA LEU A 37 3.113 -3.879 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.850 -5.702 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.441 -5.848 2.164 1.00 0.00 H new ATOM 0 HG LEU A 37 2.707 -3.441 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.682 -4.588 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.215 -5.409 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.820 -6.084 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.141 -3.373 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.335 -4.821 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.740 -3.304 2.478 1.00 0.00 H new ATOM 611 N GLU A 38 0.198 -4.782 0.107 1.00 0.00 N ATOM 612 CA GLU A 38 -0.643 -5.533 -0.816 1.00 0.00 C ATOM 613 C GLU A 38 -1.537 -4.594 -1.621 1.00 0.00 C ATOM 614 O GLU A 38 -1.930 -3.531 -1.137 1.00 0.00 O ATOM 615 CB GLU A 38 -1.496 -6.548 -0.052 1.00 0.00 C ATOM 616 CG GLU A 38 -1.338 -7.975 -0.553 1.00 0.00 C ATOM 617 CD GLU A 38 -2.661 -8.611 -0.933 1.00 0.00 C ATOM 618 OE1 GLU A 38 -3.494 -8.835 -0.029 1.00 0.00 O ATOM 619 OE2 GLU A 38 -2.866 -8.883 -2.135 1.00 0.00 O ATOM 0 H GLU A 38 -0.260 -3.980 0.539 1.00 0.00 H new ATOM 0 HA GLU A 38 0.006 -6.068 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.231 -6.511 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.544 -6.259 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.675 -7.981 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.859 -8.576 0.220 1.00 0.00 H new ATOM 626 N PRO A 39 -1.867 -4.971 -2.867 1.00 0.00 N ATOM 627 CA PRO A 39 -2.715 -4.155 -3.739 1.00 0.00 C ATOM 628 C PRO A 39 -4.183 -4.198 -3.332 1.00 0.00 C ATOM 629 O PRO A 39 -4.746 -5.271 -3.115 1.00 0.00 O ATOM 630 CB PRO A 39 -2.521 -4.794 -5.113 1.00 0.00 C ATOM 631 CG PRO A 39 -2.203 -6.219 -4.821 1.00 0.00 C ATOM 632 CD PRO A 39 -1.437 -6.221 -3.525 1.00 0.00 C ATOM 0 HA PRO A 39 -2.444 -3.100 -3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.420 -4.705 -5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.713 -4.312 -5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.114 -6.812 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.611 -6.658 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.675 -7.096 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.360 -6.235 -3.695 1.00 0.00 H new ATOM 640 N ALA A 40 -4.799 -3.024 -3.229 1.00 0.00 N ATOM 641 CA ALA A 40 -6.204 -2.934 -2.847 1.00 0.00 C ATOM 642 C ALA A 40 -6.829 -1.632 -3.336 1.00 0.00 C ATOM 643 O ALA A 40 -6.136 -0.745 -3.836 1.00 0.00 O ATOM 644 CB ALA A 40 -6.347 -3.056 -1.337 1.00 0.00 C ATOM 0 H ALA A 40 -4.349 -2.125 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.736 -3.759 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.400 -2.987 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.950 -4.017 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.794 -2.251 -0.853 1.00 0.00 H new ATOM 650 N TRP A 41 -8.145 -1.524 -3.183 1.00 0.00 N ATOM 651 CA TRP A 41 -8.873 -0.332 -3.601 1.00 0.00 C ATOM 652 C TRP A 41 -9.326 0.470 -2.385 1.00 0.00 C ATOM 653 O TRP A 41 -10.259 0.077 -1.685 1.00 0.00 O ATOM 654 CB TRP A 41 -10.086 -0.717 -4.450 1.00 0.00 C ATOM 655 CG TRP A 41 -9.727 -1.199 -5.822 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.665 -0.798 -6.581 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.435 -2.169 -6.603 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.669 -1.460 -7.785 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.744 -2.308 -7.822 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.583 -2.936 -6.388 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.166 -3.182 -8.821 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -12.001 -3.803 -7.382 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.293 -3.920 -8.584 1.00 0.00 C ATOM 0 H TRP A 41 -8.730 -2.251 -2.771 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.203 0.284 -4.201 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.647 -1.497 -3.935 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.746 0.146 -4.538 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.929 -0.067 -6.279 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.983 -1.340 -8.530 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.134 -2.854 -5.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.623 -3.274 -9.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.888 -4.399 -7.228 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.644 -4.607 -9.340 1.00 0.00 H new ATOM 674 N ILE A 42 -8.657 1.590 -2.135 1.00 0.00 N ATOM 675 CA ILE A 42 -8.992 2.439 -0.997 1.00 0.00 C ATOM 676 C ILE A 42 -10.146 3.380 -1.325 1.00 0.00 C ATOM 677 O ILE A 42 -10.046 4.212 -2.227 1.00 0.00 O ATOM 678 CB ILE A 42 -7.780 3.271 -0.539 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.544 2.379 -0.401 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.084 3.970 0.777 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.675 1.331 0.682 1.00 0.00 C ATOM 0 H ILE A 42 -7.881 1.931 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.293 1.772 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.574 4.031 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.354 1.884 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.677 3.004 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.218 4.554 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.940 4.632 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.312 3.226 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.763 0.735 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.834 1.819 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.522 0.682 0.460 1.00 0.00 H new ATOM 693 N THR A 43 -11.240 3.242 -0.583 1.00 0.00 N ATOM 694 CA THR A 43 -12.417 4.078 -0.788 1.00 0.00 C ATOM 695 C THR A 43 -12.229 5.450 -0.157 1.00 0.00 C ATOM 696 O THR A 43 -11.238 5.700 0.530 1.00 0.00 O ATOM 697 CB THR A 43 -13.653 3.405 -0.191 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.298 2.596 0.915 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.391 2.534 -1.179 1.00 0.00 C ATOM 0 H THR A 43 -11.336 2.558 0.167 1.00 0.00 H new ATOM 0 HA THR A 43 -12.556 4.205 -1.862 1.00 0.00 H new ATOM 0 HB THR A 43 -14.310 4.220 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.102 2.175 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.257 2.086 -0.693 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.721 3.140 -2.023 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.728 1.746 -1.536 1.00 0.00 H new ATOM 707 N ALA A 44 -13.190 6.336 -0.389 1.00 0.00 N ATOM 708 CA ALA A 44 -13.136 7.681 0.161 1.00 0.00 C ATOM 709 C ALA A 44 -13.141 7.640 1.683 1.00 0.00 C ATOM 710 O ALA A 44 -12.374 8.347 2.336 1.00 0.00 O ATOM 711 CB ALA A 44 -14.306 8.508 -0.351 1.00 0.00 C ATOM 0 H ALA A 44 -14.016 6.145 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.208 8.149 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.253 9.512 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.262 8.566 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.243 8.038 -0.051 1.00 0.00 H new ATOM 717 N GLN A 45 -14.014 6.808 2.245 1.00 0.00 N ATOM 718 CA GLN A 45 -14.135 6.665 3.665 1.00 0.00 C ATOM 719 C GLN A 45 -12.834 6.200 4.306 1.00 0.00 C ATOM 720 O GLN A 45 -12.475 6.652 5.383 1.00 0.00 O ATOM 721 CB GLN A 45 -15.241 5.665 3.929 1.00 0.00 C ATOM 722 CG GLN A 45 -16.417 6.261 4.654 1.00 0.00 C ATOM 723 CD GLN A 45 -16.563 5.746 6.072 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.317 6.470 7.036 1.00 0.00 O ATOM 725 NE2 GLN A 45 -16.966 4.487 6.207 1.00 0.00 N ATOM 0 H GLN A 45 -14.653 6.218 1.712 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.368 7.633 4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.580 5.249 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.842 4.838 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.311 7.346 4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.329 6.041 4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -17.159 3.922 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.082 4.086 7.138 1.00 0.00 H new ATOM 734 N GLN A 46 -12.132 5.293 3.648 1.00 0.00 N ATOM 735 CA GLN A 46 -10.886 4.773 4.184 1.00 0.00 C ATOM 736 C GLN A 46 -9.878 5.896 4.409 1.00 0.00 C ATOM 737 O GLN A 46 -9.093 5.856 5.356 1.00 0.00 O ATOM 738 CB GLN A 46 -10.306 3.725 3.235 1.00 0.00 C ATOM 739 CG GLN A 46 -11.096 2.426 3.209 1.00 0.00 C ATOM 740 CD GLN A 46 -10.640 1.444 4.271 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.227 1.840 5.360 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.715 0.156 3.958 1.00 0.00 N ATOM 0 H GLN A 46 -12.402 4.903 2.745 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.095 4.306 5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.270 4.139 2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.278 3.510 3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.154 2.646 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.997 1.965 2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.064 -0.127 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.423 -0.551 4.633 1.00 0.00 H new ATOM 751 N ILE A 47 -9.904 6.896 3.537 1.00 0.00 N ATOM 752 CA ILE A 47 -8.990 8.025 3.647 1.00 0.00 C ATOM 753 C ILE A 47 -9.356 8.933 4.820 1.00 0.00 C ATOM 754 O ILE A 47 -8.498 9.293 5.626 1.00 0.00 O ATOM 755 CB ILE A 47 -8.970 8.859 2.350 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.742 7.953 1.139 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.892 9.932 2.426 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.210 8.560 -0.166 1.00 0.00 C ATOM 0 H ILE A 47 -10.547 6.948 2.747 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.998 7.607 3.820 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.937 9.350 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.679 7.722 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.263 7.009 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.890 10.512 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.095 10.592 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.918 9.461 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.017 7.863 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.279 8.765 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.671 9.490 -0.349 1.00 0.00 H new ATOM 770 N GLU A 48 -10.629 9.309 4.906 1.00 0.00 N ATOM 771 CA GLU A 48 -11.098 10.185 5.978 1.00 0.00 C ATOM 772 C GLU A 48 -11.400 9.400 7.254 1.00 0.00 C ATOM 773 O GLU A 48 -11.000 9.799 8.348 1.00 0.00 O ATOM 774 CB GLU A 48 -12.347 10.944 5.529 1.00 0.00 C ATOM 775 CG GLU A 48 -12.574 12.242 6.287 1.00 0.00 C ATOM 776 CD GLU A 48 -13.863 12.932 5.888 1.00 0.00 C ATOM 777 OE1 GLU A 48 -14.187 12.932 4.682 1.00 0.00 O ATOM 778 OE2 GLU A 48 -14.548 13.472 6.781 1.00 0.00 O ATOM 0 H GLU A 48 -11.354 9.022 4.248 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.300 10.894 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.266 11.164 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.218 10.301 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.593 12.035 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.735 12.915 6.107 1.00 0.00 H new ATOM 785 N ALA A 49 -12.113 8.290 7.106 1.00 0.00 N ATOM 786 CA ALA A 49 -12.480 7.450 8.245 1.00 0.00 C ATOM 787 C ALA A 49 -11.252 7.057 9.062 1.00 0.00 C ATOM 788 O ALA A 49 -11.253 7.159 10.289 1.00 0.00 O ATOM 789 CB ALA A 49 -13.224 6.205 7.774 1.00 0.00 C ATOM 0 H ALA A 49 -12.451 7.948 6.206 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.141 8.031 8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.489 5.592 8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.131 6.501 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.585 5.631 7.103 1.00 0.00 H new ATOM 795 N ALA A 50 -10.208 6.608 8.375 1.00 0.00 N ATOM 796 CA ALA A 50 -8.975 6.201 9.038 1.00 0.00 C ATOM 797 C ALA A 50 -8.272 7.393 9.680 1.00 0.00 C ATOM 798 O ALA A 50 -7.773 7.299 10.800 1.00 0.00 O ATOM 799 CB ALA A 50 -8.048 5.511 8.049 1.00 0.00 C ATOM 0 H ALA A 50 -10.191 6.517 7.359 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.235 5.499 9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.131 5.212 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.542 4.628 7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.806 6.197 7.238 1.00 0.00 H new ATOM 805 N ARG A 51 -8.238 8.512 8.964 1.00 0.00 N ATOM 806 CA ARG A 51 -7.593 9.721 9.466 1.00 0.00 C ATOM 807 C ARG A 51 -8.239 10.179 10.772 1.00 0.00 C ATOM 808 O ARG A 51 -7.549 10.563 11.716 1.00 0.00 O ATOM 809 CB ARG A 51 -7.672 10.838 8.423 1.00 0.00 C ATOM 810 CG ARG A 51 -6.351 11.560 8.202 1.00 0.00 C ATOM 811 CD ARG A 51 -6.519 13.071 8.244 1.00 0.00 C ATOM 812 NE ARG A 51 -6.091 13.705 6.998 1.00 0.00 N ATOM 813 CZ ARG A 51 -6.439 14.938 6.636 1.00 0.00 C ATOM 814 NH1 ARG A 51 -7.220 15.672 7.419 1.00 0.00 N ATOM 815 NH2 ARG A 51 -6.005 15.439 5.488 1.00 0.00 N ATOM 0 H ARG A 51 -8.649 8.607 8.035 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.546 9.491 9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.009 10.416 7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.425 11.562 8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.637 11.252 8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.934 11.267 7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.564 13.314 8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.941 13.477 9.074 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.491 13.171 6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.557 15.292 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.483 16.616 7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.405 14.880 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.272 16.384 5.211 1.00 0.00 H new ATOM 829 N VAL A 52 -9.566 10.131 10.818 1.00 0.00 N ATOM 830 CA VAL A 52 -10.305 10.538 12.007 1.00 0.00 C ATOM 831 C VAL A 52 -9.880 9.720 13.222 1.00 0.00 C ATOM 832 O VAL A 52 -9.732 10.253 14.321 1.00 0.00 O ATOM 833 CB VAL A 52 -11.826 10.384 11.803 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.585 10.908 13.012 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.270 11.095 10.532 1.00 0.00 C ATOM 0 H VAL A 52 -10.152 9.814 10.045 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.075 11.589 12.181 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.053 9.323 11.695 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.656 10.790 12.848 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.290 10.347 13.898 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.354 11.963 13.157 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.346 10.975 10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.029 12.156 10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.753 10.664 9.675 1.00 0.00 H new ATOM 845 N ALA A 53 -9.684 8.422 13.015 1.00 0.00 N ATOM 846 CA ALA A 53 -9.275 7.529 14.090 1.00 0.00 C ATOM 847 C ALA A 53 -7.840 7.809 14.523 1.00 0.00 C ATOM 848 O ALA A 53 -7.512 7.745 15.707 1.00 0.00 O ATOM 849 CB ALA A 53 -9.426 6.079 13.654 1.00 0.00 C ATOM 0 H ALA A 53 -9.802 7.966 12.111 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.924 7.709 14.947 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.117 5.421 14.466 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.468 5.881 13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.801 5.895 12.780 1.00 0.00 H new ATOM 855 N MET A 54 -6.986 8.117 13.552 1.00 0.00 N ATOM 856 CA MET A 54 -5.583 8.405 13.827 1.00 0.00 C ATOM 857 C MET A 54 -5.426 9.749 14.534 1.00 0.00 C ATOM 858 O MET A 54 -4.701 9.859 15.522 1.00 0.00 O ATOM 859 CB MET A 54 -4.779 8.405 12.526 1.00 0.00 C ATOM 860 CG MET A 54 -4.724 7.049 11.846 1.00 0.00 C ATOM 861 SD MET A 54 -3.374 6.922 10.658 1.00 0.00 S ATOM 862 CE MET A 54 -4.118 7.686 9.220 1.00 0.00 C ATOM 0 H MET A 54 -7.242 8.174 12.566 1.00 0.00 H new ATOM 0 HA MET A 54 -5.202 7.625 14.486 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.216 9.129 11.839 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.763 8.738 12.737 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.612 6.272 12.602 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.670 6.864 11.337 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.335 8.022 8.540 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.754 6.961 8.711 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.719 8.540 9.532 1.00 0.00 H new ATOM 872 N VAL A 55 -6.106 10.767 14.018 1.00 0.00 N ATOM 873 CA VAL A 55 -6.039 12.105 14.596 1.00 0.00 C ATOM 874 C VAL A 55 -6.448 12.094 16.067 1.00 0.00 C ATOM 875 O VAL A 55 -5.929 12.868 16.871 1.00 0.00 O ATOM 876 CB VAL A 55 -6.942 13.092 13.828 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.816 14.495 14.401 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.602 13.082 12.345 1.00 0.00 C ATOM 0 H VAL A 55 -6.710 10.691 13.200 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.003 12.433 14.516 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.977 12.771 13.944 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.461 15.175 13.844 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.115 14.488 15.449 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.782 14.829 14.321 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.249 13.784 11.819 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.561 13.375 12.208 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.752 12.080 11.944 1.00 0.00 H new ATOM 888 N ARG A 56 -7.385 11.218 16.408 1.00 0.00 N ATOM 889 CA ARG A 56 -7.868 11.110 17.778 1.00 0.00 C ATOM 890 C ARG A 56 -6.849 10.403 18.669 1.00 0.00 C ATOM 891 O ARG A 56 -6.780 10.659 19.872 1.00 0.00 O ATOM 892 CB ARG A 56 -9.198 10.356 17.807 1.00 0.00 C ATOM 893 CG ARG A 56 -10.398 11.226 17.468 1.00 0.00 C ATOM 894 CD ARG A 56 -11.550 10.396 16.923 1.00 0.00 C ATOM 895 NE ARG A 56 -12.799 11.152 16.884 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.472 11.529 17.969 1.00 0.00 C ATOM 897 NH1 ARG A 56 -13.020 11.221 19.178 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.600 12.215 17.845 1.00 0.00 N ATOM 0 H ARG A 56 -7.826 10.572 15.754 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.016 12.118 18.165 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.151 9.526 17.102 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.340 9.925 18.798 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.724 11.762 18.359 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.109 11.977 16.732 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.304 10.050 15.919 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.682 9.509 17.542 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.178 11.406 15.972 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.153 10.693 19.279 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.539 11.512 20.006 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.952 12.454 16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.115 12.504 18.677 1.00 0.00 H new ATOM 912 N HIS A 57 -6.065 9.510 18.075 1.00 0.00 N ATOM 913 CA HIS A 57 -5.056 8.762 18.819 1.00 0.00 C ATOM 914 C HIS A 57 -3.997 9.696 19.400 1.00 0.00 C ATOM 915 O HIS A 57 -3.728 9.672 20.602 1.00 0.00 O ATOM 916 CB HIS A 57 -4.392 7.720 17.918 1.00 0.00 C ATOM 917 CG HIS A 57 -3.831 6.552 18.668 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.479 5.956 19.729 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.673 5.868 18.506 1.00 0.00 C ATOM 920 CE1 HIS A 57 -3.744 4.959 20.188 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.643 4.883 19.463 1.00 0.00 N ATOM 0 H HIS A 57 -6.108 9.286 17.081 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.557 8.254 19.643 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.122 7.360 17.194 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.591 8.197 17.353 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.385 6.241 20.102 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.914 6.061 17.762 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.000 4.315 21.016 1.00 0.00 H new ATOM 930 N PHE A 58 -3.396 10.515 18.542 1.00 0.00 N ATOM 931 CA PHE A 58 -2.364 11.454 18.976 1.00 0.00 C ATOM 932 C PHE A 58 -2.879 12.354 20.094 1.00 0.00 C ATOM 933 O PHE A 58 -3.553 13.353 19.840 1.00 0.00 O ATOM 934 CB PHE A 58 -1.887 12.308 17.798 1.00 0.00 C ATOM 935 CG PHE A 58 -1.680 11.529 16.529 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.653 10.604 16.424 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.516 11.723 15.441 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.464 9.888 15.258 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.331 11.010 14.272 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.304 10.090 14.181 1.00 0.00 C ATOM 0 H PHE A 58 -3.604 10.548 17.544 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.524 10.874 19.358 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.616 13.097 17.614 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.951 12.796 18.070 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.007 10.441 17.263 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.321 12.440 15.508 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.340 9.171 15.189 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.988 11.172 13.430 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.159 9.530 13.269 1.00 0.00 H new ATOM 950 N ARG A 59 -2.560 11.993 21.333 1.00 0.00 N ATOM 951 CA ARG A 59 -2.992 12.766 22.492 1.00 0.00 C ATOM 952 C ARG A 59 -2.364 14.157 22.487 1.00 0.00 C ATOM 953 O ARG A 59 -2.976 15.126 22.940 1.00 0.00 O ATOM 954 CB ARG A 59 -2.626 12.036 23.784 1.00 0.00 C ATOM 955 CG ARG A 59 -3.439 10.776 24.018 1.00 0.00 C ATOM 956 CD ARG A 59 -2.696 9.794 24.910 1.00 0.00 C ATOM 957 NE ARG A 59 -2.425 10.354 26.232 1.00 0.00 N ATOM 958 CZ ARG A 59 -1.428 9.955 27.019 1.00 0.00 C ATOM 959 NH1 ARG A 59 -0.605 8.990 26.627 1.00 0.00 N ATOM 960 NH2 ARG A 59 -1.254 10.523 28.205 1.00 0.00 N ATOM 0 H ARG A 59 -2.003 11.169 21.560 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.075 12.876 22.438 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.568 11.777 23.758 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.768 12.712 24.627 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.393 11.037 24.477 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.664 10.303 23.062 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.285 8.883 25.016 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.756 9.513 24.436 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.037 11.096 26.573 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.734 8.548 25.717 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.156 8.690 27.236 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.884 11.264 28.513 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.491 10.219 28.809 1.00 0.00 H new ATOM 974 N ARG A 60 -1.141 14.248 21.977 1.00 0.00 N ATOM 975 CA ARG A 60 -0.432 15.521 21.917 1.00 0.00 C ATOM 976 C ARG A 60 -0.585 16.169 20.544 1.00 0.00 C ATOM 977 O ARG A 60 0.322 16.848 20.063 1.00 0.00 O ATOM 978 CB ARG A 60 1.051 15.318 22.234 1.00 0.00 C ATOM 979 CG ARG A 60 1.302 14.712 23.605 1.00 0.00 C ATOM 980 CD ARG A 60 1.694 15.773 24.622 1.00 0.00 C ATOM 981 NE ARG A 60 1.463 15.328 25.994 1.00 0.00 N ATOM 982 CZ ARG A 60 0.271 15.333 26.584 1.00 0.00 C ATOM 983 NH1 ARG A 60 -0.802 15.755 25.925 1.00 0.00 N ATOM 984 NH2 ARG A 60 0.150 14.915 27.837 1.00 0.00 N ATOM 0 H ARG A 60 -0.620 13.456 21.599 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.870 16.185 22.662 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.491 14.672 21.474 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.562 16.279 22.171 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.405 14.195 23.945 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.093 13.965 23.534 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.747 16.025 24.495 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.123 16.683 24.435 1.00 0.00 H new ATOM 0 HE ARG A 60 2.263 14.994 26.531 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.714 16.077 24.961 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.714 15.757 26.383 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.971 14.590 28.348 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.764 14.919 28.290 1.00 0.00 H new ATOM 998 N GLY A 61 -1.738 15.955 19.919 1.00 0.00 N ATOM 999 CA GLY A 61 -1.987 16.525 18.609 1.00 0.00 C ATOM 1000 C GLY A 61 -1.119 15.906 17.532 1.00 0.00 C ATOM 1001 O GLY A 61 -0.050 15.369 17.820 1.00 0.00 O ATOM 0 H GLY A 61 -2.504 15.397 20.297 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.037 16.386 18.350 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.807 17.599 18.644 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.580 15.980 16.288 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.825 15.418 15.184 1.00 0.00 C ATOM 1007 C GLY A 62 -1.486 15.666 13.844 1.00 0.00 C ATOM 1008 O GLY A 62 -2.707 15.800 13.761 1.00 0.00 O ATOM 0 H GLY A 62 -2.462 16.419 16.025 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.177 15.848 15.177 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.710 14.345 15.336 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.678 15.727 12.791 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.189 15.960 11.445 1.00 0.00 C ATOM 1014 C LYS A 63 -0.771 14.835 10.505 1.00 0.00 C ATOM 1015 O LYS A 63 0.394 14.438 10.475 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.686 17.302 10.912 1.00 0.00 C ATOM 1017 CG LYS A 63 0.829 17.404 10.854 1.00 0.00 C ATOM 1018 CD LYS A 63 1.301 18.826 11.112 1.00 0.00 C ATOM 1019 CE LYS A 63 2.801 18.879 11.361 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.119 18.995 12.811 1.00 0.00 N ATOM 0 H LYS A 63 0.335 15.618 12.844 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.278 15.983 11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.091 17.461 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.072 18.102 11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.269 16.734 11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.180 17.075 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.051 19.454 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.773 19.235 11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.268 17.981 10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.228 19.728 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.151 19.028 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.695 19.865 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.734 18.173 13.318 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.728 14.323 9.737 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.454 13.243 8.796 1.00 0.00 C ATOM 1036 C ILE A 64 -1.589 13.719 7.355 1.00 0.00 C ATOM 1037 O ILE A 64 -2.539 14.422 7.009 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.400 12.042 9.008 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.729 11.860 10.491 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.776 10.774 8.445 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.713 10.742 10.754 1.00 0.00 C ATOM 0 H ILE A 64 -2.698 14.638 9.748 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.428 12.926 8.984 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.330 12.243 8.476 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.808 11.660 11.038 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.136 12.792 10.883 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.454 9.935 8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.595 10.900 7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.832 10.577 8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.902 10.668 11.825 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.648 10.951 10.234 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.299 9.801 10.392 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.636 13.327 6.517 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.651 13.706 5.111 1.00 0.00 C ATOM 1055 C PHE A 65 -0.988 12.504 4.237 1.00 0.00 C ATOM 1056 O PHE A 65 -0.186 11.580 4.098 1.00 0.00 O ATOM 1057 CB PHE A 65 0.702 14.290 4.701 1.00 0.00 C ATOM 1058 CG PHE A 65 1.114 15.481 5.516 1.00 0.00 C ATOM 1059 CD1 PHE A 65 1.848 15.321 6.680 1.00 0.00 C ATOM 1060 CD2 PHE A 65 0.767 16.764 5.119 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.229 16.416 7.433 1.00 0.00 C ATOM 1062 CE2 PHE A 65 1.146 17.862 5.866 1.00 0.00 C ATOM 1063 CZ PHE A 65 1.877 17.688 7.026 1.00 0.00 C ATOM 0 H PHE A 65 0.157 12.746 6.788 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.419 14.467 4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.465 13.517 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.662 14.576 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.126 14.329 7.003 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.194 16.906 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.801 16.277 8.338 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.871 18.856 5.544 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.172 18.545 7.613 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.183 12.517 3.656 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.630 11.424 2.801 1.00 0.00 C ATOM 1075 C ILE A 66 -2.186 11.637 1.358 1.00 0.00 C ATOM 1076 O ILE A 66 -2.321 12.731 0.812 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.166 11.262 2.835 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.734 11.707 4.189 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.552 9.818 2.546 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -4.037 11.081 5.378 1.00 0.00 C ATOM 0 H ILE A 66 -2.860 13.273 3.762 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.171 10.516 3.192 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.593 11.900 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.659 12.792 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.794 11.457 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.637 9.719 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.186 9.534 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.109 9.165 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.493 11.443 6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.134 9.997 5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.981 11.352 5.365 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.654 10.583 0.747 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.188 10.654 -0.634 1.00 0.00 C ATOM 1094 C ARG A 67 -2.017 9.747 -1.539 1.00 0.00 C ATOM 1095 O ARG A 67 -1.543 9.298 -2.584 1.00 0.00 O ATOM 1096 CB ARG A 67 0.292 10.266 -0.713 1.00 0.00 C ATOM 1097 CG ARG A 67 1.191 11.395 -1.193 1.00 0.00 C ATOM 1098 CD ARG A 67 2.051 10.967 -2.373 1.00 0.00 C ATOM 1099 NE ARG A 67 1.579 11.542 -3.630 1.00 0.00 N ATOM 1100 CZ ARG A 67 1.666 12.835 -3.932 1.00 0.00 C ATOM 1101 NH1 ARG A 67 2.205 13.691 -3.072 1.00 0.00 N ATOM 1102 NH2 ARG A 67 1.213 13.276 -5.099 1.00 0.00 N ATOM 0 H ARG A 67 -1.535 9.670 1.186 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.307 11.681 -0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.627 9.939 0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.401 9.415 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.579 12.250 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.833 11.722 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.083 11.272 -2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.049 9.880 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 67 1.158 10.916 -4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.555 13.359 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.269 14.681 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.798 12.624 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.280 14.267 -5.330 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.256 9.482 -1.137 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.147 8.632 -1.917 1.00 0.00 C ATOM 1118 C ILE A 68 -5.485 9.323 -2.162 1.00 0.00 C ATOM 1119 O ILE A 68 -6.080 9.887 -1.244 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.398 7.281 -1.216 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.093 7.495 0.129 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.087 6.532 -1.026 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.388 6.208 0.868 1.00 0.00 C ATOM 0 H ILE A 68 -3.665 9.844 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.654 8.448 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.052 6.680 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.466 8.129 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.027 8.033 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.280 5.581 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.629 6.348 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.412 7.130 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.881 6.436 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.040 5.581 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.455 5.679 1.064 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.954 9.275 -3.404 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.222 9.898 -3.765 1.00 0.00 C ATOM 1137 C PHE A 69 -8.056 8.967 -4.644 1.00 0.00 C ATOM 1138 O PHE A 69 -7.520 8.276 -5.511 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.975 11.224 -4.488 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.571 12.410 -3.785 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -6.964 12.941 -2.659 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.740 12.991 -4.250 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -7.512 14.033 -2.010 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -9.292 14.082 -3.605 1.00 0.00 C ATOM 1145 CZ PHE A 69 -8.676 14.603 -2.483 1.00 0.00 C ATOM 0 H PHE A 69 -5.476 8.812 -4.177 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.778 10.093 -2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.901 11.376 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.389 11.162 -5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.053 12.498 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.225 12.587 -5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.029 14.439 -1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.203 14.526 -3.977 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.105 15.455 -1.977 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.383 8.938 -4.433 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.286 8.087 -5.211 1.00 0.00 C ATOM 1157 C PRO A 70 -10.555 8.653 -6.602 1.00 0.00 C ATOM 1158 O PRO A 70 -11.018 9.785 -6.743 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.566 8.087 -4.377 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.556 9.402 -3.679 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.109 9.730 -3.420 1.00 0.00 C ATOM 0 HA PRO A 70 -9.871 7.094 -5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.450 7.978 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.577 7.261 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.026 10.171 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.117 9.351 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.914 10.797 -3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.811 9.455 -2.408 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.416 4.645 -5.893 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.366 4.126 -5.025 1.00 0.00 C ATOM 1541 C VAL A 94 -9.983 4.504 -5.543 1.00 0.00 C ATOM 1542 O VAL A 94 -9.846 5.041 -6.643 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.445 2.593 -4.895 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.553 2.191 -3.934 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.652 1.949 -6.259 1.00 0.00 C ATOM 0 HA VAL A 94 -11.522 4.577 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.499 2.235 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.591 1.104 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.354 2.618 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.508 2.562 -4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.705 0.866 -6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.581 2.314 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.818 2.205 -6.913 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.961 4.214 -4.745 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.585 4.514 -5.120 1.00 0.00 C ATOM 1557 C ALA A 95 -6.748 3.241 -5.163 1.00 0.00 C ATOM 1558 O ALA A 95 -6.347 2.715 -4.125 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.979 5.517 -4.150 1.00 0.00 C ATOM 0 H ALA A 95 -9.061 3.770 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.589 4.953 -6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.951 5.731 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.561 6.438 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.990 5.101 -3.143 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.494 2.745 -6.370 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.712 1.527 -6.545 1.00 0.00 C ATOM 1567 C VAL A 96 -4.296 1.696 -6.006 1.00 0.00 C ATOM 1568 O VAL A 96 -3.607 2.664 -6.329 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.639 1.101 -8.023 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.180 -0.344 -8.136 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.986 1.290 -8.705 1.00 0.00 C ATOM 0 H VAL A 96 -6.818 3.167 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.224 0.748 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.911 1.736 -8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.134 -0.630 -9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.192 -0.448 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.885 -0.992 -7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.912 0.983 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.738 0.683 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.275 2.340 -8.655 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.872 0.745 -5.182 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.541 0.780 -4.589 1.00 0.00 C ATOM 1583 C VAL A 97 -1.791 -0.523 -4.848 1.00 0.00 C ATOM 1584 O VAL A 97 -2.395 -1.541 -5.184 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.611 1.024 -3.069 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.231 1.327 -2.512 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.580 2.152 -2.749 1.00 0.00 C ATOM 0 H VAL A 97 -4.433 -0.062 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.006 1.605 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.979 0.115 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.301 1.496 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.568 0.483 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.832 2.219 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.614 2.307 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.246 3.068 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.575 1.890 -3.109 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.472 -0.484 -4.687 1.00 0.00 N ATOM 1598 CA LYS A 98 0.364 -1.662 -4.897 1.00 0.00 C ATOM 1599 C LYS A 98 1.311 -1.866 -3.714 1.00 0.00 C ATOM 1600 O LYS A 98 1.579 -0.933 -2.959 1.00 0.00 O ATOM 1601 CB LYS A 98 1.168 -1.522 -6.192 1.00 0.00 C ATOM 1602 CG LYS A 98 0.346 -1.766 -7.448 1.00 0.00 C ATOM 1603 CD LYS A 98 0.853 -2.972 -8.226 1.00 0.00 C ATOM 1604 CE LYS A 98 0.953 -2.675 -9.716 1.00 0.00 C ATOM 1605 NZ LYS A 98 2.367 -2.664 -10.185 1.00 0.00 N ATOM 0 H LYS A 98 0.042 0.353 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.287 -2.533 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.597 -0.521 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.001 -2.225 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.698 -1.921 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.381 -0.881 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.832 -3.266 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.183 -3.817 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.391 -3.424 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.493 -1.709 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.393 -2.458 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.898 -1.932 -9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.799 -3.594 -10.008 1.00 0.00 H new ATOM 1619 N PRO A 99 1.836 -3.091 -3.537 1.00 0.00 N ATOM 1620 CA PRO A 99 2.757 -3.398 -2.436 1.00 0.00 C ATOM 1621 C PRO A 99 3.922 -2.418 -2.369 1.00 0.00 C ATOM 1622 O PRO A 99 4.678 -2.271 -3.329 1.00 0.00 O ATOM 1623 CB PRO A 99 3.257 -4.806 -2.769 1.00 0.00 C ATOM 1624 CG PRO A 99 2.178 -5.403 -3.605 1.00 0.00 C ATOM 1625 CD PRO A 99 1.578 -4.267 -4.388 1.00 0.00 C ATOM 0 HA PRO A 99 2.269 -3.327 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.203 -4.773 -3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.426 -5.390 -1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.579 -6.166 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.426 -5.887 -2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.044 -4.164 -5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.511 -4.415 -4.557 1.00 0.00 H new ATOM 1633 N GLY A 100 4.055 -1.746 -1.231 1.00 0.00 N ATOM 1634 CA GLY A 100 5.124 -0.783 -1.060 1.00 0.00 C ATOM 1635 C GLY A 100 4.691 0.624 -1.422 1.00 0.00 C ATOM 1636 O GLY A 100 5.492 1.420 -1.911 1.00 0.00 O ATOM 0 H GLY A 100 3.440 -1.852 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.465 -0.801 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.973 -1.071 -1.680 1.00 0.00 H new ATOM 1640 N ARG A 101 3.415 0.927 -1.191 1.00 0.00 N ATOM 1641 CA ARG A 101 2.875 2.246 -1.507 1.00 0.00 C ATOM 1642 C ARG A 101 2.521 3.027 -0.244 1.00 0.00 C ATOM 1643 O ARG A 101 1.649 2.623 0.525 1.00 0.00 O ATOM 1644 CB ARG A 101 1.635 2.102 -2.388 1.00 0.00 C ATOM 1645 CG ARG A 101 1.913 2.298 -3.868 1.00 0.00 C ATOM 1646 CD ARG A 101 2.162 3.760 -4.189 1.00 0.00 C ATOM 1647 NE ARG A 101 1.641 4.129 -5.503 1.00 0.00 N ATOM 1648 CZ ARG A 101 2.140 3.679 -6.652 1.00 0.00 C ATOM 1649 NH1 ARG A 101 3.171 2.844 -6.653 1.00 0.00 N ATOM 1650 NH2 ARG A 101 1.605 4.066 -7.803 1.00 0.00 N ATOM 0 H ARG A 101 2.739 0.279 -0.788 1.00 0.00 H new ATOM 0 HA ARG A 101 3.645 2.802 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.205 1.112 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.887 2.827 -2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.780 1.706 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.067 1.933 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.695 4.383 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.233 3.961 -4.154 1.00 0.00 H new ATOM 0 HE ARG A 101 0.848 4.769 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.585 2.544 -5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.550 2.502 -7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.812 4.708 -7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.987 3.722 -8.684 1.00 0.00 H new ATOM 1664 N VAL A 102 3.194 4.158 -0.046 1.00 0.00 N ATOM 1665 CA VAL A 102 2.943 5.008 1.113 1.00 0.00 C ATOM 1666 C VAL A 102 1.693 5.855 0.898 1.00 0.00 C ATOM 1667 O VAL A 102 1.714 6.827 0.142 1.00 0.00 O ATOM 1668 CB VAL A 102 4.138 5.938 1.401 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.980 6.612 2.755 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.448 5.166 1.331 1.00 0.00 C ATOM 0 H VAL A 102 3.918 4.507 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 102 2.797 4.349 1.969 1.00 0.00 H new ATOM 0 HB VAL A 102 4.160 6.714 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.834 7.264 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.064 7.203 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.929 5.853 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.279 5.840 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.438 4.365 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.566 4.739 0.335 1.00 0.00 H new ATOM 1680 N MET A 103 0.602 5.475 1.555 1.00 0.00 N ATOM 1681 CA MET A 103 -0.661 6.196 1.422 1.00 0.00 C ATOM 1682 C MET A 103 -0.843 7.230 2.533 1.00 0.00 C ATOM 1683 O MET A 103 -1.535 8.231 2.349 1.00 0.00 O ATOM 1684 CB MET A 103 -1.835 5.215 1.426 1.00 0.00 C ATOM 1685 CG MET A 103 -1.740 4.152 2.509 1.00 0.00 C ATOM 1686 SD MET A 103 -1.278 2.533 1.861 1.00 0.00 S ATOM 1687 CE MET A 103 -2.171 1.455 2.980 1.00 0.00 C ATOM 0 H MET A 103 0.566 4.673 2.184 1.00 0.00 H new ATOM 0 HA MET A 103 -0.636 6.728 0.471 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.762 5.773 1.557 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.892 4.726 0.453 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.007 4.463 3.254 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.700 4.073 3.020 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.468 0.796 3.490 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.704 2.056 3.717 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.885 0.856 2.415 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.224 6.986 3.684 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.332 7.903 4.815 1.00 0.00 C ATOM 1699 C PHE A 104 1.046 8.351 5.292 1.00 0.00 C ATOM 1700 O PHE A 104 2.059 7.731 4.966 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.091 7.245 5.968 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.573 7.150 5.739 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.102 6.150 4.939 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.436 8.061 6.325 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.465 6.060 4.728 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.800 7.977 6.119 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.315 6.975 5.319 1.00 0.00 C ATOM 0 H PHE A 104 0.355 6.165 3.858 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.884 8.781 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.692 6.243 6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -0.909 7.811 6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.442 5.432 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.038 8.846 6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.865 5.276 4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.462 8.693 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.380 6.907 5.156 1.00 0.00 H new ATOM 1717 N GLU A 105 1.074 9.432 6.065 1.00 0.00 N ATOM 1718 CA GLU A 105 2.326 9.966 6.590 1.00 0.00 C ATOM 1719 C GLU A 105 2.064 10.962 7.717 1.00 0.00 C ATOM 1720 O GLU A 105 1.479 12.022 7.495 1.00 0.00 O ATOM 1721 CB GLU A 105 3.125 10.640 5.474 1.00 0.00 C ATOM 1722 CG GLU A 105 4.102 9.708 4.774 1.00 0.00 C ATOM 1723 CD GLU A 105 3.808 9.555 3.295 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.615 9.482 2.932 1.00 0.00 O ATOM 1725 OE2 GLU A 105 4.770 9.509 2.500 1.00 0.00 O ATOM 0 H GLU A 105 0.244 9.956 6.342 1.00 0.00 H new ATOM 0 HA GLU A 105 2.906 9.135 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.432 11.046 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.676 11.483 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.115 10.089 4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.068 8.728 5.250 1.00 0.00 H new ATOM 1732 N VAL A 106 2.501 10.614 8.923 1.00 0.00 N ATOM 1733 CA VAL A 106 2.313 11.481 10.081 1.00 0.00 C ATOM 1734 C VAL A 106 3.566 12.304 10.359 1.00 0.00 C ATOM 1735 O VAL A 106 4.630 12.040 9.801 1.00 0.00 O ATOM 1736 CB VAL A 106 1.952 10.673 11.342 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.641 9.928 11.142 1.00 0.00 C ATOM 1738 CG2 VAL A 106 3.073 9.709 11.706 1.00 0.00 C ATOM 0 H VAL A 106 2.987 9.740 9.124 1.00 0.00 H new ATOM 0 HA VAL A 106 1.486 12.150 9.842 1.00 0.00 H new ATOM 0 HB VAL A 106 1.825 11.370 12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.402 9.363 12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.157 10.643 10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.736 9.243 10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.796 9.149 12.599 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.239 9.016 10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.987 10.270 11.899 1.00 0.00 H new ATOM 1748 N ALA A 107 3.432 13.303 11.227 1.00 0.00 N ATOM 1749 CA ALA A 107 4.555 14.163 11.579 1.00 0.00 C ATOM 1750 C ALA A 107 4.228 15.017 12.800 1.00 0.00 C ATOM 1751 O ALA A 107 3.126 15.550 12.920 1.00 0.00 O ATOM 1752 CB ALA A 107 4.931 15.047 10.400 1.00 0.00 C ATOM 0 H ALA A 107 2.558 13.536 11.698 1.00 0.00 H new ATOM 0 HA ALA A 107 5.405 13.528 11.828 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.771 15.684 10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.213 14.422 9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.079 15.669 10.125 1.00 0.00 H new ATOM 1758 N GLY A 108 5.196 15.144 13.703 1.00 0.00 N ATOM 1759 CA GLY A 108 4.992 15.935 14.901 1.00 0.00 C ATOM 1760 C GLY A 108 4.504 15.110 16.079 1.00 0.00 C ATOM 1761 O GLY A 108 4.204 15.655 17.141 1.00 0.00 O ATOM 0 H GLY A 108 6.117 14.713 13.625 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.928 16.425 15.170 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.268 16.723 14.691 1.00 0.00 H new ATOM 1765 N VAL A 109 4.423 13.794 15.895 1.00 0.00 N ATOM 1766 CA VAL A 109 3.968 12.904 16.957 1.00 0.00 C ATOM 1767 C VAL A 109 5.049 11.894 17.328 1.00 0.00 C ATOM 1768 O VAL A 109 6.032 11.729 16.606 1.00 0.00 O ATOM 1769 CB VAL A 109 2.689 12.147 16.550 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.556 13.123 16.273 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.947 11.262 15.338 1.00 0.00 C ATOM 0 H VAL A 109 4.666 13.323 15.023 1.00 0.00 H new ATOM 0 HA VAL A 109 3.748 13.531 17.821 1.00 0.00 H new ATOM 0 HB VAL A 109 2.393 11.505 17.380 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.661 12.570 15.987 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.351 13.706 17.171 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.843 13.793 15.463 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.030 10.737 15.069 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.272 11.879 14.500 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.724 10.536 15.577 1.00 0.00 H new ATOM 1781 N THR A 110 4.861 11.223 18.460 1.00 0.00 N ATOM 1782 CA THR A 110 5.821 10.231 18.927 1.00 0.00 C ATOM 1783 C THR A 110 5.725 8.949 18.104 1.00 0.00 C ATOM 1784 O THR A 110 4.788 8.767 17.328 1.00 0.00 O ATOM 1785 CB THR A 110 5.584 9.919 20.405 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.334 9.278 20.589 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.604 11.149 21.287 1.00 0.00 C ATOM 0 H THR A 110 4.053 11.349 19.070 1.00 0.00 H new ATOM 0 HA THR A 110 6.822 10.646 18.805 1.00 0.00 H new ATOM 0 HB THR A 110 6.408 9.268 20.698 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.054 9.369 21.524 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.430 10.857 22.323 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.575 11.639 21.207 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.822 11.838 20.968 1.00 0.00 H new ATOM 1795 N GLU A 111 6.702 8.067 18.281 1.00 0.00 N ATOM 1796 CA GLU A 111 6.731 6.801 17.557 1.00 0.00 C ATOM 1797 C GLU A 111 5.571 5.906 17.980 1.00 0.00 C ATOM 1798 O GLU A 111 4.970 5.219 17.154 1.00 0.00 O ATOM 1799 CB GLU A 111 8.061 6.084 17.799 1.00 0.00 C ATOM 1800 CG GLU A 111 8.161 4.732 17.110 1.00 0.00 C ATOM 1801 CD GLU A 111 9.582 4.206 17.065 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.245 4.195 18.123 1.00 0.00 O ATOM 1803 OE2 GLU A 111 10.032 3.804 15.972 1.00 0.00 O ATOM 0 H GLU A 111 7.485 8.205 18.920 1.00 0.00 H new ATOM 0 HA GLU A 111 6.630 7.015 16.493 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.875 6.720 17.451 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.200 5.946 18.871 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.528 4.014 17.632 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.776 4.817 16.094 1.00 0.00 H new ATOM 1810 N GLU A 112 5.262 5.918 19.272 1.00 0.00 N ATOM 1811 CA GLU A 112 4.173 5.106 19.806 1.00 0.00 C ATOM 1812 C GLU A 112 2.833 5.537 19.218 1.00 0.00 C ATOM 1813 O GLU A 112 2.016 4.702 18.833 1.00 0.00 O ATOM 1814 CB GLU A 112 4.135 5.208 21.333 1.00 0.00 C ATOM 1815 CG GLU A 112 4.461 3.901 22.037 1.00 0.00 C ATOM 1816 CD GLU A 112 3.332 2.893 21.946 1.00 0.00 C ATOM 1817 OE1 GLU A 112 2.438 2.920 22.819 1.00 0.00 O ATOM 1818 OE2 GLU A 112 3.340 2.076 21.002 1.00 0.00 O ATOM 0 H GLU A 112 5.750 6.481 19.969 1.00 0.00 H new ATOM 0 HA GLU A 112 4.353 4.069 19.524 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.843 5.972 21.656 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.144 5.541 21.642 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.362 3.472 21.600 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.680 4.102 23.086 1.00 0.00 H new ATOM 1825 N GLN A 113 2.613 6.846 19.154 1.00 0.00 N ATOM 1826 CA GLN A 113 1.372 7.386 18.612 1.00 0.00 C ATOM 1827 C GLN A 113 1.352 7.280 17.092 1.00 0.00 C ATOM 1828 O GLN A 113 0.316 6.996 16.492 1.00 0.00 O ATOM 1829 CB GLN A 113 1.199 8.847 19.036 1.00 0.00 C ATOM 1830 CG GLN A 113 1.481 9.091 20.511 1.00 0.00 C ATOM 1831 CD GLN A 113 0.226 9.413 21.300 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -0.890 9.283 20.796 1.00 0.00 O ATOM 1833 NE2 GLN A 113 0.404 9.835 22.546 1.00 0.00 N ATOM 0 H GLN A 113 3.278 7.552 19.471 1.00 0.00 H new ATOM 0 HA GLN A 113 0.544 6.799 19.010 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.865 9.471 18.439 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.180 9.163 18.812 1.00 0.00 H new ATOM 0 HG2 GLN A 113 1.957 8.208 20.937 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.189 9.914 20.610 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.347 9.928 22.923 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -0.402 10.066 23.126 1.00 0.00 H new ATOM 1842 N ALA A 114 2.505 7.514 16.477 1.00 0.00 N ATOM 1843 CA ALA A 114 2.627 7.449 15.027 1.00 0.00 C ATOM 1844 C ALA A 114 2.504 6.015 14.522 1.00 0.00 C ATOM 1845 O ALA A 114 1.763 5.740 13.578 1.00 0.00 O ATOM 1846 CB ALA A 114 3.953 8.050 14.590 1.00 0.00 C ATOM 0 H ALA A 114 3.371 7.751 16.962 1.00 0.00 H new ATOM 0 HA ALA A 114 1.811 8.026 14.592 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.036 7.997 13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.003 9.091 14.908 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.772 7.493 15.044 1.00 0.00 H new ATOM 1852 N MET A 115 3.237 5.105 15.154 1.00 0.00 N ATOM 1853 CA MET A 115 3.210 3.700 14.767 1.00 0.00 C ATOM 1854 C MET A 115 1.823 3.101 14.973 1.00 0.00 C ATOM 1855 O MET A 115 1.308 2.393 14.108 1.00 0.00 O ATOM 1856 CB MET A 115 4.245 2.910 15.571 1.00 0.00 C ATOM 1857 CG MET A 115 5.682 3.281 15.242 1.00 0.00 C ATOM 1858 SD MET A 115 6.564 1.964 14.379 1.00 0.00 S ATOM 1859 CE MET A 115 7.769 2.913 13.454 1.00 0.00 C ATOM 0 H MET A 115 3.857 5.315 15.936 1.00 0.00 H new ATOM 0 HA MET A 115 3.456 3.637 13.707 1.00 0.00 H new ATOM 0 HB2 MET A 115 4.070 3.075 16.634 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.102 1.845 15.386 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.688 4.180 14.626 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.210 3.522 16.164 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.470 2.235 12.967 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.259 3.512 12.699 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.313 3.570 14.132 1.00 0.00 H new ATOM 1869 N GLU A 116 1.224 3.390 16.124 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.104 2.878 16.440 1.00 0.00 C ATOM 1871 C GLU A 116 -1.157 3.499 15.529 1.00 0.00 C ATOM 1872 O GLU A 116 -1.984 2.795 14.951 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.449 3.162 17.901 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.424 2.161 18.500 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.069 1.782 19.925 1.00 0.00 C ATOM 1876 OE1 GLU A 116 0.085 1.362 20.157 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -1.943 1.905 20.808 1.00 0.00 O ATOM 0 H GLU A 116 1.636 3.974 16.851 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.098 1.800 16.278 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.468 3.160 18.490 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.875 4.162 17.978 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.429 2.582 18.480 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.442 1.263 17.883 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.120 4.822 15.405 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.073 5.536 14.562 1.00 0.00 C ATOM 1886 C ALA A 117 -2.025 5.020 13.129 1.00 0.00 C ATOM 1887 O ALA A 117 -3.058 4.712 12.534 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.792 7.031 14.595 1.00 0.00 C ATOM 0 H ALA A 117 -0.442 5.421 15.876 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.074 5.358 14.955 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.511 7.550 13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.881 7.395 15.618 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.783 7.220 14.229 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.819 4.915 12.584 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.637 4.425 11.224 1.00 0.00 C ATOM 1896 C LEU A 118 -1.176 3.004 11.095 1.00 0.00 C ATOM 1897 O LEU A 118 -1.633 2.597 10.026 1.00 0.00 O ATOM 1898 CB LEU A 118 0.846 4.470 10.838 1.00 0.00 C ATOM 1899 CG LEU A 118 1.294 5.697 10.027 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.397 6.899 10.289 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.739 6.038 10.350 1.00 0.00 C ATOM 0 H LEU A 118 0.047 5.163 13.063 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.194 5.070 10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.440 4.426 11.751 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.079 3.574 10.262 1.00 0.00 H new ATOM 0 HG LEU A 118 1.212 5.447 8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.744 7.747 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.628 6.656 10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.432 7.155 11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.046 6.908 9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.832 6.259 11.413 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.378 5.191 10.099 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.128 2.257 12.194 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.623 0.886 12.210 1.00 0.00 C ATOM 1915 C ARG A 119 -3.148 0.875 12.179 1.00 0.00 C ATOM 1916 O ARG A 119 -3.760 0.062 11.488 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.114 0.151 13.451 1.00 0.00 C ATOM 1918 CG ARG A 119 -0.033 -0.875 13.151 1.00 0.00 C ATOM 1919 CD ARG A 119 0.799 -1.187 14.385 1.00 0.00 C ATOM 1920 NE ARG A 119 2.135 -0.598 14.312 1.00 0.00 N ATOM 1921 CZ ARG A 119 3.196 -1.216 13.792 1.00 0.00 C ATOM 1922 NH1 ARG A 119 3.081 -2.436 13.282 1.00 0.00 N ATOM 1923 NH2 ARG A 119 4.374 -0.609 13.780 1.00 0.00 N ATOM 0 H ARG A 119 -0.751 2.579 13.085 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.251 0.372 11.324 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.724 0.881 14.160 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.952 -0.348 13.936 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.493 -1.791 12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.616 -0.500 12.359 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.286 -0.813 15.271 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.886 -2.268 14.499 1.00 0.00 H new ATOM 0 HE ARG A 119 2.263 0.344 14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.176 -2.907 13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.897 -2.902 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.468 0.330 14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 119 5.187 -1.080 13.383 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.752 1.790 12.932 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.204 1.897 12.992 1.00 0.00 C ATOM 1939 C ILE A 120 -5.787 2.127 11.601 1.00 0.00 C ATOM 1940 O ILE A 120 -6.841 1.589 11.262 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.641 3.047 13.926 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.126 2.802 15.345 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.155 3.196 13.929 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.065 4.056 16.188 1.00 0.00 C ATOM 0 H ILE A 120 -3.256 2.469 13.510 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.583 0.956 13.391 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.209 3.975 13.552 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.771 2.074 15.837 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.131 2.361 15.291 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.439 4.012 14.594 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.501 3.414 12.919 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.611 2.269 14.277 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.691 3.809 17.182 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.397 4.778 15.718 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.063 4.486 16.273 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.091 2.926 10.799 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.536 3.225 9.443 1.00 0.00 C ATOM 1958 C ALA A 121 -5.533 1.967 8.583 1.00 0.00 C ATOM 1959 O ALA A 121 -6.488 1.700 7.852 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.651 4.295 8.822 1.00 0.00 C ATOM 0 H ALA A 121 -4.216 3.378 11.065 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.558 3.601 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.994 4.509 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.703 5.203 9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.621 3.941 8.789 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.456 1.195 8.677 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.348 -0.028 7.905 1.00 0.00 C ATOM 1968 C GLY A 122 -5.193 -1.151 8.476 1.00 0.00 C ATOM 1969 O GLY A 122 -5.530 -2.103 7.773 1.00 0.00 O ATOM 0 H GLY A 122 -3.655 1.395 9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.654 0.167 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.305 -0.343 7.873 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.539 -1.038 9.756 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.350 -2.052 10.420 1.00 0.00 C ATOM 1975 C HIS A 123 -7.689 -2.229 9.711 1.00 0.00 C ATOM 1976 O HIS A 123 -8.203 -3.342 9.602 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.579 -1.671 11.885 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.229 -2.762 12.849 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -7.042 -3.852 13.081 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -5.144 -2.928 13.643 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -6.473 -4.641 13.976 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -5.321 -4.103 14.332 1.00 0.00 N ATOM 0 H HIS A 123 -5.270 -0.255 10.352 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.811 -2.999 10.378 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.986 -0.787 12.119 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.625 -1.398 12.022 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -4.298 -2.261 13.720 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.881 -5.568 14.352 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.668 -4.496 15.009 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.248 -1.124 9.227 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.526 -1.159 8.525 1.00 0.00 C ATOM 1993 C LYS A 124 -9.329 -1.309 7.017 1.00 0.00 C ATOM 1994 O LYS A 124 -10.296 -1.300 6.256 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.330 0.108 8.820 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.553 1.392 8.579 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.165 2.066 9.886 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.241 3.032 10.354 1.00 0.00 C ATOM 1999 NZ LYS A 124 -11.545 2.347 10.576 1.00 0.00 N ATOM 0 H LYS A 124 -7.836 -0.194 9.308 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.078 -2.027 8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.225 0.113 8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.663 0.084 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.655 1.171 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.156 2.076 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -8.996 1.309 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.225 2.602 9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -9.921 3.511 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.367 3.821 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.208 3.003 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.938 2.043 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -11.401 1.516 11.184 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.077 -1.451 6.589 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.770 -1.606 5.172 1.00 0.00 C ATOM 2015 C LEU A 125 -7.908 -3.065 4.747 1.00 0.00 C ATOM 2016 O LEU A 125 -7.784 -3.974 5.570 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.355 -1.108 4.871 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.197 0.413 4.806 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.781 0.789 4.394 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.211 1.013 3.843 1.00 0.00 C ATOM 0 H LEU A 125 -7.262 -1.462 7.202 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.483 -1.007 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.681 -1.494 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.033 -1.531 3.919 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.383 0.820 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.690 1.874 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.073 0.392 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.565 0.370 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.084 2.095 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -7.057 0.598 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.219 0.776 4.182 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.172 -3.312 3.453 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.332 -4.661 2.920 1.00 0.00 C ATOM 2034 C PRO A 126 -7.007 -5.292 2.494 1.00 0.00 C ATOM 2035 O PRO A 126 -6.987 -6.230 1.698 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.225 -4.426 1.707 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.835 -3.072 1.209 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.343 -2.290 2.403 1.00 0.00 C ATOM 0 HA PRO A 126 -8.738 -5.353 3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.068 -5.189 0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.280 -4.460 1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.056 -3.149 0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.685 -2.572 0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.405 -1.779 2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.060 -1.526 2.703 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.903 -4.775 3.026 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.582 -5.296 2.692 1.00 0.00 C ATOM 2048 C ILE A 127 -3.599 -5.089 3.839 1.00 0.00 C ATOM 2049 O ILE A 127 -3.875 -4.343 4.779 1.00 0.00 O ATOM 2050 CB ILE A 127 -4.021 -4.631 1.421 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.174 -3.111 1.500 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.727 -5.175 0.188 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.223 -2.457 2.479 1.00 0.00 C ATOM 0 H ILE A 127 -5.897 -3.999 3.688 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.701 -6.364 2.512 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.959 -4.865 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.012 -2.686 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.198 -2.872 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.322 -4.697 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.571 -6.252 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.794 -4.966 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.388 -1.380 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.400 -2.854 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.195 -2.666 2.182 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.453 -5.756 3.754 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.427 -5.650 4.783 1.00 0.00 C ATOM 2067 C LYS A 128 -0.683 -4.321 4.685 1.00 0.00 C ATOM 2068 O LYS A 128 -0.375 -3.850 3.590 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.438 -6.809 4.656 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.906 -8.085 5.335 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.206 -8.296 6.666 1.00 0.00 C ATOM 2072 CE LYS A 128 -0.171 -9.765 7.053 1.00 0.00 C ATOM 2073 NZ LYS A 128 1.169 -10.371 6.818 1.00 0.00 N ATOM 0 H LYS A 128 -2.212 -6.377 2.981 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.917 -5.696 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.263 -7.013 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.518 -6.509 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.984 -8.040 5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.714 -8.937 4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.812 -7.910 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.719 -7.727 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.437 -9.869 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -0.921 -10.309 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.150 -11.373 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.413 -10.295 5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 1.881 -9.869 7.385 1.00 0.00 H new ATOM 2087 N THR A 129 -0.396 -3.726 5.838 1.00 0.00 N ATOM 2088 CA THR A 129 0.315 -2.453 5.886 1.00 0.00 C ATOM 2089 C THR A 129 1.257 -2.404 7.084 1.00 0.00 C ATOM 2090 O THR A 129 1.039 -3.086 8.086 1.00 0.00 O ATOM 2091 CB THR A 129 -0.673 -1.289 5.962 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.262 -1.214 7.247 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.795 -1.380 4.949 1.00 0.00 C ATOM 0 H THR A 129 -0.645 -4.105 6.752 1.00 0.00 H new ATOM 0 HA THR A 129 0.902 -2.363 4.972 1.00 0.00 H new ATOM 0 HB THR A 129 -0.082 -0.400 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.870 -1.972 7.373 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.457 -0.521 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.377 -1.387 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.360 -2.298 5.113 1.00 0.00 H new ATOM 2101 N LYS A 130 2.304 -1.592 6.977 1.00 0.00 N ATOM 2102 CA LYS A 130 3.276 -1.457 8.058 1.00 0.00 C ATOM 2103 C LYS A 130 3.709 -0.004 8.223 1.00 0.00 C ATOM 2104 O LYS A 130 3.506 0.820 7.331 1.00 0.00 O ATOM 2105 CB LYS A 130 4.498 -2.338 7.789 1.00 0.00 C ATOM 2106 CG LYS A 130 5.110 -2.124 6.415 1.00 0.00 C ATOM 2107 CD LYS A 130 6.538 -2.641 6.355 1.00 0.00 C ATOM 2108 CE LYS A 130 7.332 -1.960 5.252 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.799 -2.130 5.435 1.00 0.00 N ATOM 0 H LYS A 130 2.501 -1.019 6.156 1.00 0.00 H new ATOM 0 HA LYS A 130 2.799 -1.783 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.253 -2.139 8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.211 -3.385 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.506 -2.632 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.096 -1.062 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.028 -2.472 7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.529 -3.718 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.037 -2.371 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.090 -0.897 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.303 -1.651 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.086 -1.715 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.035 -3.143 5.427 1.00 0.00 H new ATOM 2123 N ILE A 131 4.309 0.303 9.369 1.00 0.00 N ATOM 2124 CA ILE A 131 4.775 1.658 9.650 1.00 0.00 C ATOM 2125 C ILE A 131 6.222 1.832 9.203 1.00 0.00 C ATOM 2126 O ILE A 131 7.082 1.015 9.530 1.00 0.00 O ATOM 2127 CB ILE A 131 4.680 2.007 11.152 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.522 1.260 11.819 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.523 3.509 11.337 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.165 1.616 11.256 1.00 0.00 C ATOM 0 H ILE A 131 4.484 -0.367 10.118 1.00 0.00 H new ATOM 0 HA ILE A 131 4.124 2.331 9.093 1.00 0.00 H new ATOM 0 HB ILE A 131 5.605 1.690 11.633 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.681 0.187 11.708 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.530 1.475 12.888 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.457 3.740 12.400 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.384 4.021 10.907 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.615 3.844 10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.394 1.048 11.777 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.984 2.682 11.391 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.137 1.375 10.193 1.00 0.00 H new ATOM 2142 N VAL A 132 6.488 2.897 8.454 1.00 0.00 N ATOM 2143 CA VAL A 132 7.837 3.160 7.969 1.00 0.00 C ATOM 2144 C VAL A 132 8.220 4.629 8.134 1.00 0.00 C ATOM 2145 O VAL A 132 7.426 5.529 7.859 1.00 0.00 O ATOM 2146 CB VAL A 132 7.992 2.755 6.493 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.723 1.269 6.322 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.064 3.572 5.609 1.00 0.00 C ATOM 0 H VAL A 132 5.792 3.587 8.171 1.00 0.00 H new ATOM 0 HA VAL A 132 8.509 2.553 8.576 1.00 0.00 H new ATOM 0 HB VAL A 132 9.018 2.959 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.836 0.997 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.432 0.699 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.708 1.043 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.191 3.269 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.031 3.404 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.304 4.630 5.710 1.00 0.00 H new ATOM 2158 N ARG A 133 9.448 4.854 8.587 1.00 0.00 N ATOM 2159 CA ARG A 133 9.972 6.199 8.799 1.00 0.00 C ATOM 2160 C ARG A 133 10.756 6.675 7.591 1.00 0.00 C ATOM 2161 O ARG A 133 11.114 5.881 6.725 1.00 0.00 O ATOM 2162 CB ARG A 133 10.892 6.236 10.013 1.00 0.00 C ATOM 2163 CG ARG A 133 10.615 7.396 10.956 1.00 0.00 C ATOM 2164 CD ARG A 133 11.309 7.203 12.295 1.00 0.00 C ATOM 2165 NE ARG A 133 11.543 8.475 12.976 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.020 8.575 14.215 1.00 0.00 C ATOM 2167 NH1 ARG A 133 12.315 7.485 14.911 1.00 0.00 N ATOM 2168 NH2 ARG A 133 12.203 9.772 14.759 1.00 0.00 N ATOM 0 H ARG A 133 10.108 4.111 8.817 1.00 0.00 H new ATOM 0 HA ARG A 133 9.117 6.855 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.791 5.300 10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.926 6.295 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 133 10.954 8.326 10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.540 7.491 11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.701 6.558 12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.260 6.693 12.141 1.00 0.00 H new ATOM 0 HE ARG A 133 11.328 9.336 12.473 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.177 6.563 14.497 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.680 7.569 15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.978 10.613 14.228 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.568 9.850 15.708 1.00 0.00 H new