USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=10 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 -148:sc= 0.175 USER MOD Set 1.2: A 113 GLN : amide:sc= -1.86 K(o=-1.7,f=-9.2!) USER MOD Set 2.1: A 43 THR OG1 : rot -81:sc= -0.35 USER MOD Set 2.2: A 46 GLN : amide:sc= -2.47! C(o=-2.8!,f=-5.1!) USER MOD Set 3.1: A 32 TYR OH : rot 150:sc= -0.647 USER MOD Set 3.2: A 115 MET CE :methyl -165:sc= -2.3 (180deg=-3.07) USER MOD Single : A 45 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.27) USER MOD Single : A 54 MET CE :methyl -128:sc= -9.14! (180deg=-13.6!) USER MOD Single : A 57 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-6.3!) 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 -122:sc= -5.6! (180deg=-11.1!) USER MOD Single : A 123 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.46) USER MOD Single : A 124 LYS NZ :NH3+ -124:sc= -0.559 (180deg=-2.46!) USER MOD Single : A 128 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.134) USER MOD Single : A 129 THR OG1 : rot 90:sc= -0.913 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.107 12.350 9.174 1.00 0.00 N ATOM 508 CA ASP A 31 8.274 11.600 9.624 1.00 0.00 C ATOM 509 C ASP A 31 8.097 10.111 9.355 1.00 0.00 C ATOM 510 O ASP A 31 9.059 9.403 9.057 1.00 0.00 O ATOM 511 CB ASP A 31 8.514 11.838 11.116 1.00 0.00 C ATOM 512 CG ASP A 31 9.280 13.118 11.383 1.00 0.00 C ATOM 513 OD1 ASP A 31 10.138 13.481 10.550 1.00 0.00 O ATOM 514 OD2 ASP A 31 9.025 13.759 12.424 1.00 0.00 O ATOM 0 HA ASP A 31 9.141 11.951 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.555 11.877 11.633 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.066 10.995 11.531 1.00 0.00 H new ATOM 519 N TYR A 32 6.858 9.643 9.461 1.00 0.00 N ATOM 520 CA TYR A 32 6.545 8.240 9.228 1.00 0.00 C ATOM 521 C TYR A 32 5.716 8.073 7.961 1.00 0.00 C ATOM 522 O TYR A 32 5.256 9.053 7.373 1.00 0.00 O ATOM 523 CB TYR A 32 5.776 7.662 10.412 1.00 0.00 C ATOM 524 CG TYR A 32 6.652 7.231 11.565 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.827 6.519 11.353 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.293 7.530 12.871 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.617 6.119 12.412 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.080 7.135 13.935 1.00 0.00 C ATOM 529 CZ TYR A 32 8.240 6.430 13.701 1.00 0.00 C ATOM 530 OH TYR A 32 9.025 6.032 14.760 1.00 0.00 O ATOM 0 H TYR A 32 6.052 10.218 9.708 1.00 0.00 H new ATOM 0 HA TYR A 32 7.486 7.703 9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.065 8.407 10.769 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.195 6.805 10.071 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.126 6.275 10.344 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.383 8.081 13.059 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.526 5.565 12.231 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.787 7.378 14.946 1.00 0.00 H new ATOM 0 HH TYR A 32 8.933 6.674 15.495 1.00 0.00 H new ATOM 540 N GLY A 33 5.525 6.826 7.548 1.00 0.00 N ATOM 541 CA GLY A 33 4.747 6.554 6.358 1.00 0.00 C ATOM 542 C GLY A 33 4.086 5.190 6.394 1.00 0.00 C ATOM 543 O GLY A 33 4.746 4.181 6.639 1.00 0.00 O ATOM 0 H GLY A 33 5.896 5.999 8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.982 7.322 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.394 6.617 5.483 1.00 0.00 H new ATOM 547 N LEU A 34 2.782 5.160 6.143 1.00 0.00 N ATOM 548 CA LEU A 34 2.037 3.908 6.141 1.00 0.00 C ATOM 549 C LEU A 34 2.016 3.313 4.740 1.00 0.00 C ATOM 550 O LEU A 34 1.403 3.868 3.827 1.00 0.00 O ATOM 551 CB LEU A 34 0.607 4.135 6.638 1.00 0.00 C ATOM 552 CG LEU A 34 -0.130 2.882 7.122 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.673 2.096 5.939 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.781 2.007 7.975 1.00 0.00 C ATOM 0 H LEU A 34 2.221 5.987 5.939 1.00 0.00 H new ATOM 0 HA LEU A 34 2.532 3.209 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.635 4.857 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.028 4.587 5.832 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.968 3.199 7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.194 1.209 6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.367 2.720 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.152 1.795 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.233 1.125 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.645 1.698 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.118 2.571 8.844 1.00 0.00 H new ATOM 566 N VAL A 35 2.705 2.192 4.572 1.00 0.00 N ATOM 567 CA VAL A 35 2.783 1.535 3.276 1.00 0.00 C ATOM 568 C VAL A 35 1.837 0.346 3.178 1.00 0.00 C ATOM 569 O VAL A 35 1.627 -0.383 4.146 1.00 0.00 O ATOM 570 CB VAL A 35 4.214 1.039 2.987 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.724 0.184 4.134 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.257 0.258 1.681 1.00 0.00 C ATOM 0 H VAL A 35 3.217 1.720 5.317 1.00 0.00 H new ATOM 0 HA VAL A 35 2.491 2.285 2.540 1.00 0.00 H new ATOM 0 HB VAL A 35 4.864 1.908 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.735 -0.157 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.733 0.773 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.070 -0.679 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.275 -0.084 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.592 -0.603 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.934 0.901 0.862 1.00 0.00 H new ATOM 582 N ALA A 36 1.304 0.140 1.980 1.00 0.00 N ATOM 583 CA ALA A 36 0.417 -0.978 1.718 1.00 0.00 C ATOM 584 C ALA A 36 1.221 -2.121 1.110 1.00 0.00 C ATOM 585 O ALA A 36 1.753 -1.992 0.009 1.00 0.00 O ATOM 586 CB ALA A 36 -0.713 -0.557 0.789 1.00 0.00 C ATOM 0 H ALA A 36 1.474 0.739 1.172 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.031 -1.313 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.368 -1.408 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.285 0.247 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.296 -0.208 -0.156 1.00 0.00 H new ATOM 592 N LEU A 37 1.333 -3.222 1.849 1.00 0.00 N ATOM 593 CA LEU A 37 2.105 -4.377 1.396 1.00 0.00 C ATOM 594 C LEU A 37 1.278 -5.325 0.527 1.00 0.00 C ATOM 595 O LEU A 37 1.639 -6.491 0.362 1.00 0.00 O ATOM 596 CB LEU A 37 2.662 -5.134 2.601 1.00 0.00 C ATOM 597 CG LEU A 37 3.340 -4.258 3.655 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.355 -4.958 5.004 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.752 -3.902 3.219 1.00 0.00 C ATOM 0 H LEU A 37 0.899 -3.339 2.765 1.00 0.00 H new ATOM 0 HA LEU A 37 2.922 -4.000 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.848 -5.683 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.381 -5.873 2.247 1.00 0.00 H new ATOM 0 HG LEU A 37 2.768 -3.336 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.842 -4.318 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.332 -5.161 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.902 -5.897 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.221 -3.278 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.334 -4.815 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.715 -3.357 2.275 1.00 0.00 H new ATOM 611 N GLU A 38 0.179 -4.832 -0.033 1.00 0.00 N ATOM 612 CA GLU A 38 -0.668 -5.656 -0.885 1.00 0.00 C ATOM 613 C GLU A 38 -1.622 -4.793 -1.709 1.00 0.00 C ATOM 614 O GLU A 38 -2.106 -3.765 -1.234 1.00 0.00 O ATOM 615 CB GLU A 38 -1.460 -6.658 -0.042 1.00 0.00 C ATOM 616 CG GLU A 38 -1.625 -8.015 -0.706 1.00 0.00 C ATOM 617 CD GLU A 38 -1.960 -9.113 0.285 1.00 0.00 C ATOM 618 OE1 GLU A 38 -3.041 -9.042 0.904 1.00 0.00 O ATOM 619 OE2 GLU A 38 -1.140 -10.042 0.442 1.00 0.00 O ATOM 0 H GLU A 38 -0.144 -3.872 0.087 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.023 -6.204 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.958 -6.790 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.446 -6.244 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.414 -7.955 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.705 -8.273 -1.231 1.00 0.00 H new ATOM 626 N PRO A 39 -1.907 -5.197 -2.961 1.00 0.00 N ATOM 627 CA PRO A 39 -2.807 -4.449 -3.846 1.00 0.00 C ATOM 628 C PRO A 39 -4.230 -4.387 -3.299 1.00 0.00 C ATOM 629 O PRO A 39 -4.780 -5.399 -2.863 1.00 0.00 O ATOM 630 CB PRO A 39 -2.778 -5.242 -5.160 1.00 0.00 C ATOM 631 CG PRO A 39 -1.568 -6.108 -5.072 1.00 0.00 C ATOM 632 CD PRO A 39 -1.378 -6.406 -3.614 1.00 0.00 C ATOM 0 HA PRO A 39 -2.491 -3.412 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.682 -5.840 -5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.722 -4.575 -6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.703 -7.026 -5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.695 -5.602 -5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.922 -7.300 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.329 -6.572 -3.369 1.00 0.00 H new ATOM 640 N ALA A 40 -4.826 -3.197 -3.325 1.00 0.00 N ATOM 641 CA ALA A 40 -6.187 -3.021 -2.829 1.00 0.00 C ATOM 642 C ALA A 40 -6.788 -1.697 -3.292 1.00 0.00 C ATOM 643 O ALA A 40 -6.098 -0.857 -3.870 1.00 0.00 O ATOM 644 CB ALA A 40 -6.208 -3.107 -1.310 1.00 0.00 C ATOM 0 H ALA A 40 -4.391 -2.346 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.798 -3.824 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.229 -2.974 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.837 -4.083 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.573 -2.326 -0.893 1.00 0.00 H new ATOM 650 N TRP A 41 -8.078 -1.521 -3.027 1.00 0.00 N ATOM 651 CA TRP A 41 -8.785 -0.304 -3.408 1.00 0.00 C ATOM 652 C TRP A 41 -9.205 0.485 -2.171 1.00 0.00 C ATOM 653 O TRP A 41 -10.029 0.023 -1.382 1.00 0.00 O ATOM 654 CB TRP A 41 -10.020 -0.647 -4.245 1.00 0.00 C ATOM 655 CG TRP A 41 -9.691 -1.179 -5.605 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.617 -0.847 -6.376 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.444 -2.139 -6.356 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.652 -1.542 -7.561 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.765 -2.341 -7.573 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.625 -2.848 -6.119 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.228 -3.222 -8.547 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -12.084 -3.721 -7.086 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.387 -3.903 -8.288 1.00 0.00 C ATOM 0 H TRP A 41 -8.658 -2.210 -2.547 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.109 0.310 -4.003 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.618 -1.385 -3.710 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.636 0.246 -4.352 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.850 -0.140 -6.096 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.962 -1.474 -8.309 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.169 -2.716 -5.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.692 -3.363 -9.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.996 -4.273 -6.913 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.771 -4.594 -9.024 1.00 0.00 H new ATOM 674 N ILE A 42 -8.637 1.675 -2.006 1.00 0.00 N ATOM 675 CA ILE A 42 -8.961 2.519 -0.861 1.00 0.00 C ATOM 676 C ILE A 42 -10.163 3.409 -1.157 1.00 0.00 C ATOM 677 O ILE A 42 -10.121 4.245 -2.060 1.00 0.00 O ATOM 678 CB ILE A 42 -7.771 3.409 -0.451 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.477 2.592 -0.425 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.031 4.047 0.908 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.469 1.503 0.628 1.00 0.00 C ATOM 0 H ILE A 42 -7.953 2.076 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.199 1.846 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.660 4.204 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.323 2.140 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.637 3.263 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.182 4.673 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.931 4.659 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.165 3.266 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.522 0.965 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.591 1.950 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.288 0.809 0.440 1.00 0.00 H new ATOM 693 N THR A 43 -11.233 3.224 -0.391 1.00 0.00 N ATOM 694 CA THR A 43 -12.446 4.010 -0.570 1.00 0.00 C ATOM 695 C THR A 43 -12.300 5.389 0.057 1.00 0.00 C ATOM 696 O THR A 43 -11.332 5.662 0.767 1.00 0.00 O ATOM 697 CB THR A 43 -13.643 3.289 0.049 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.245 2.525 1.176 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.342 2.360 -0.917 1.00 0.00 C ATOM 0 H THR A 43 -11.284 2.536 0.360 1.00 0.00 H new ATOM 0 HA THR A 43 -12.612 4.130 -1.641 1.00 0.00 H new ATOM 0 HB THR A 43 -14.338 4.077 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.862 1.674 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.182 1.879 -0.416 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.707 2.931 -1.771 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.642 1.599 -1.262 1.00 0.00 H new ATOM 707 N ALA A 44 -13.273 6.255 -0.204 1.00 0.00 N ATOM 708 CA ALA A 44 -13.258 7.604 0.340 1.00 0.00 C ATOM 709 C ALA A 44 -13.231 7.571 1.864 1.00 0.00 C ATOM 710 O ALA A 44 -12.487 8.321 2.497 1.00 0.00 O ATOM 711 CB ALA A 44 -14.466 8.387 -0.152 1.00 0.00 C ATOM 0 H ALA A 44 -14.081 6.045 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.354 8.103 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.441 9.394 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.445 8.443 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.379 7.886 0.168 1.00 0.00 H new ATOM 717 N GLN A 45 -14.049 6.699 2.446 1.00 0.00 N ATOM 718 CA GLN A 45 -14.134 6.559 3.868 1.00 0.00 C ATOM 719 C GLN A 45 -12.814 6.105 4.477 1.00 0.00 C ATOM 720 O GLN A 45 -12.413 6.586 5.526 1.00 0.00 O ATOM 721 CB GLN A 45 -15.223 5.550 4.163 1.00 0.00 C ATOM 722 CG GLN A 45 -16.400 6.147 4.890 1.00 0.00 C ATOM 723 CD GLN A 45 -16.529 5.648 6.316 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.453 4.447 6.576 1.00 0.00 O ATOM 725 NE2 GLN A 45 -16.729 6.571 7.250 1.00 0.00 N ATOM 0 H GLN A 45 -14.668 6.074 1.929 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.365 7.527 4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.567 5.111 3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.807 4.740 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.303 7.233 4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.314 5.913 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.785 7.556 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.826 6.295 8.227 1.00 0.00 H new ATOM 734 N GLN A 46 -12.140 5.172 3.821 1.00 0.00 N ATOM 735 CA GLN A 46 -10.875 4.664 4.335 1.00 0.00 C ATOM 736 C GLN A 46 -9.858 5.790 4.493 1.00 0.00 C ATOM 737 O GLN A 46 -9.044 5.776 5.417 1.00 0.00 O ATOM 738 CB GLN A 46 -10.328 3.570 3.416 1.00 0.00 C ATOM 739 CG GLN A 46 -10.700 2.167 3.870 1.00 0.00 C ATOM 740 CD GLN A 46 -10.977 1.228 2.710 1.00 0.00 C ATOM 741 OE1 GLN A 46 -12.107 0.782 2.514 1.00 0.00 O ATOM 742 NE2 GLN A 46 -9.943 0.921 1.939 1.00 0.00 N ATOM 0 H GLN A 46 -12.443 4.754 2.941 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.056 4.233 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.705 3.730 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.242 3.654 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.891 1.760 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.582 2.218 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.023 1.314 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.067 0.292 1.146 1.00 0.00 H new ATOM 751 N ILE A 47 -9.911 6.764 3.595 1.00 0.00 N ATOM 752 CA ILE A 47 -8.993 7.895 3.646 1.00 0.00 C ATOM 753 C ILE A 47 -9.337 8.845 4.793 1.00 0.00 C ATOM 754 O ILE A 47 -8.464 9.238 5.567 1.00 0.00 O ATOM 755 CB ILE A 47 -8.997 8.684 2.322 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.789 7.739 1.138 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.921 9.760 2.342 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.403 8.241 -0.149 1.00 0.00 C ATOM 0 H ILE A 47 -10.578 6.795 2.824 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.999 7.481 3.813 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.967 9.169 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.720 7.588 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.217 6.766 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.937 10.308 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.110 10.448 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.944 9.295 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.217 7.521 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.478 8.365 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.958 9.200 -0.415 1.00 0.00 H new ATOM 770 N GLU A 48 -10.610 9.219 4.892 1.00 0.00 N ATOM 771 CA GLU A 48 -11.060 10.132 5.941 1.00 0.00 C ATOM 772 C GLU A 48 -11.331 9.394 7.250 1.00 0.00 C ATOM 773 O GLU A 48 -10.902 9.830 8.319 1.00 0.00 O ATOM 774 CB GLU A 48 -12.324 10.869 5.491 1.00 0.00 C ATOM 775 CG GLU A 48 -12.543 12.192 6.206 1.00 0.00 C ATOM 776 CD GLU A 48 -11.375 13.143 6.046 1.00 0.00 C ATOM 777 OE1 GLU A 48 -10.770 13.161 4.952 1.00 0.00 O ATOM 778 OE2 GLU A 48 -11.064 13.871 7.012 1.00 0.00 O ATOM 0 H GLU A 48 -11.347 8.905 4.261 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.261 10.852 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.266 11.051 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.189 10.227 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.446 12.664 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.710 12.004 7.266 1.00 0.00 H new ATOM 785 N ALA A 49 -12.046 8.279 7.159 1.00 0.00 N ATOM 786 CA ALA A 49 -12.380 7.478 8.336 1.00 0.00 C ATOM 787 C ALA A 49 -11.128 7.112 9.126 1.00 0.00 C ATOM 788 O ALA A 49 -11.091 7.249 10.349 1.00 0.00 O ATOM 789 CB ALA A 49 -13.137 6.219 7.927 1.00 0.00 C ATOM 0 H ALA A 49 -12.408 7.906 6.281 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.022 8.079 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.378 5.635 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.058 6.498 7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.517 5.623 7.257 1.00 0.00 H new ATOM 795 N ALA A 50 -10.105 6.648 8.419 1.00 0.00 N ATOM 796 CA ALA A 50 -8.850 6.264 9.053 1.00 0.00 C ATOM 797 C ALA A 50 -8.175 7.467 9.703 1.00 0.00 C ATOM 798 O ALA A 50 -7.679 7.380 10.826 1.00 0.00 O ATOM 799 CB ALA A 50 -7.919 5.619 8.037 1.00 0.00 C ATOM 0 H ALA A 50 -10.120 6.528 7.406 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.074 5.538 9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.986 5.338 8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.394 4.730 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.709 6.327 7.235 1.00 0.00 H new ATOM 805 N ARG A 51 -8.160 8.590 8.991 1.00 0.00 N ATOM 806 CA ARG A 51 -7.547 9.809 9.503 1.00 0.00 C ATOM 807 C ARG A 51 -8.226 10.256 10.792 1.00 0.00 C ATOM 808 O ARG A 51 -7.564 10.662 11.747 1.00 0.00 O ATOM 809 CB ARG A 51 -7.619 10.924 8.459 1.00 0.00 C ATOM 810 CG ARG A 51 -6.380 11.803 8.424 1.00 0.00 C ATOM 811 CD ARG A 51 -6.695 13.193 7.900 1.00 0.00 C ATOM 812 NE ARG A 51 -7.337 14.027 8.913 1.00 0.00 N ATOM 813 CZ ARG A 51 -7.430 15.353 8.832 1.00 0.00 C ATOM 814 NH1 ARG A 51 -6.925 15.998 7.787 1.00 0.00 N ATOM 815 NH2 ARG A 51 -8.027 16.036 9.798 1.00 0.00 N ATOM 0 H ARG A 51 -8.565 8.680 8.059 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.500 9.596 9.719 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.768 10.480 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.490 11.546 8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.958 11.878 9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.622 11.339 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.774 13.672 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.347 13.113 7.030 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.738 13.567 9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.463 15.478 7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.999 17.014 7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.415 15.546 10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.098 17.052 9.736 1.00 0.00 H new ATOM 829 N VAL A 52 -9.554 10.174 10.816 1.00 0.00 N ATOM 830 CA VAL A 52 -10.322 10.566 11.991 1.00 0.00 C ATOM 831 C VAL A 52 -9.889 9.765 13.214 1.00 0.00 C ATOM 832 O VAL A 52 -9.870 10.279 14.333 1.00 0.00 O ATOM 833 CB VAL A 52 -11.834 10.366 11.766 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.626 10.864 12.965 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.281 11.068 10.492 1.00 0.00 C ATOM 0 H VAL A 52 -10.119 9.840 10.035 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.127 11.625 12.163 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.027 9.299 11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.691 10.714 12.786 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.326 10.310 13.855 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.430 11.926 13.115 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.351 10.916 10.349 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.073 12.135 10.573 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.739 10.656 9.640 1.00 0.00 H new ATOM 845 N ALA A 53 -9.535 8.504 12.989 1.00 0.00 N ATOM 846 CA ALA A 53 -9.093 7.630 14.068 1.00 0.00 C ATOM 847 C ALA A 53 -7.652 7.937 14.458 1.00 0.00 C ATOM 848 O ALA A 53 -7.285 7.860 15.630 1.00 0.00 O ATOM 849 CB ALA A 53 -9.234 6.173 13.653 1.00 0.00 C ATOM 0 H ALA A 53 -9.546 8.065 12.068 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.724 7.810 14.938 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.901 5.529 14.467 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.278 5.959 13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.624 5.986 12.769 1.00 0.00 H new ATOM 855 N MET A 54 -6.842 8.284 13.464 1.00 0.00 N ATOM 856 CA MET A 54 -5.438 8.604 13.693 1.00 0.00 C ATOM 857 C MET A 54 -5.291 9.940 14.416 1.00 0.00 C ATOM 858 O MET A 54 -4.600 10.035 15.429 1.00 0.00 O ATOM 859 CB MET A 54 -4.682 8.638 12.366 1.00 0.00 C ATOM 860 CG MET A 54 -4.556 7.275 11.708 1.00 0.00 C ATOM 861 SD MET A 54 -3.340 7.255 10.379 1.00 0.00 S ATOM 862 CE MET A 54 -4.334 7.841 9.010 1.00 0.00 C ATOM 0 H MET A 54 -7.135 8.351 12.489 1.00 0.00 H new ATOM 0 HA MET A 54 -5.012 7.826 14.326 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.192 9.317 11.683 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.685 9.045 12.535 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.278 6.537 12.460 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.526 6.976 11.312 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.241 7.151 8.171 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.378 7.900 9.317 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.989 8.829 8.707 1.00 0.00 H new ATOM 872 N VAL A 55 -5.943 10.971 13.885 1.00 0.00 N ATOM 873 CA VAL A 55 -5.881 12.301 14.481 1.00 0.00 C ATOM 874 C VAL A 55 -6.343 12.275 15.935 1.00 0.00 C ATOM 875 O VAL A 55 -5.788 12.969 16.786 1.00 0.00 O ATOM 876 CB VAL A 55 -6.743 13.311 13.698 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.586 14.711 14.273 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.383 13.291 12.219 1.00 0.00 C ATOM 0 H VAL A 55 -6.519 10.911 13.045 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.838 12.616 14.439 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.788 13.018 13.798 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.203 15.408 13.706 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.901 14.713 15.316 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.541 15.016 14.209 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.003 14.011 11.684 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.332 13.555 12.097 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.556 12.293 11.816 1.00 0.00 H new ATOM 888 N ARG A 56 -7.361 11.467 16.212 1.00 0.00 N ATOM 889 CA ARG A 56 -7.899 11.349 17.560 1.00 0.00 C ATOM 890 C ARG A 56 -6.973 10.524 18.450 1.00 0.00 C ATOM 891 O ARG A 56 -6.922 10.726 19.663 1.00 0.00 O ATOM 892 CB ARG A 56 -9.288 10.711 17.518 1.00 0.00 C ATOM 893 CG ARG A 56 -10.404 11.700 17.226 1.00 0.00 C ATOM 894 CD ARG A 56 -11.709 10.992 16.898 1.00 0.00 C ATOM 895 NE ARG A 56 -12.740 11.253 17.899 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.825 10.499 18.061 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.026 9.439 17.289 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.712 10.807 18.997 1.00 0.00 N ATOM 0 H ARG A 56 -7.830 10.884 15.519 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.976 12.351 17.983 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.297 9.931 16.757 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.485 10.226 18.474 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.549 12.350 18.089 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.116 12.338 16.391 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.063 11.318 15.920 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.532 9.919 16.831 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.622 12.061 18.510 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.347 9.198 16.567 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.859 8.865 17.418 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.563 11.621 19.593 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.544 10.230 19.121 1.00 0.00 H new ATOM 912 N HIS A 57 -6.246 9.593 17.841 1.00 0.00 N ATOM 913 CA HIS A 57 -5.326 8.737 18.581 1.00 0.00 C ATOM 914 C HIS A 57 -4.192 9.550 19.196 1.00 0.00 C ATOM 915 O HIS A 57 -3.849 9.369 20.364 1.00 0.00 O ATOM 916 CB HIS A 57 -4.754 7.653 17.666 1.00 0.00 C ATOM 917 CG HIS A 57 -4.190 6.481 18.407 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.917 5.751 19.324 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.962 5.913 18.367 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.160 4.786 19.816 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.969 4.863 19.251 1.00 0.00 N ATOM 0 H HIS A 57 -6.276 9.412 16.838 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.885 8.264 19.388 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.539 7.305 16.995 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.973 8.089 17.044 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.888 5.928 19.582 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.131 6.228 17.753 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.464 4.059 20.554 1.00 0.00 H new ATOM 930 N PHE A 58 -3.609 10.444 18.402 1.00 0.00 N ATOM 931 CA PHE A 58 -2.511 11.284 18.872 1.00 0.00 C ATOM 932 C PHE A 58 -2.898 12.030 20.145 1.00 0.00 C ATOM 933 O PHE A 58 -3.685 12.976 20.107 1.00 0.00 O ATOM 934 CB PHE A 58 -2.103 12.283 17.788 1.00 0.00 C ATOM 935 CG PHE A 58 -1.873 11.656 16.442 1.00 0.00 C ATOM 936 CD1 PHE A 58 -1.004 10.585 16.299 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.525 12.139 15.320 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.792 10.009 15.061 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.316 11.567 14.079 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.449 10.500 13.950 1.00 0.00 C ATOM 0 H PHE A 58 -3.878 10.605 17.431 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.665 10.635 19.097 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.879 13.043 17.697 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.192 12.793 18.101 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.487 10.197 17.164 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.205 12.973 15.416 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.113 9.175 14.962 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.830 11.954 13.212 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.285 10.050 12.982 1.00 0.00 H new ATOM 950 N ARG A 59 -2.339 11.599 21.271 1.00 0.00 N ATOM 951 CA ARG A 59 -2.626 12.226 22.556 1.00 0.00 C ATOM 952 C ARG A 59 -2.040 13.634 22.617 1.00 0.00 C ATOM 953 O ARG A 59 -2.595 14.520 23.266 1.00 0.00 O ATOM 954 CB ARG A 59 -2.065 11.379 23.698 1.00 0.00 C ATOM 955 CG ARG A 59 -2.679 9.992 23.783 1.00 0.00 C ATOM 956 CD ARG A 59 -2.165 9.223 24.990 1.00 0.00 C ATOM 957 NE ARG A 59 -2.242 10.012 26.218 1.00 0.00 N ATOM 958 CZ ARG A 59 -1.274 10.823 26.646 1.00 0.00 C ATOM 959 NH1 ARG A 59 -0.156 10.965 25.945 1.00 0.00 N ATOM 960 NH2 ARG A 59 -1.428 11.495 27.778 1.00 0.00 N ATOM 0 H ARG A 59 -1.685 10.818 21.320 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.708 12.296 22.663 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.987 11.283 23.573 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.231 11.899 24.641 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.764 10.077 23.841 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.451 9.437 22.873 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.745 8.308 25.110 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.131 8.924 24.816 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.088 9.938 26.782 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.033 10.452 25.072 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.580 11.587 26.279 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.286 11.391 28.320 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.689 12.116 28.107 1.00 0.00 H new ATOM 974 N ARG A 60 -0.917 13.831 21.936 1.00 0.00 N ATOM 975 CA ARG A 60 -0.256 15.130 21.911 1.00 0.00 C ATOM 976 C ARG A 60 -0.490 15.835 20.579 1.00 0.00 C ATOM 977 O ARG A 60 0.364 16.580 20.100 1.00 0.00 O ATOM 978 CB ARG A 60 1.245 14.967 22.159 1.00 0.00 C ATOM 979 CG ARG A 60 1.573 14.273 23.472 1.00 0.00 C ATOM 980 CD ARG A 60 1.650 15.264 24.623 1.00 0.00 C ATOM 981 NE ARG A 60 0.485 15.177 25.500 1.00 0.00 N ATOM 982 CZ ARG A 60 0.446 15.677 26.733 1.00 0.00 C ATOM 983 NH1 ARG A 60 1.504 16.298 27.239 1.00 0.00 N ATOM 984 NH2 ARG A 60 -0.655 15.556 27.463 1.00 0.00 N ATOM 0 H ARG A 60 -0.445 13.107 21.394 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.684 15.742 22.705 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.681 14.398 21.338 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.715 15.950 22.150 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.813 13.522 23.687 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.523 13.747 23.379 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.554 15.077 25.202 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.730 16.276 24.225 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.348 14.705 25.147 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.353 16.394 26.682 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.468 16.679 28.184 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.471 15.080 27.079 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.685 15.939 28.408 1.00 0.00 H new ATOM 998 N GLY A 61 -1.654 15.592 19.986 1.00 0.00 N ATOM 999 CA GLY A 61 -1.981 16.211 18.715 1.00 0.00 C ATOM 1000 C GLY A 61 -1.071 15.749 17.594 1.00 0.00 C ATOM 1001 O GLY A 61 -0.020 15.158 17.843 1.00 0.00 O ATOM 0 H GLY A 61 -2.376 14.978 20.362 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.015 15.981 18.458 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.910 17.294 18.813 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.474 16.019 16.357 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.676 15.620 15.213 1.00 0.00 C ATOM 1007 C GLY A 62 -1.421 15.779 13.902 1.00 0.00 C ATOM 1008 O GLY A 62 -2.643 15.927 13.889 1.00 0.00 O ATOM 0 H GLY A 62 -2.339 16.507 16.126 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.236 16.217 15.184 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.372 14.580 15.331 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.683 15.748 12.797 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.283 15.890 11.475 1.00 0.00 C ATOM 1014 C LYS A 63 -0.849 14.754 10.554 1.00 0.00 C ATOM 1015 O LYS A 63 0.221 14.169 10.734 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.899 17.237 10.859 1.00 0.00 C ATOM 1017 CG LYS A 63 0.601 17.459 10.765 1.00 0.00 C ATOM 1018 CD LYS A 63 0.926 18.764 10.056 1.00 0.00 C ATOM 1019 CE LYS A 63 2.413 19.073 10.111 1.00 0.00 C ATOM 1020 NZ LYS A 63 2.751 20.311 9.356 1.00 0.00 N ATOM 0 H LYS A 63 0.330 15.626 12.790 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.366 15.846 11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.331 17.307 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.339 18.037 11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.032 17.470 11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.060 16.628 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.604 18.704 9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.367 19.578 10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.722 19.186 11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.974 18.233 9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.774 20.487 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.479 20.195 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.236 21.117 9.763 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.686 14.447 9.568 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.390 13.380 8.618 1.00 0.00 C ATOM 1036 C ILE A 64 -1.411 13.898 7.185 1.00 0.00 C ATOM 1037 O ILE A 64 -2.178 14.801 6.850 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.395 12.215 8.736 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.829 12.014 10.189 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.786 10.936 8.181 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.872 10.931 10.361 1.00 0.00 C ATOM 0 H ILE A 64 -2.574 14.922 9.406 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.392 13.016 8.863 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.279 12.465 8.150 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.955 11.765 10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.224 12.953 10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.505 10.122 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.530 11.081 7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.886 10.688 8.743 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.134 10.842 11.415 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.762 11.188 9.787 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.473 9.981 10.005 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.568 13.314 6.341 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.493 13.707 4.939 1.00 0.00 C ATOM 1055 C PHE A 65 -0.959 12.569 4.039 1.00 0.00 C ATOM 1056 O PHE A 65 -0.281 11.549 3.909 1.00 0.00 O ATOM 1057 CB PHE A 65 0.936 14.112 4.577 1.00 0.00 C ATOM 1058 CG PHE A 65 1.476 15.228 5.425 1.00 0.00 C ATOM 1059 CD1 PHE A 65 2.019 14.967 6.672 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.438 16.539 4.976 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.516 15.991 7.457 1.00 0.00 C ATOM 1062 CE2 PHE A 65 1.932 17.567 5.755 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.473 17.293 6.997 1.00 0.00 C ATOM 0 H PHE A 65 0.074 12.566 6.604 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.151 14.563 4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.587 13.244 4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.965 14.415 3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.055 13.951 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.017 16.759 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.937 15.774 8.428 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.896 18.584 5.394 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.861 18.095 7.607 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.124 12.746 3.426 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.687 11.729 2.545 1.00 0.00 C ATOM 1075 C ILE A 66 -2.392 12.040 1.082 1.00 0.00 C ATOM 1076 O ILE A 66 -2.540 13.178 0.637 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.213 11.596 2.732 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.602 11.807 4.199 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.689 10.237 2.242 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.839 10.925 5.165 1.00 0.00 C ATOM 0 H ILE A 66 -2.697 13.584 3.523 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.213 10.786 2.816 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.700 12.369 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.434 12.851 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.669 11.617 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.767 10.158 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.450 10.127 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.192 9.451 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.168 11.131 6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.027 9.878 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.772 11.131 5.080 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.979 11.019 0.338 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.666 11.181 -1.077 1.00 0.00 C ATOM 1094 C ARG A 67 -2.676 10.435 -1.945 1.00 0.00 C ATOM 1095 O ARG A 67 -2.966 10.846 -3.069 1.00 0.00 O ATOM 1096 CB ARG A 67 -0.253 10.673 -1.369 1.00 0.00 C ATOM 1097 CG ARG A 67 0.842 11.528 -0.748 1.00 0.00 C ATOM 1098 CD ARG A 67 1.651 12.259 -1.808 1.00 0.00 C ATOM 1099 NE ARG A 67 2.996 12.585 -1.341 1.00 0.00 N ATOM 1100 CZ ARG A 67 3.996 12.937 -2.147 1.00 0.00 C ATOM 1101 NH1 ARG A 67 3.807 13.008 -3.459 1.00 0.00 N ATOM 1102 NH2 ARG A 67 5.188 13.217 -1.639 1.00 0.00 N ATOM 0 H ARG A 67 -1.853 10.071 0.692 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.720 12.243 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.159 9.652 -0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.105 10.636 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.396 12.252 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.504 10.897 -0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.718 11.641 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.133 13.175 -2.091 1.00 0.00 H new ATOM 0 HE ARG A 67 3.180 12.540 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.892 12.792 -3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.577 13.278 -4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.339 13.163 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.955 13.487 -2.255 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.207 9.336 -1.417 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.183 8.533 -2.144 1.00 0.00 C ATOM 1118 C ILE A 68 -5.481 9.304 -2.358 1.00 0.00 C ATOM 1119 O ILE A 68 -5.902 10.080 -1.499 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.495 7.221 -1.400 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.038 7.517 -0.001 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.251 6.349 -1.318 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.471 6.278 0.752 1.00 0.00 C ATOM 0 H ILE A 68 -2.977 8.982 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.741 8.298 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.259 6.679 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.271 8.034 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.886 8.197 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.488 5.426 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.905 6.113 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.467 6.883 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.845 6.562 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.260 5.772 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.620 5.607 0.868 1.00 0.00 H new ATOM 1135 N PHE A 69 -6.112 9.084 -3.507 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.364 9.759 -3.832 1.00 0.00 C ATOM 1137 C PHE A 69 -8.248 8.869 -4.708 1.00 0.00 C ATOM 1138 O PHE A 69 -7.780 8.301 -5.694 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.082 11.082 -4.547 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.824 12.250 -3.962 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -7.586 12.655 -2.658 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.756 12.943 -4.716 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -8.266 13.730 -2.118 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -9.441 14.018 -4.180 1.00 0.00 C ATOM 1145 CZ PHE A 69 -9.195 14.412 -2.880 1.00 0.00 C ATOM 0 H PHE A 69 -5.778 8.444 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.893 9.964 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.012 11.286 -4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.350 10.982 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.861 12.125 -2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.950 12.640 -5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.071 14.037 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.167 14.549 -4.778 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.728 15.252 -2.459 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.544 8.734 -4.362 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.481 7.907 -5.129 1.00 0.00 C ATOM 1157 C PRO A 70 -10.714 8.455 -6.534 1.00 0.00 C ATOM 1158 O PRO A 70 -10.929 9.653 -6.714 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.782 7.964 -4.313 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.388 8.487 -2.973 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.197 9.368 -3.207 1.00 0.00 C ATOM 0 HA PRO A 70 -10.101 6.895 -5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.515 8.615 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.238 6.977 -4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.204 9.047 -2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.143 7.672 -2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.490 10.396 -3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.540 9.399 -2.338 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.369 4.565 -5.923 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.312 4.088 -5.038 1.00 0.00 C ATOM 1541 C VAL A 94 -9.932 4.391 -5.609 1.00 0.00 C ATOM 1542 O VAL A 94 -9.780 4.620 -6.809 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.427 2.573 -4.794 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.610 2.263 -3.891 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.548 1.828 -6.116 1.00 0.00 C ATOM 0 HA VAL A 94 -11.434 4.615 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.520 2.236 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.673 1.187 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.478 2.765 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.528 2.615 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.628 0.758 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.437 2.170 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.665 2.022 -6.725 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.925 4.385 -4.740 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.555 4.653 -5.154 1.00 0.00 C ATOM 1557 C ALA A 95 -6.739 3.365 -5.187 1.00 0.00 C ATOM 1558 O ALA A 95 -6.373 2.824 -4.144 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.909 5.666 -4.221 1.00 0.00 C ATOM 0 H ALA A 95 -9.034 4.197 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.577 5.070 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.885 5.856 -4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.476 6.597 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.902 5.272 -3.205 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.465 2.873 -6.391 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.700 1.643 -6.557 1.00 0.00 C ATOM 1567 C VAL A 96 -4.305 1.770 -5.958 1.00 0.00 C ATOM 1568 O VAL A 96 -3.588 2.735 -6.221 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.575 1.244 -8.040 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.098 -0.195 -8.164 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.899 1.438 -8.765 1.00 0.00 C ATOM 0 H VAL A 96 -6.761 3.307 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.250 0.865 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.836 1.893 -8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.015 -0.461 -9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.124 -0.298 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.813 -0.859 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.787 1.150 -9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.664 0.818 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.196 2.485 -8.707 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.926 0.784 -5.151 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.616 0.775 -4.512 1.00 0.00 C ATOM 1583 C VAL A 97 -1.880 -0.531 -4.790 1.00 0.00 C ATOM 1584 O VAL A 97 -2.495 -1.542 -5.127 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.733 0.967 -2.988 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.356 1.120 -2.362 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.610 2.167 -2.664 1.00 0.00 C ATOM 0 H VAL A 97 -4.510 -0.021 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.052 1.607 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.203 0.079 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.459 1.255 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.764 0.226 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.856 1.989 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.680 2.285 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.173 3.065 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.607 2.011 -3.077 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.559 -0.502 -4.645 1.00 0.00 N ATOM 1598 CA LYS A 98 0.263 -1.686 -4.878 1.00 0.00 C ATOM 1599 C LYS A 98 1.224 -1.917 -3.713 1.00 0.00 C ATOM 1600 O LYS A 98 1.554 -0.987 -2.978 1.00 0.00 O ATOM 1601 CB LYS A 98 1.047 -1.541 -6.183 1.00 0.00 C ATOM 1602 CG LYS A 98 0.253 -1.937 -7.416 1.00 0.00 C ATOM 1603 CD LYS A 98 1.147 -2.556 -8.479 1.00 0.00 C ATOM 1604 CE LYS A 98 0.335 -3.085 -9.651 1.00 0.00 C ATOM 1605 NZ LYS A 98 0.894 -4.358 -10.186 1.00 0.00 N ATOM 0 H LYS A 98 -0.034 0.328 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.399 -2.549 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.373 -0.506 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.946 -2.155 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.526 -2.646 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.247 -1.059 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.860 -1.812 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.727 -3.368 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.696 -3.246 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.312 -2.337 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.312 -4.685 -10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.869 -4.199 -10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.892 -5.080 -9.437 1.00 0.00 H new ATOM 1619 N PRO A 99 1.692 -3.163 -3.532 1.00 0.00 N ATOM 1620 CA PRO A 99 2.625 -3.510 -2.455 1.00 0.00 C ATOM 1621 C PRO A 99 3.829 -2.576 -2.417 1.00 0.00 C ATOM 1622 O PRO A 99 4.655 -2.569 -3.329 1.00 0.00 O ATOM 1623 CB PRO A 99 3.062 -4.945 -2.791 1.00 0.00 C ATOM 1624 CG PRO A 99 2.559 -5.210 -4.174 1.00 0.00 C ATOM 1625 CD PRO A 99 1.362 -4.327 -4.359 1.00 0.00 C ATOM 0 HA PRO A 99 2.161 -3.421 -1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.146 -5.045 -2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.645 -5.658 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.325 -4.988 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.291 -6.260 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.218 -4.054 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.445 -4.813 -4.027 1.00 0.00 H new ATOM 1633 N GLY A 100 3.916 -1.783 -1.353 1.00 0.00 N ATOM 1634 CA GLY A 100 5.014 -0.850 -1.211 1.00 0.00 C ATOM 1635 C GLY A 100 4.607 0.571 -1.550 1.00 0.00 C ATOM 1636 O GLY A 100 5.402 1.338 -2.093 1.00 0.00 O ATOM 0 H GLY A 100 3.243 -1.772 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.388 -0.885 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.834 -1.156 -1.860 1.00 0.00 H new ATOM 1640 N ARG A 101 3.361 0.921 -1.239 1.00 0.00 N ATOM 1641 CA ARG A 101 2.853 2.261 -1.527 1.00 0.00 C ATOM 1642 C ARG A 101 2.530 3.031 -0.247 1.00 0.00 C ATOM 1643 O ARG A 101 1.675 2.621 0.536 1.00 0.00 O ATOM 1644 CB ARG A 101 1.600 2.176 -2.403 1.00 0.00 C ATOM 1645 CG ARG A 101 1.724 2.929 -3.717 1.00 0.00 C ATOM 1646 CD ARG A 101 2.131 2.005 -4.853 1.00 0.00 C ATOM 1647 NE ARG A 101 1.162 2.020 -5.947 1.00 0.00 N ATOM 1648 CZ ARG A 101 1.097 2.979 -6.867 1.00 0.00 C ATOM 1649 NH1 ARG A 101 1.945 4.001 -6.831 1.00 0.00 N ATOM 1650 NH2 ARG A 101 0.185 2.917 -7.827 1.00 0.00 N ATOM 0 H ARG A 101 2.688 0.300 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 101 3.637 2.800 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.384 1.128 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.750 2.571 -1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.773 3.404 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.461 3.725 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.109 2.304 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.234 0.988 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 101 0.496 1.250 -6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.650 4.053 -6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.891 4.734 -7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.468 2.134 -7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.136 3.653 -8.532 1.00 0.00 H new ATOM 1664 N VAL A 102 3.211 4.157 -0.054 1.00 0.00 N ATOM 1665 CA VAL A 102 2.988 4.996 1.119 1.00 0.00 C ATOM 1666 C VAL A 102 1.754 5.871 0.920 1.00 0.00 C ATOM 1667 O VAL A 102 1.791 6.849 0.173 1.00 0.00 O ATOM 1668 CB VAL A 102 4.203 5.899 1.413 1.00 0.00 C ATOM 1669 CG1 VAL A 102 4.070 6.544 2.784 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.502 5.109 1.309 1.00 0.00 C ATOM 0 H VAL A 102 3.922 4.509 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 102 2.837 4.329 1.968 1.00 0.00 H new ATOM 0 HB VAL A 102 4.230 6.691 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.937 7.177 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.164 7.150 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.014 5.768 3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.345 5.766 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.489 4.292 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.602 4.703 0.302 1.00 0.00 H new ATOM 1680 N MET A 103 0.657 5.505 1.575 1.00 0.00 N ATOM 1681 CA MET A 103 -0.592 6.252 1.450 1.00 0.00 C ATOM 1682 C MET A 103 -0.769 7.270 2.574 1.00 0.00 C ATOM 1683 O MET A 103 -1.411 8.303 2.385 1.00 0.00 O ATOM 1684 CB MET A 103 -1.783 5.291 1.428 1.00 0.00 C ATOM 1685 CG MET A 103 -1.706 4.196 2.480 1.00 0.00 C ATOM 1686 SD MET A 103 -1.224 2.601 1.793 1.00 0.00 S ATOM 1687 CE MET A 103 -2.102 1.485 2.885 1.00 0.00 C ATOM 0 H MET A 103 0.606 4.698 2.197 1.00 0.00 H new ATOM 0 HA MET A 103 -0.547 6.802 0.510 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.701 5.861 1.576 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.849 4.831 0.442 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.990 4.487 3.249 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.676 4.098 2.968 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.392 0.812 3.365 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.628 2.060 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.821 0.903 2.309 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.209 6.980 3.745 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.329 7.885 4.886 1.00 0.00 C ATOM 1699 C PHE A 104 1.038 8.275 5.435 1.00 0.00 C ATOM 1700 O PHE A 104 2.013 7.538 5.285 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.166 7.241 5.992 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.631 7.161 5.672 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.128 6.131 4.892 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.511 8.117 6.154 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.476 6.054 4.598 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.860 8.045 5.863 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.343 7.013 5.084 1.00 0.00 C ATOM 0 H PHE A 104 0.328 6.133 3.929 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.827 8.790 4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.789 6.236 6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.035 7.810 6.913 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.454 5.379 4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.138 8.927 6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.851 5.245 3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.536 8.796 6.245 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.397 6.956 4.855 1.00 0.00 H new ATOM 1717 N GLU A 105 1.098 9.442 6.074 1.00 0.00 N ATOM 1718 CA GLU A 105 2.341 9.943 6.653 1.00 0.00 C ATOM 1719 C GLU A 105 2.050 10.898 7.808 1.00 0.00 C ATOM 1720 O GLU A 105 1.356 11.900 7.634 1.00 0.00 O ATOM 1721 CB GLU A 105 3.173 10.661 5.588 1.00 0.00 C ATOM 1722 CG GLU A 105 3.756 9.735 4.533 1.00 0.00 C ATOM 1723 CD GLU A 105 2.912 9.680 3.275 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.877 10.688 2.538 1.00 0.00 O ATOM 1725 OE2 GLU A 105 2.287 8.627 3.024 1.00 0.00 O ATOM 0 H GLU A 105 0.297 10.060 6.204 1.00 0.00 H new ATOM 0 HA GLU A 105 2.905 9.092 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.550 11.408 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.987 11.196 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.761 10.069 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.850 8.731 4.948 1.00 0.00 H new ATOM 1732 N VAL A 106 2.587 10.589 8.986 1.00 0.00 N ATOM 1733 CA VAL A 106 2.382 11.433 10.159 1.00 0.00 C ATOM 1734 C VAL A 106 3.678 12.117 10.579 1.00 0.00 C ATOM 1735 O VAL A 106 4.770 11.658 10.244 1.00 0.00 O ATOM 1736 CB VAL A 106 1.825 10.634 11.355 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.472 10.034 11.012 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.805 9.553 11.789 1.00 0.00 C ATOM 0 H VAL A 106 3.164 9.765 9.153 1.00 0.00 H new ATOM 0 HA VAL A 106 1.649 12.187 9.871 1.00 0.00 H new ATOM 0 HB VAL A 106 1.691 11.320 12.192 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.095 9.474 11.868 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.228 10.832 10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.577 9.365 10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.390 9.003 12.634 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.980 8.867 10.960 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.748 10.014 12.084 1.00 0.00 H new ATOM 1748 N ALA A 107 3.550 13.216 11.315 1.00 0.00 N ATOM 1749 CA ALA A 107 4.714 13.961 11.780 1.00 0.00 C ATOM 1750 C ALA A 107 4.383 14.772 13.029 1.00 0.00 C ATOM 1751 O ALA A 107 3.286 15.314 13.158 1.00 0.00 O ATOM 1752 CB ALA A 107 5.231 14.873 10.677 1.00 0.00 C ATOM 0 H ALA A 107 2.654 13.610 11.602 1.00 0.00 H new ATOM 0 HA ALA A 107 5.494 13.245 12.040 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.100 15.423 11.037 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.514 14.273 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.449 15.577 10.390 1.00 0.00 H new ATOM 1758 N GLY A 108 5.344 14.853 13.945 1.00 0.00 N ATOM 1759 CA GLY A 108 5.138 15.603 15.169 1.00 0.00 C ATOM 1760 C GLY A 108 4.636 14.739 16.311 1.00 0.00 C ATOM 1761 O GLY A 108 4.756 15.115 17.477 1.00 0.00 O ATOM 0 H GLY A 108 6.260 14.413 13.861 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.075 16.076 15.462 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.422 16.403 14.983 1.00 0.00 H new ATOM 1765 N VAL A 109 4.068 13.583 15.981 1.00 0.00 N ATOM 1766 CA VAL A 109 3.546 12.676 16.997 1.00 0.00 C ATOM 1767 C VAL A 109 4.614 11.693 17.465 1.00 0.00 C ATOM 1768 O VAL A 109 5.567 11.404 16.742 1.00 0.00 O ATOM 1769 CB VAL A 109 2.328 11.889 16.480 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.180 12.836 16.173 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.698 11.062 15.256 1.00 0.00 C ATOM 0 H VAL A 109 3.958 13.253 15.022 1.00 0.00 H new ATOM 0 HA VAL A 109 3.236 13.295 17.839 1.00 0.00 H new ATOM 0 HB VAL A 109 2.004 11.200 17.260 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.326 12.266 15.808 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.898 13.372 17.079 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.491 13.550 15.411 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.822 10.515 14.908 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.051 11.722 14.464 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.486 10.356 15.518 1.00 0.00 H new ATOM 1781 N THR A 110 4.444 11.182 18.680 1.00 0.00 N ATOM 1782 CA THR A 110 5.392 10.229 19.247 1.00 0.00 C ATOM 1783 C THR A 110 5.362 8.912 18.480 1.00 0.00 C ATOM 1784 O THR A 110 4.397 8.615 17.778 1.00 0.00 O ATOM 1785 CB THR A 110 5.077 9.981 20.723 1.00 0.00 C ATOM 1786 OG1 THR A 110 3.907 9.197 20.861 1.00 0.00 O ATOM 1787 CG2 THR A 110 4.872 11.256 21.513 1.00 0.00 C ATOM 0 H THR A 110 3.660 11.411 19.290 1.00 0.00 H new ATOM 0 HA THR A 110 6.392 10.655 19.163 1.00 0.00 H new ATOM 0 HB THR A 110 5.949 9.462 21.121 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.434 9.456 21.680 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.652 11.009 22.552 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.777 11.862 21.468 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.039 11.817 21.089 1.00 0.00 H new ATOM 1795 N GLU A 111 6.425 8.127 18.618 1.00 0.00 N ATOM 1796 CA GLU A 111 6.521 6.841 17.934 1.00 0.00 C ATOM 1797 C GLU A 111 5.349 5.934 18.299 1.00 0.00 C ATOM 1798 O GLU A 111 4.868 5.163 17.471 1.00 0.00 O ATOM 1799 CB GLU A 111 7.841 6.152 18.284 1.00 0.00 C ATOM 1800 CG GLU A 111 8.069 4.855 17.524 1.00 0.00 C ATOM 1801 CD GLU A 111 9.485 4.334 17.672 1.00 0.00 C ATOM 1802 OE1 GLU A 111 9.834 3.867 18.776 1.00 0.00 O ATOM 1803 OE2 GLU A 111 10.246 4.395 16.684 1.00 0.00 O ATOM 0 H GLU A 111 7.232 8.358 19.197 1.00 0.00 H new ATOM 0 HA GLU A 111 6.487 7.029 16.861 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.664 6.835 18.076 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.861 5.945 19.354 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.369 4.100 17.882 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.853 5.014 16.468 1.00 0.00 H new ATOM 1810 N GLU A 112 4.896 6.030 19.545 1.00 0.00 N ATOM 1811 CA GLU A 112 3.784 5.212 20.016 1.00 0.00 C ATOM 1812 C GLU A 112 2.473 5.637 19.358 1.00 0.00 C ATOM 1813 O GLU A 112 1.700 4.798 18.896 1.00 0.00 O ATOM 1814 CB GLU A 112 3.660 5.309 21.539 1.00 0.00 C ATOM 1815 CG GLU A 112 3.557 3.958 22.228 1.00 0.00 C ATOM 1816 CD GLU A 112 2.438 3.102 21.667 1.00 0.00 C ATOM 1817 OE1 GLU A 112 1.323 3.631 21.479 1.00 0.00 O ATOM 1818 OE2 GLU A 112 2.678 1.902 21.415 1.00 0.00 O ATOM 0 H GLU A 112 5.281 6.664 20.245 1.00 0.00 H new ATOM 0 HA GLU A 112 3.987 4.177 19.740 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.525 5.843 21.932 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.779 5.902 21.787 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.503 3.427 22.123 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.394 4.110 23.295 1.00 0.00 H new ATOM 1825 N GLN A 113 2.228 6.942 19.320 1.00 0.00 N ATOM 1826 CA GLN A 113 1.009 7.474 18.720 1.00 0.00 C ATOM 1827 C GLN A 113 1.078 7.421 17.198 1.00 0.00 C ATOM 1828 O GLN A 113 0.073 7.182 16.528 1.00 0.00 O ATOM 1829 CB GLN A 113 0.775 8.914 19.181 1.00 0.00 C ATOM 1830 CG GLN A 113 0.898 9.101 20.684 1.00 0.00 C ATOM 1831 CD GLN A 113 1.381 10.487 21.062 1.00 0.00 C ATOM 1832 OE1 GLN A 113 2.205 10.645 21.964 1.00 0.00 O ATOM 1833 NE2 GLN A 113 0.870 11.501 20.374 1.00 0.00 N ATOM 0 H GLN A 113 2.857 7.651 19.697 1.00 0.00 H new ATOM 0 HA GLN A 113 0.175 6.853 19.048 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.492 9.567 18.683 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -0.219 9.231 18.864 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -0.071 8.918 21.149 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.589 8.358 21.083 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.190 11.324 19.635 1.00 0.00 H new ATOM 0 HE22 GLN A 113 1.158 12.457 20.585 1.00 0.00 H new ATOM 1842 N ALA A 114 2.269 7.651 16.659 1.00 0.00 N ATOM 1843 CA ALA A 114 2.474 7.639 15.217 1.00 0.00 C ATOM 1844 C ALA A 114 2.396 6.225 14.650 1.00 0.00 C ATOM 1845 O ALA A 114 1.711 5.982 13.656 1.00 0.00 O ATOM 1846 CB ALA A 114 3.814 8.267 14.880 1.00 0.00 C ATOM 0 H ALA A 114 3.110 7.849 17.201 1.00 0.00 H new ATOM 0 HA ALA A 114 1.675 8.223 14.759 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.960 8.254 13.800 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.833 9.297 15.237 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.612 7.701 15.361 1.00 0.00 H new ATOM 1852 N MET A 115 3.103 5.296 15.283 1.00 0.00 N ATOM 1853 CA MET A 115 3.114 3.909 14.835 1.00 0.00 C ATOM 1854 C MET A 115 1.728 3.285 14.962 1.00 0.00 C ATOM 1855 O MET A 115 1.251 2.616 14.046 1.00 0.00 O ATOM 1856 CB MET A 115 4.131 3.099 15.640 1.00 0.00 C ATOM 1857 CG MET A 115 5.573 3.508 15.381 1.00 0.00 C ATOM 1858 SD MET A 115 6.494 2.271 14.447 1.00 0.00 S ATOM 1859 CE MET A 115 7.538 3.320 13.437 1.00 0.00 C ATOM 0 H MET A 115 3.676 5.478 16.107 1.00 0.00 H new ATOM 0 HA MET A 115 3.402 3.894 13.784 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.915 3.212 16.702 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.013 2.042 15.401 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.586 4.452 14.836 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.073 3.683 16.334 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.969 2.732 12.626 1.00 0.00 H new ATOM 0 HE2 MET A 115 6.943 4.132 13.020 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.339 3.734 14.050 1.00 0.00 H new ATOM 1869 N GLU A 116 1.086 3.513 16.102 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.248 2.976 16.343 1.00 0.00 C ATOM 1871 C GLU A 116 -1.259 3.586 15.379 1.00 0.00 C ATOM 1872 O GLU A 116 -2.044 2.873 14.756 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.677 3.245 17.786 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.658 2.219 18.330 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.453 1.944 19.807 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -1.050 2.876 20.534 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -1.697 0.797 20.236 1.00 0.00 O ATOM 0 H GLU A 116 1.466 4.064 16.872 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.215 1.899 16.177 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.208 3.262 18.422 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.130 4.235 17.843 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.676 2.573 18.168 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.552 1.288 17.772 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.232 4.910 15.259 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.147 5.615 14.369 1.00 0.00 C ATOM 1886 C ALA A 117 -2.027 5.099 12.940 1.00 0.00 C ATOM 1887 O ALA A 117 -3.029 4.784 12.296 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.877 7.111 14.415 1.00 0.00 C ATOM 0 H ALA A 117 -0.587 5.515 15.767 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.165 5.429 14.711 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.567 7.626 13.746 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.018 7.475 15.433 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.852 7.306 14.099 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.796 5.003 12.450 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.549 4.516 11.099 1.00 0.00 C ATOM 1896 C LEU A 118 -1.097 3.102 10.936 1.00 0.00 C ATOM 1897 O LEU A 118 -1.558 2.722 9.859 1.00 0.00 O ATOM 1898 CB LEU A 118 0.951 4.538 10.790 1.00 0.00 C ATOM 1899 CG LEU A 118 1.478 5.795 10.081 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.590 7.002 10.349 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.905 6.083 10.519 1.00 0.00 C ATOM 0 H LEU A 118 0.045 5.256 12.968 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.061 5.173 10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.496 4.419 11.727 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.186 3.672 10.172 1.00 0.00 H new ATOM 0 HG LEU A 118 1.464 5.605 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.993 7.873 9.832 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.418 6.800 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.558 7.199 11.421 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.269 6.976 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.929 6.244 11.597 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.542 5.236 10.264 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.045 2.328 12.016 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.541 0.958 11.999 1.00 0.00 C ATOM 1915 C ARG A 119 -3.066 0.938 12.006 1.00 0.00 C ATOM 1916 O ARG A 119 -3.689 0.118 11.331 1.00 0.00 O ATOM 1917 CB ARG A 119 -0.996 0.180 13.201 1.00 0.00 C ATOM 1918 CG ARG A 119 0.008 -0.896 12.822 1.00 0.00 C ATOM 1919 CD ARG A 119 0.968 -1.188 13.964 1.00 0.00 C ATOM 1920 NE ARG A 119 0.290 -1.794 15.107 1.00 0.00 N ATOM 1921 CZ ARG A 119 0.917 -2.469 16.069 1.00 0.00 C ATOM 1922 NH1 ARG A 119 2.235 -2.624 16.030 1.00 0.00 N ATOM 1923 NH2 ARG A 119 0.224 -2.988 17.073 1.00 0.00 N ATOM 0 H ARG A 119 -0.664 2.627 12.914 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.194 0.479 11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.524 0.878 13.892 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.828 -0.282 13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.521 -1.809 12.547 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.571 -0.578 11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.756 -1.855 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.451 -0.262 14.278 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.723 -1.694 15.172 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.773 -2.225 15.261 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.710 -3.142 16.770 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.789 -2.870 17.108 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.703 -3.505 17.810 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.664 1.852 12.768 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.117 1.943 12.854 1.00 0.00 C ATOM 1939 C ILE A 120 -5.726 2.140 11.468 1.00 0.00 C ATOM 1940 O ILE A 120 -6.748 1.540 11.137 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.554 3.100 13.779 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.078 2.845 15.210 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.067 3.278 13.751 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -4.881 4.109 16.016 1.00 0.00 C ATOM 0 H ILE A 120 -3.164 2.538 13.333 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.478 1.006 13.277 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.095 4.019 13.413 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.804 2.210 15.718 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.138 2.294 15.179 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.349 4.099 14.410 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.388 3.503 12.734 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.548 2.360 14.089 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.543 3.851 17.020 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.133 4.737 15.531 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.824 4.651 16.079 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.085 2.979 10.662 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.558 3.247 9.310 1.00 0.00 C ATOM 1958 C ALA A 121 -5.550 1.972 8.477 1.00 0.00 C ATOM 1959 O ALA A 121 -6.496 1.691 7.742 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.701 4.318 8.651 1.00 0.00 C ATOM 0 H ALA A 121 -4.238 3.484 10.921 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.584 3.611 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.067 4.507 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.755 5.237 9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.666 3.978 8.604 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.473 1.202 8.601 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.357 -0.039 7.859 1.00 0.00 C ATOM 1968 C GLY A 122 -5.218 -1.145 8.439 1.00 0.00 C ATOM 1969 O GLY A 122 -5.563 -2.101 7.745 1.00 0.00 O ATOM 0 H GLY A 122 -3.678 1.416 9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.643 0.134 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.315 -0.359 7.853 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.567 -1.017 9.717 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.395 -2.014 10.385 1.00 0.00 C ATOM 1975 C HIS A 123 -7.736 -2.165 9.673 1.00 0.00 C ATOM 1976 O HIS A 123 -8.269 -3.268 9.558 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.619 -1.625 11.847 1.00 0.00 C ATOM 1978 CG HIS A 123 -5.699 -2.324 12.800 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -4.548 -2.970 12.398 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -5.763 -2.477 14.144 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -3.946 -3.490 13.452 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -4.663 -3.205 14.523 1.00 0.00 N ATOM 0 H HIS A 123 -5.289 -0.234 10.308 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.874 -2.971 10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.488 -0.548 11.952 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.650 -1.849 12.120 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -6.536 -2.097 14.796 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -3.024 -4.053 13.440 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.436 -3.481 15.478 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.272 -1.047 9.194 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.550 -1.053 8.489 1.00 0.00 C ATOM 1993 C LYS A 124 -9.351 -1.245 6.985 1.00 0.00 C ATOM 1994 O LYS A 124 -10.318 -1.255 6.222 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.304 0.252 8.751 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.586 1.486 8.233 1.00 0.00 C ATOM 1997 CD LYS A 124 -10.408 2.745 8.456 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.405 3.160 9.918 1.00 0.00 C ATOM 1999 NZ LYS A 124 -11.477 4.150 10.222 1.00 0.00 N ATOM 0 H LYS A 124 -7.842 -0.126 9.281 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.137 -1.891 8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.288 0.193 8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.465 0.359 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.623 1.585 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -9.380 1.368 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -10.008 3.555 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.433 2.575 8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.538 2.278 10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -9.435 3.588 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.054 5.002 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.971 4.407 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.155 3.733 10.892 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.098 -1.400 6.564 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.787 -1.594 5.152 1.00 0.00 C ATOM 2015 C LEU A 125 -7.922 -3.064 4.765 1.00 0.00 C ATOM 2016 O LEU A 125 -7.812 -3.949 5.613 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.368 -1.106 4.846 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.209 0.413 4.746 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.769 0.782 4.420 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.155 0.975 3.699 1.00 0.00 C ATOM 0 H LEU A 125 -7.284 -1.395 7.179 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.498 -1.012 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.699 -1.475 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.042 -1.552 3.906 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.462 0.851 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.677 1.866 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.111 0.410 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.486 0.335 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.031 2.056 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.931 0.530 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.183 0.743 3.976 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.163 -3.343 3.473 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.314 -4.706 2.973 1.00 0.00 C ATOM 2034 C PRO A 126 -6.979 -5.344 2.597 1.00 0.00 C ATOM 2035 O PRO A 126 -6.940 -6.332 1.864 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.178 -4.504 1.733 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.773 -3.167 1.207 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.313 -2.350 2.393 1.00 0.00 C ATOM 0 HA PRO A 126 -8.741 -5.379 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.005 -5.289 0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.239 -4.528 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -7.973 -3.267 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.609 -2.681 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.372 -1.840 2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.041 -1.582 2.655 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.887 -4.775 3.098 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.555 -5.290 2.809 1.00 0.00 C ATOM 2048 C ILE A 127 -3.600 -5.029 3.969 1.00 0.00 C ATOM 2049 O ILE A 127 -3.904 -4.252 4.873 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.980 -4.657 1.528 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.151 -3.136 1.557 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.659 -5.247 0.301 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.211 -2.438 2.514 1.00 0.00 C ATOM 0 H ILE A 127 -5.899 -3.956 3.706 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.653 -6.366 2.663 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.914 -4.880 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.992 -2.742 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.179 -2.900 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.244 -4.792 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.490 -6.323 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.730 -5.049 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.390 -1.363 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.385 -2.804 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.180 -2.643 2.226 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.444 -5.685 3.938 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.446 -5.523 4.989 1.00 0.00 C ATOM 2067 C LYS A 128 -0.749 -4.172 4.876 1.00 0.00 C ATOM 2068 O LYS A 128 -0.606 -3.624 3.783 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.414 -6.647 4.922 1.00 0.00 C ATOM 2070 CG LYS A 128 0.265 -6.923 6.253 1.00 0.00 C ATOM 2071 CD LYS A 128 1.579 -7.658 6.065 1.00 0.00 C ATOM 2072 CE LYS A 128 2.350 -7.762 7.371 1.00 0.00 C ATOM 2073 NZ LYS A 128 3.821 -7.805 7.145 1.00 0.00 N ATOM 0 H LYS A 128 -2.176 -6.333 3.197 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.960 -5.568 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.902 -7.558 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.344 -6.390 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 128 0.444 -5.982 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.397 -7.515 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 128 1.386 -8.657 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 128 2.185 -7.138 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.105 -6.911 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 128 2.038 -8.659 7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 4.301 -8.062 8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.040 -8.513 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.151 -6.870 6.830 1.00 0.00 H new ATOM 2087 N THR A 129 -0.318 -3.640 6.014 1.00 0.00 N ATOM 2088 CA THR A 129 0.364 -2.352 6.047 1.00 0.00 C ATOM 2089 C THR A 129 1.363 -2.296 7.197 1.00 0.00 C ATOM 2090 O THR A 129 1.141 -2.890 8.252 1.00 0.00 O ATOM 2091 CB THR A 129 -0.651 -1.217 6.189 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.313 -1.291 7.439 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.712 -1.215 5.109 1.00 0.00 C ATOM 0 H THR A 129 -0.429 -4.081 6.927 1.00 0.00 H new ATOM 0 HA THR A 129 0.906 -2.233 5.109 1.00 0.00 H new ATOM 0 HB THR A 129 -0.068 -0.300 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.813 -0.774 8.105 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.397 -0.383 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.238 -1.107 4.133 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.266 -2.153 5.142 1.00 0.00 H new ATOM 2101 N LYS A 130 2.466 -1.581 6.989 1.00 0.00 N ATOM 2102 CA LYS A 130 3.493 -1.456 8.018 1.00 0.00 C ATOM 2103 C LYS A 130 3.959 -0.009 8.159 1.00 0.00 C ATOM 2104 O LYS A 130 3.849 0.783 7.223 1.00 0.00 O ATOM 2105 CB LYS A 130 4.684 -2.357 7.692 1.00 0.00 C ATOM 2106 CG LYS A 130 5.344 -2.032 6.363 1.00 0.00 C ATOM 2107 CD LYS A 130 6.750 -2.603 6.285 1.00 0.00 C ATOM 2108 CE LYS A 130 7.563 -1.928 5.193 1.00 0.00 C ATOM 2109 NZ LYS A 130 9.027 -2.115 5.393 1.00 0.00 N ATOM 0 H LYS A 130 2.670 -1.083 6.123 1.00 0.00 H new ATOM 0 HA LYS A 130 3.056 -1.769 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.424 -2.269 8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.351 -3.395 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.741 -2.434 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.381 -0.951 6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.250 -2.475 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.699 -3.675 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.275 -2.333 4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.332 -0.863 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.546 -1.640 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.308 -1.706 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.252 -3.130 5.385 1.00 0.00 H new ATOM 2123 N ILE A 131 4.486 0.326 9.333 1.00 0.00 N ATOM 2124 CA ILE A 131 4.978 1.676 9.594 1.00 0.00 C ATOM 2125 C ILE A 131 6.427 1.814 9.147 1.00 0.00 C ATOM 2126 O ILE A 131 7.228 0.896 9.328 1.00 0.00 O ATOM 2127 CB ILE A 131 4.895 2.049 11.092 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.695 1.375 11.765 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.827 3.562 11.258 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.361 1.787 11.183 1.00 0.00 C ATOM 0 H ILE A 131 4.584 -0.318 10.118 1.00 0.00 H new ATOM 0 HA ILE A 131 4.338 2.352 9.027 1.00 0.00 H new ATOM 0 HB ILE A 131 5.798 1.685 11.583 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.801 0.294 11.678 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.706 1.612 12.829 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.769 3.809 12.318 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.720 4.016 10.828 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.943 3.945 10.747 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.559 1.270 11.709 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.232 2.864 11.294 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.329 1.525 10.125 1.00 0.00 H new ATOM 2142 N VAL A 132 6.766 2.961 8.570 1.00 0.00 N ATOM 2143 CA VAL A 132 8.128 3.198 8.115 1.00 0.00 C ATOM 2144 C VAL A 132 8.515 4.667 8.253 1.00 0.00 C ATOM 2145 O VAL A 132 7.659 5.552 8.279 1.00 0.00 O ATOM 2146 CB VAL A 132 8.327 2.742 6.655 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.814 1.323 6.466 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.645 3.696 5.687 1.00 0.00 C ATOM 0 H VAL A 132 6.122 3.735 8.408 1.00 0.00 H new ATOM 0 HA VAL A 132 8.780 2.604 8.755 1.00 0.00 H new ATOM 0 HB VAL A 132 9.395 2.754 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.962 1.017 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.360 0.648 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.752 1.285 6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.801 3.351 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.576 3.728 5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.068 4.694 5.801 1.00 0.00 H new ATOM 2158 N ARG A 133 9.815 4.910 8.347 1.00 0.00 N ATOM 2159 CA ARG A 133 10.351 6.259 8.493 1.00 0.00 C ATOM 2160 C ARG A 133 10.806 6.822 7.159 1.00 0.00 C ATOM 2161 O ARG A 133 10.958 6.085 6.187 1.00 0.00 O ATOM 2162 CB ARG A 133 11.536 6.261 9.445 1.00 0.00 C ATOM 2163 CG ARG A 133 11.285 7.024 10.735 1.00 0.00 C ATOM 2164 CD ARG A 133 11.930 6.340 11.930 1.00 0.00 C ATOM 2165 NE ARG A 133 11.722 4.893 11.922 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.466 4.033 12.612 1.00 0.00 C ATOM 2167 NH1 ARG A 133 13.468 4.467 13.369 1.00 0.00 N ATOM 2168 NH2 ARG A 133 12.209 2.733 12.548 1.00 0.00 N ATOM 0 H ARG A 133 10.527 4.180 8.324 1.00 0.00 H new ATOM 0 HA ARG A 133 9.549 6.881 8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.797 5.231 9.688 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.397 6.697 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.677 8.037 10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.212 7.112 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.999 6.551 11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.521 6.758 12.850 1.00 0.00 H new ATOM 0 HE ARG A 133 10.961 4.521 11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.671 5.465 13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.035 3.802 13.896 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.441 2.393 11.970 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.780 2.074 13.077 1.00 0.00 H new