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 43 THR OG1 : rot 43:sc=-0.00392 USER MOD Set 1.2: A 46 GLN : amide:sc= -1.47 K(o=-1.5,f=-6.4!) USER MOD Single : A 32 TYR OH : rot 130:sc= -2.42 USER MOD Single : A 45 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.6!) USER MOD Single : A 54 MET CE :methyl 151:sc= -8.99! (180deg=-11.2!) USER MOD Single : A 57 HIS : no HE2:sc= -5.45 K(o=-5.4,f=-11!) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0109) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl 178:sc= -4.21! (180deg=-4.26!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 115 MET CE :methyl 176:sc= -0.56 (180deg=-0.65) USER MOD Single : A 123 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.48) USER MOD Single : A 124 LYS NZ :NH3+ 172:sc= -0.686 (180deg=-0.865) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -50:sc= -1.07 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.078 12.563 8.853 1.00 0.00 N ATOM 508 CA ASP A 31 8.197 11.814 9.411 1.00 0.00 C ATOM 509 C ASP A 31 7.992 10.313 9.226 1.00 0.00 C ATOM 510 O ASP A 31 8.924 9.587 8.878 1.00 0.00 O ATOM 511 CB ASP A 31 8.367 12.140 10.896 1.00 0.00 C ATOM 512 CG ASP A 31 8.816 13.570 11.124 1.00 0.00 C ATOM 513 OD1 ASP A 31 8.257 14.479 10.475 1.00 0.00 O ATOM 514 OD2 ASP A 31 9.728 13.781 11.951 1.00 0.00 O ATOM 0 HA ASP A 31 9.101 12.107 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.422 11.971 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.096 11.458 11.334 1.00 0.00 H new ATOM 519 N TYR A 32 6.766 9.855 9.460 1.00 0.00 N ATOM 520 CA TYR A 32 6.437 8.442 9.315 1.00 0.00 C ATOM 521 C TYR A 32 5.629 8.206 8.045 1.00 0.00 C ATOM 522 O TYR A 32 5.175 9.153 7.404 1.00 0.00 O ATOM 523 CB TYR A 32 5.653 7.951 10.531 1.00 0.00 C ATOM 524 CG TYR A 32 6.529 7.567 11.700 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.482 6.563 11.578 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.405 8.209 12.925 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.285 6.209 12.645 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.204 7.861 13.997 1.00 0.00 C ATOM 529 CZ TYR A 32 8.143 6.861 13.852 1.00 0.00 C ATOM 530 OH TYR A 32 8.942 6.512 14.916 1.00 0.00 O ATOM 0 H TYR A 32 5.984 10.442 9.751 1.00 0.00 H new ATOM 0 HA TYR A 32 7.369 7.881 9.245 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.962 8.732 10.847 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.050 7.090 10.241 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.597 6.051 10.634 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.672 8.993 13.042 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.020 5.426 12.535 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.094 8.369 14.944 1.00 0.00 H new ATOM 0 HH TYR A 32 9.344 7.318 15.302 1.00 0.00 H new ATOM 540 N GLY A 33 5.453 6.939 7.685 1.00 0.00 N ATOM 541 CA GLY A 33 4.700 6.615 6.489 1.00 0.00 C ATOM 542 C GLY A 33 4.085 5.231 6.532 1.00 0.00 C ATOM 543 O GLY A 33 4.765 4.248 6.824 1.00 0.00 O ATOM 0 H GLY A 33 5.816 6.135 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.910 7.353 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.357 6.688 5.622 1.00 0.00 H new ATOM 547 N LEU A 34 2.793 5.154 6.226 1.00 0.00 N ATOM 548 CA LEU A 34 2.082 3.881 6.216 1.00 0.00 C ATOM 549 C LEU A 34 2.135 3.267 4.823 1.00 0.00 C ATOM 550 O LEU A 34 1.655 3.858 3.856 1.00 0.00 O ATOM 551 CB LEU A 34 0.624 4.080 6.648 1.00 0.00 C ATOM 552 CG LEU A 34 -0.121 2.814 7.089 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.691 2.086 5.883 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.788 1.891 7.891 1.00 0.00 C ATOM 0 H LEU A 34 2.217 5.960 5.982 1.00 0.00 H new ATOM 0 HA LEU A 34 2.565 3.205 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.603 4.796 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.078 4.530 5.819 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.945 3.116 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.216 1.190 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.386 2.741 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.120 1.804 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.232 1.002 8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.640 1.597 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.143 2.412 8.780 1.00 0.00 H new ATOM 566 N VAL A 35 2.738 2.088 4.720 1.00 0.00 N ATOM 567 CA VAL A 35 2.869 1.418 3.434 1.00 0.00 C ATOM 568 C VAL A 35 1.902 0.252 3.287 1.00 0.00 C ATOM 569 O VAL A 35 1.616 -0.464 4.245 1.00 0.00 O ATOM 570 CB VAL A 35 4.298 0.887 3.217 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.694 -0.050 4.348 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.405 0.181 1.871 1.00 0.00 C ATOM 0 H VAL A 35 3.141 1.580 5.507 1.00 0.00 H new ATOM 0 HA VAL A 35 2.634 2.174 2.684 1.00 0.00 H new ATOM 0 HB VAL A 35 4.986 1.733 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.707 -0.416 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.656 0.487 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.004 -0.893 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.421 -0.188 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.708 -0.656 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.162 0.882 1.072 1.00 0.00 H new ATOM 582 N ALA A 36 1.436 0.054 2.062 1.00 0.00 N ATOM 583 CA ALA A 36 0.535 -1.042 1.749 1.00 0.00 C ATOM 584 C ALA A 36 1.332 -2.203 1.174 1.00 0.00 C ATOM 585 O ALA A 36 1.881 -2.100 0.078 1.00 0.00 O ATOM 586 CB ALA A 36 -0.530 -0.587 0.763 1.00 0.00 C ATOM 0 H ALA A 36 1.670 0.644 1.264 1.00 0.00 H new ATOM 0 HA ALA A 36 0.036 -1.369 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.197 -1.419 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.104 0.231 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.053 -0.246 -0.156 1.00 0.00 H new ATOM 592 N LEU A 37 1.415 -3.294 1.929 1.00 0.00 N ATOM 593 CA LEU A 37 2.170 -4.469 1.504 1.00 0.00 C ATOM 594 C LEU A 37 1.358 -5.371 0.573 1.00 0.00 C ATOM 595 O LEU A 37 1.795 -6.472 0.237 1.00 0.00 O ATOM 596 CB LEU A 37 2.623 -5.268 2.726 1.00 0.00 C ATOM 597 CG LEU A 37 3.151 -4.426 3.889 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.096 -5.215 5.188 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.569 -3.960 3.602 1.00 0.00 C ATOM 0 H LEU A 37 0.968 -3.389 2.841 1.00 0.00 H new ATOM 0 HA LEU A 37 3.038 -4.114 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.784 -5.866 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.403 -5.964 2.418 1.00 0.00 H new ATOM 0 HG LEU A 37 2.515 -3.547 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.476 -4.600 6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.065 -5.500 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.708 -6.112 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.932 -3.362 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.217 -4.826 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.577 -3.357 2.694 1.00 0.00 H new ATOM 611 N GLU A 38 0.183 -4.910 0.155 1.00 0.00 N ATOM 612 CA GLU A 38 -0.662 -5.697 -0.736 1.00 0.00 C ATOM 613 C GLU A 38 -1.606 -4.801 -1.536 1.00 0.00 C ATOM 614 O GLU A 38 -1.993 -3.727 -1.075 1.00 0.00 O ATOM 615 CB GLU A 38 -1.463 -6.726 0.066 1.00 0.00 C ATOM 616 CG GLU A 38 -1.232 -8.160 -0.382 1.00 0.00 C ATOM 617 CD GLU A 38 -2.526 -8.913 -0.620 1.00 0.00 C ATOM 618 OE1 GLU A 38 -3.157 -9.337 0.372 1.00 0.00 O ATOM 619 OE2 GLU A 38 -2.908 -9.080 -1.797 1.00 0.00 O ATOM 0 H GLU A 38 -0.203 -4.003 0.416 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.015 -6.220 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.201 -6.637 1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.525 -6.494 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.642 -8.160 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.646 -8.683 0.374 1.00 0.00 H new ATOM 626 N PRO A 39 -1.985 -5.230 -2.753 1.00 0.00 N ATOM 627 CA PRO A 39 -2.883 -4.461 -3.620 1.00 0.00 C ATOM 628 C PRO A 39 -4.310 -4.411 -3.082 1.00 0.00 C ATOM 629 O PRO A 39 -4.852 -5.424 -2.639 1.00 0.00 O ATOM 630 CB PRO A 39 -2.849 -5.215 -4.960 1.00 0.00 C ATOM 631 CG PRO A 39 -1.724 -6.190 -4.848 1.00 0.00 C ATOM 632 CD PRO A 39 -1.571 -6.489 -3.386 1.00 0.00 C ATOM 0 HA PRO A 39 -2.565 -3.421 -3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.793 -5.727 -5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.690 -4.528 -5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.939 -7.099 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.805 -5.772 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.199 -7.324 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.544 -6.751 -3.132 1.00 0.00 H new ATOM 640 N ALA A 40 -4.915 -3.228 -3.131 1.00 0.00 N ATOM 641 CA ALA A 40 -6.281 -3.050 -2.653 1.00 0.00 C ATOM 642 C ALA A 40 -6.864 -1.723 -3.130 1.00 0.00 C ATOM 643 O ALA A 40 -6.146 -0.867 -3.646 1.00 0.00 O ATOM 644 CB ALA A 40 -6.326 -3.133 -1.135 1.00 0.00 C ATOM 0 H ALA A 40 -4.481 -2.380 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.890 -3.853 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.352 -2.998 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.962 -4.109 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.696 -2.352 -0.709 1.00 0.00 H new ATOM 650 N TRP A 41 -8.171 -1.562 -2.950 1.00 0.00 N ATOM 651 CA TRP A 41 -8.855 -0.341 -3.356 1.00 0.00 C ATOM 652 C TRP A 41 -9.293 0.463 -2.134 1.00 0.00 C ATOM 653 O TRP A 41 -10.129 0.012 -1.352 1.00 0.00 O ATOM 654 CB TRP A 41 -10.072 -0.677 -4.222 1.00 0.00 C ATOM 655 CG TRP A 41 -9.709 -1.295 -5.538 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.604 -1.026 -6.291 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.455 -2.285 -6.256 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.615 -1.787 -7.435 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.741 -2.569 -7.436 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.655 -2.959 -6.015 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.190 -3.497 -8.372 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -12.099 -3.881 -6.946 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.367 -4.143 -8.111 1.00 0.00 C ATOM 0 H TRP A 41 -8.778 -2.263 -2.525 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.159 0.262 -3.939 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.722 -1.360 -3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.644 0.233 -4.401 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.833 -0.318 -6.027 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.902 -1.772 -8.164 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.225 -2.764 -5.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.629 -3.700 -9.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.026 -4.408 -6.772 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.740 -4.870 -8.818 1.00 0.00 H new ATOM 674 N ILE A 42 -8.720 1.651 -1.975 1.00 0.00 N ATOM 675 CA ILE A 42 -9.052 2.512 -0.845 1.00 0.00 C ATOM 676 C ILE A 42 -10.232 3.422 -1.167 1.00 0.00 C ATOM 677 O ILE A 42 -10.159 4.256 -2.069 1.00 0.00 O ATOM 678 CB ILE A 42 -7.850 3.380 -0.424 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.581 2.528 -0.334 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.131 4.064 0.905 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.651 1.449 0.724 1.00 0.00 C ATOM 0 H ILE A 42 -8.025 2.039 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.322 1.852 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.694 4.149 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.395 2.064 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.731 3.177 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.273 4.673 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -9.011 4.699 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.310 3.310 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.718 0.885 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.806 1.907 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.480 0.776 0.503 1.00 0.00 H new ATOM 693 N THR A 43 -11.320 3.256 -0.420 1.00 0.00 N ATOM 694 CA THR A 43 -12.518 4.061 -0.622 1.00 0.00 C ATOM 695 C THR A 43 -12.362 5.439 0.008 1.00 0.00 C ATOM 696 O THR A 43 -11.427 5.683 0.770 1.00 0.00 O ATOM 697 CB THR A 43 -13.737 3.358 -0.025 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.371 2.584 1.106 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.434 2.444 -1.006 1.00 0.00 C ATOM 0 H THR A 43 -11.395 2.570 0.331 1.00 0.00 H new ATOM 0 HA THR A 43 -12.663 4.183 -1.695 1.00 0.00 H new ATOM 0 HB THR A 43 -14.424 4.156 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.746 3.094 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.290 1.975 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.775 3.023 -1.864 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.740 1.673 -1.341 1.00 0.00 H new ATOM 707 N ALA A 44 -13.290 6.333 -0.312 1.00 0.00 N ATOM 708 CA ALA A 44 -13.262 7.686 0.225 1.00 0.00 C ATOM 709 C ALA A 44 -13.274 7.662 1.748 1.00 0.00 C ATOM 710 O ALA A 44 -12.533 8.401 2.396 1.00 0.00 O ATOM 711 CB ALA A 44 -14.442 8.488 -0.305 1.00 0.00 C ATOM 0 H ALA A 44 -14.071 6.144 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.339 8.167 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.409 9.498 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.390 8.536 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.373 8.006 -0.007 1.00 0.00 H new ATOM 717 N GLN A 45 -14.121 6.807 2.314 1.00 0.00 N ATOM 718 CA GLN A 45 -14.243 6.675 3.735 1.00 0.00 C ATOM 719 C GLN A 45 -12.932 6.243 4.380 1.00 0.00 C ATOM 720 O GLN A 45 -12.573 6.728 5.442 1.00 0.00 O ATOM 721 CB GLN A 45 -15.327 5.653 4.005 1.00 0.00 C ATOM 722 CG GLN A 45 -16.524 6.231 4.711 1.00 0.00 C ATOM 723 CD GLN A 45 -16.678 5.724 6.132 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.238 4.622 6.461 1.00 0.00 O ATOM 725 NE2 GLN A 45 -17.307 6.527 6.982 1.00 0.00 N ATOM 0 H GLN A 45 -14.738 6.191 1.785 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.499 7.641 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.647 5.214 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.913 4.844 4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.440 7.318 4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.424 5.989 4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -17.655 7.432 6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.442 6.239 7.951 1.00 0.00 H new ATOM 734 N GLN A 46 -12.222 5.325 3.743 1.00 0.00 N ATOM 735 CA GLN A 46 -10.962 4.840 4.290 1.00 0.00 C ATOM 736 C GLN A 46 -9.972 5.986 4.478 1.00 0.00 C ATOM 737 O GLN A 46 -9.184 5.986 5.424 1.00 0.00 O ATOM 738 CB GLN A 46 -10.361 3.765 3.381 1.00 0.00 C ATOM 739 CG GLN A 46 -10.646 2.347 3.851 1.00 0.00 C ATOM 740 CD GLN A 46 -10.594 1.336 2.723 1.00 0.00 C ATOM 741 OE1 GLN A 46 -9.556 1.145 2.091 1.00 0.00 O ATOM 742 NE2 GLN A 46 -11.720 0.680 2.466 1.00 0.00 N ATOM 0 H GLN A 46 -12.492 4.903 2.855 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.166 4.400 5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.754 3.891 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.282 3.911 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.921 2.069 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.630 2.314 4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.558 0.870 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.747 -0.014 1.719 1.00 0.00 H new ATOM 751 N ILE A 47 -10.018 6.958 3.577 1.00 0.00 N ATOM 752 CA ILE A 47 -9.123 8.106 3.653 1.00 0.00 C ATOM 753 C ILE A 47 -9.484 9.023 4.821 1.00 0.00 C ATOM 754 O ILE A 47 -8.622 9.395 5.617 1.00 0.00 O ATOM 755 CB ILE A 47 -9.145 8.924 2.346 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.922 8.009 1.139 1.00 0.00 C ATOM 757 CG2 ILE A 47 -8.090 10.020 2.389 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.477 8.566 -0.154 1.00 0.00 C ATOM 0 H ILE A 47 -10.663 6.975 2.787 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.120 7.708 3.810 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.124 9.392 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.853 7.833 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.384 7.042 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.118 10.589 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.291 10.686 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.104 9.571 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.283 7.865 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.552 8.716 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.997 9.519 -0.375 1.00 0.00 H new ATOM 770 N GLU A 48 -10.758 9.392 4.913 1.00 0.00 N ATOM 771 CA GLU A 48 -11.223 10.275 5.980 1.00 0.00 C ATOM 772 C GLU A 48 -11.512 9.501 7.265 1.00 0.00 C ATOM 773 O GLU A 48 -11.107 9.912 8.352 1.00 0.00 O ATOM 774 CB GLU A 48 -12.481 11.024 5.533 1.00 0.00 C ATOM 775 CG GLU A 48 -12.668 12.365 6.222 1.00 0.00 C ATOM 776 CD GLU A 48 -13.960 13.049 5.825 1.00 0.00 C ATOM 777 OE1 GLU A 48 -14.175 13.255 4.612 1.00 0.00 O ATOM 778 OE2 GLU A 48 -14.759 13.381 6.727 1.00 0.00 O ATOM 0 H GLU A 48 -11.486 9.095 4.264 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.427 10.990 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.436 11.182 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.353 10.400 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.656 12.219 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.827 13.015 5.978 1.00 0.00 H new ATOM 785 N ALA A 49 -12.218 8.384 7.132 1.00 0.00 N ATOM 786 CA ALA A 49 -12.569 7.552 8.280 1.00 0.00 C ATOM 787 C ALA A 49 -11.325 7.134 9.059 1.00 0.00 C ATOM 788 O ALA A 49 -11.286 7.236 10.285 1.00 0.00 O ATOM 789 CB ALA A 49 -13.351 6.322 7.831 1.00 0.00 C ATOM 0 H ALA A 49 -12.560 8.032 6.238 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.200 8.145 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.604 5.714 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.266 6.636 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.743 5.735 7.142 1.00 0.00 H new ATOM 795 N ALA A 50 -10.312 6.666 8.339 1.00 0.00 N ATOM 796 CA ALA A 50 -9.067 6.236 8.963 1.00 0.00 C ATOM 797 C ALA A 50 -8.349 7.410 9.620 1.00 0.00 C ATOM 798 O ALA A 50 -7.845 7.295 10.736 1.00 0.00 O ATOM 799 CB ALA A 50 -8.164 5.571 7.935 1.00 0.00 C ATOM 0 H ALA A 50 -10.329 6.575 7.323 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.310 5.511 9.740 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.238 5.255 8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.670 4.702 7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.937 6.279 7.138 1.00 0.00 H new ATOM 805 N ARG A 51 -8.307 8.539 8.919 1.00 0.00 N ATOM 806 CA ARG A 51 -7.651 9.735 9.437 1.00 0.00 C ATOM 807 C ARG A 51 -8.289 10.179 10.749 1.00 0.00 C ATOM 808 O ARG A 51 -7.594 10.546 11.696 1.00 0.00 O ATOM 809 CB ARG A 51 -7.723 10.866 8.409 1.00 0.00 C ATOM 810 CG ARG A 51 -6.427 11.073 7.640 1.00 0.00 C ATOM 811 CD ARG A 51 -5.996 12.531 7.651 1.00 0.00 C ATOM 812 NE ARG A 51 -7.024 13.410 7.099 1.00 0.00 N ATOM 813 CZ ARG A 51 -7.026 14.733 7.244 1.00 0.00 C ATOM 814 NH1 ARG A 51 -6.056 15.334 7.923 1.00 0.00 N ATOM 815 NH2 ARG A 51 -7.999 15.458 6.709 1.00 0.00 N ATOM 0 H ARG A 51 -8.719 8.651 7.992 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.605 9.494 9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.525 10.653 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.985 11.793 8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.641 10.457 8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.557 10.739 6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.770 12.835 8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.077 12.642 7.075 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.786 12.984 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.305 14.781 8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.062 16.348 8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.746 15.002 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.000 16.472 6.821 1.00 0.00 H new ATOM 829 N VAL A 52 -9.617 10.138 10.800 1.00 0.00 N ATOM 830 CA VAL A 52 -10.348 10.535 11.997 1.00 0.00 C ATOM 831 C VAL A 52 -9.922 9.699 13.199 1.00 0.00 C ATOM 832 O VAL A 52 -9.795 10.212 14.312 1.00 0.00 O ATOM 833 CB VAL A 52 -11.870 10.393 11.798 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.621 10.890 13.025 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.318 11.141 10.551 1.00 0.00 C ATOM 0 H VAL A 52 -10.208 9.834 10.026 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.111 11.583 12.183 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.102 9.336 11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.694 10.781 12.864 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.323 10.305 13.895 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.385 11.940 13.196 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.395 11.029 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.072 12.198 10.653 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.808 10.732 9.679 1.00 0.00 H new ATOM 845 N ALA A 53 -9.701 8.409 12.968 1.00 0.00 N ATOM 846 CA ALA A 53 -9.288 7.501 14.031 1.00 0.00 C ATOM 847 C ALA A 53 -7.853 7.782 14.462 1.00 0.00 C ATOM 848 O ALA A 53 -7.521 7.695 15.645 1.00 0.00 O ATOM 849 CB ALA A 53 -9.432 6.058 13.573 1.00 0.00 C ATOM 0 H ALA A 53 -9.801 7.969 12.053 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.937 7.664 14.892 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.121 5.389 14.375 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.473 5.859 13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.806 5.890 12.697 1.00 0.00 H new ATOM 855 N MET A 54 -7.006 8.118 13.496 1.00 0.00 N ATOM 856 CA MET A 54 -5.605 8.410 13.772 1.00 0.00 C ATOM 857 C MET A 54 -5.457 9.739 14.506 1.00 0.00 C ATOM 858 O MET A 54 -4.710 9.841 15.479 1.00 0.00 O ATOM 859 CB MET A 54 -4.806 8.442 12.469 1.00 0.00 C ATOM 860 CG MET A 54 -4.765 7.104 11.750 1.00 0.00 C ATOM 861 SD MET A 54 -3.395 6.983 10.585 1.00 0.00 S ATOM 862 CE MET A 54 -4.083 7.833 9.168 1.00 0.00 C ATOM 0 H MET A 54 -7.266 8.195 12.513 1.00 0.00 H new ATOM 0 HA MET A 54 -5.215 7.619 14.413 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.240 9.189 11.805 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.786 8.761 12.685 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.683 6.303 12.485 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.704 6.953 11.217 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.279 8.294 8.594 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.615 7.119 8.539 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.775 8.604 9.507 1.00 0.00 H new ATOM 872 N VAL A 55 -6.173 10.755 14.035 1.00 0.00 N ATOM 873 CA VAL A 55 -6.119 12.077 14.647 1.00 0.00 C ATOM 874 C VAL A 55 -6.490 12.013 16.126 1.00 0.00 C ATOM 875 O VAL A 55 -5.917 12.724 16.951 1.00 0.00 O ATOM 876 CB VAL A 55 -7.064 13.066 13.935 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.908 14.465 14.511 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.806 13.067 12.436 1.00 0.00 C ATOM 0 H VAL A 55 -6.797 10.688 13.231 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.093 12.430 14.546 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.091 12.742 14.103 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.583 15.148 13.995 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.149 14.450 15.574 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.880 14.801 14.377 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.482 13.771 11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.775 13.364 12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.976 12.067 12.037 1.00 0.00 H new ATOM 888 N ARG A 56 -7.453 11.158 16.450 1.00 0.00 N ATOM 889 CA ARG A 56 -7.903 10.999 17.827 1.00 0.00 C ATOM 890 C ARG A 56 -6.890 10.208 18.648 1.00 0.00 C ATOM 891 O ARG A 56 -6.774 10.398 19.859 1.00 0.00 O ATOM 892 CB ARG A 56 -9.262 10.299 17.861 1.00 0.00 C ATOM 893 CG ARG A 56 -10.439 11.244 17.685 1.00 0.00 C ATOM 894 CD ARG A 56 -11.667 10.517 17.161 1.00 0.00 C ATOM 895 NE ARG A 56 -12.858 10.813 17.953 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.955 10.060 17.954 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.018 8.965 17.204 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.992 10.400 18.707 1.00 0.00 N ATOM 0 H ARG A 56 -7.937 10.564 15.777 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.999 11.992 18.267 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.292 9.545 17.075 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.367 9.774 18.811 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.674 11.715 18.639 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.166 12.042 16.995 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.842 10.802 16.123 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.484 9.443 17.170 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.848 11.647 18.540 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.223 8.698 16.624 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.861 8.391 17.209 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.949 11.239 19.286 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.833 9.823 18.708 1.00 0.00 H new ATOM 912 N HIS A 57 -6.160 9.317 17.983 1.00 0.00 N ATOM 913 CA HIS A 57 -5.161 8.493 18.655 1.00 0.00 C ATOM 914 C HIS A 57 -4.038 9.348 19.235 1.00 0.00 C ATOM 915 O HIS A 57 -3.661 9.187 20.395 1.00 0.00 O ATOM 916 CB HIS A 57 -4.583 7.462 17.684 1.00 0.00 C ATOM 917 CG HIS A 57 -4.009 6.259 18.367 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.788 5.275 18.940 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.724 5.885 18.572 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.007 4.351 19.468 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.751 4.696 19.259 1.00 0.00 N ATOM 0 H HIS A 57 -6.242 9.148 16.980 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.654 7.974 19.477 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.366 7.142 16.997 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.806 7.935 17.083 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.808 5.263 18.954 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.842 6.422 18.255 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.340 3.463 19.984 1.00 0.00 H new ATOM 930 N PHE A 58 -3.504 10.255 18.421 1.00 0.00 N ATOM 931 CA PHE A 58 -2.421 11.132 18.859 1.00 0.00 C ATOM 932 C PHE A 58 -2.778 11.831 20.169 1.00 0.00 C ATOM 933 O PHE A 58 -3.551 12.790 20.183 1.00 0.00 O ATOM 934 CB PHE A 58 -2.109 12.174 17.783 1.00 0.00 C ATOM 935 CG PHE A 58 -1.897 11.584 16.417 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.933 10.610 16.208 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.662 12.005 15.342 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.737 10.068 14.952 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.471 11.467 14.084 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.508 10.497 13.888 1.00 0.00 C ATOM 0 H PHE A 58 -3.802 10.402 17.457 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.538 10.515 19.025 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.928 12.892 17.736 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.216 12.727 18.073 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.328 10.271 17.036 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.417 12.763 15.489 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.018 9.310 14.802 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.074 11.805 13.254 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.358 10.074 12.906 1.00 0.00 H new ATOM 950 N ARG A 59 -2.210 11.344 21.268 1.00 0.00 N ATOM 951 CA ARG A 59 -2.467 11.919 22.583 1.00 0.00 C ATOM 952 C ARG A 59 -2.079 13.394 22.619 1.00 0.00 C ATOM 953 O ARG A 59 -2.710 14.196 23.308 1.00 0.00 O ATOM 954 CB ARG A 59 -1.698 11.151 23.659 1.00 0.00 C ATOM 955 CG ARG A 59 -2.153 9.708 23.818 1.00 0.00 C ATOM 956 CD ARG A 59 -1.006 8.732 23.610 1.00 0.00 C ATOM 957 NE ARG A 59 -1.343 7.386 24.069 1.00 0.00 N ATOM 958 CZ ARG A 59 -2.153 6.560 23.411 1.00 0.00 C ATOM 959 NH1 ARG A 59 -2.714 6.938 22.269 1.00 0.00 N ATOM 960 NH2 ARG A 59 -2.405 5.352 23.898 1.00 0.00 N ATOM 0 H ARG A 59 -1.568 10.551 21.273 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.535 11.839 22.783 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.636 11.164 23.414 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.811 11.666 24.613 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.575 9.567 24.813 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.947 9.495 23.102 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.745 8.700 22.552 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.126 9.088 24.145 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.934 7.061 24.945 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.525 7.866 21.891 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.334 6.300 21.770 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.978 5.057 24.776 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.026 4.718 23.394 1.00 0.00 H new ATOM 974 N ARG A 60 -1.037 13.744 21.874 1.00 0.00 N ATOM 975 CA ARG A 60 -0.565 15.123 21.820 1.00 0.00 C ATOM 976 C ARG A 60 -0.870 15.750 20.464 1.00 0.00 C ATOM 977 O ARG A 60 -0.112 16.585 19.970 1.00 0.00 O ATOM 978 CB ARG A 60 0.939 15.180 22.096 1.00 0.00 C ATOM 979 CG ARG A 60 1.315 14.739 23.501 1.00 0.00 C ATOM 980 CD ARG A 60 1.293 15.905 24.476 1.00 0.00 C ATOM 981 NE ARG A 60 2.591 16.570 24.565 1.00 0.00 N ATOM 982 CZ ARG A 60 2.948 17.369 25.567 1.00 0.00 C ATOM 983 NH1 ARG A 60 2.108 17.606 26.568 1.00 0.00 N ATOM 984 NH2 ARG A 60 4.149 17.933 25.569 1.00 0.00 N ATOM 0 H ARG A 60 -0.503 13.092 21.299 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.090 15.691 22.588 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.457 14.548 21.375 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.291 16.199 21.937 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.623 13.968 23.839 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.309 14.292 23.489 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.538 16.625 24.162 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.001 15.546 25.463 1.00 0.00 H new ATOM 0 HE ARG A 60 3.263 16.412 23.814 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.184 17.175 26.571 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.387 18.219 27.334 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.798 17.754 24.803 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.423 18.546 26.337 1.00 0.00 H new ATOM 998 N GLY A 61 -1.986 15.341 19.867 1.00 0.00 N ATOM 999 CA GLY A 61 -2.371 15.872 18.573 1.00 0.00 C ATOM 1000 C GLY A 61 -1.355 15.557 17.493 1.00 0.00 C ATOM 1001 O GLY A 61 -0.218 15.193 17.790 1.00 0.00 O ATOM 0 H GLY A 61 -2.629 14.652 20.257 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.339 15.461 18.288 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.494 16.952 18.649 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.765 15.699 16.237 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.868 15.423 15.131 1.00 0.00 C ATOM 1007 C GLY A 62 -1.537 15.588 13.782 1.00 0.00 C ATOM 1008 O GLY A 62 -2.753 15.434 13.661 1.00 0.00 O ATOM 0 H GLY A 62 -2.701 16.000 15.966 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.008 16.091 15.190 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.488 14.405 15.222 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.743 15.905 12.766 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.261 16.094 11.418 1.00 0.00 C ATOM 1014 C LYS A 63 -0.866 14.931 10.514 1.00 0.00 C ATOM 1015 O LYS A 63 0.270 14.457 10.558 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.742 17.407 10.832 1.00 0.00 C ATOM 1017 CG LYS A 63 0.746 17.625 11.056 1.00 0.00 C ATOM 1018 CD LYS A 63 1.004 18.711 12.088 1.00 0.00 C ATOM 1019 CE LYS A 63 1.120 20.080 11.438 1.00 0.00 C ATOM 1020 NZ LYS A 63 -0.152 20.848 11.529 1.00 0.00 N ATOM 0 H LYS A 63 0.265 16.037 12.852 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.349 16.132 11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.946 17.424 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.293 18.236 11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.205 16.693 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.220 17.898 10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.194 18.721 12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.921 18.487 12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.919 20.644 11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.399 19.962 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.016 21.794 11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.898 20.348 11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.432 20.939 12.526 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.808 14.478 9.693 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.552 13.372 8.776 1.00 0.00 C ATOM 1036 C ILE A 64 -1.610 13.838 7.327 1.00 0.00 C ATOM 1037 O ILE A 64 -2.578 14.472 6.906 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.563 12.219 8.961 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.970 12.078 10.430 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.972 10.916 8.441 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.942 10.945 10.679 1.00 0.00 C ATOM 0 H ILE A 64 -2.753 14.858 9.643 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.552 13.006 9.010 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.459 12.452 8.386 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.076 11.919 11.033 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.419 13.013 10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.693 10.110 8.576 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.738 11.020 7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.061 10.684 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.187 10.903 11.740 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.852 11.113 10.103 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.488 10.002 10.374 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.573 13.512 6.564 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.511 13.891 5.158 1.00 0.00 C ATOM 1055 C PHE A 65 -0.941 12.726 4.272 1.00 0.00 C ATOM 1056 O PHE A 65 -0.281 11.687 4.232 1.00 0.00 O ATOM 1057 CB PHE A 65 0.904 14.341 4.788 1.00 0.00 C ATOM 1058 CG PHE A 65 1.417 15.470 5.635 1.00 0.00 C ATOM 1059 CD1 PHE A 65 1.783 15.252 6.954 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.532 16.748 5.113 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.256 16.290 7.735 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.004 17.789 5.890 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.366 17.559 7.203 1.00 0.00 C ATOM 0 H PHE A 65 0.236 12.986 6.895 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.196 14.723 4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.582 13.492 4.880 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.917 14.648 3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.698 14.261 7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.250 16.933 4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.539 16.108 8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.090 18.781 5.471 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.735 18.371 7.813 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.055 12.902 3.570 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.572 11.858 2.692 1.00 0.00 C ATOM 1075 C ILE A 66 -2.230 12.146 1.234 1.00 0.00 C ATOM 1076 O ILE A 66 -2.496 13.235 0.726 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.103 11.707 2.826 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.549 11.964 4.268 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.537 10.321 2.373 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.921 11.021 5.270 1.00 0.00 C ATOM 0 H ILE A 66 -2.616 13.754 3.591 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.096 10.927 3.001 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.580 12.449 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.299 12.990 4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.634 11.874 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.618 10.228 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.255 10.174 1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.049 9.567 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.281 11.260 6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.192 9.994 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.837 11.128 5.240 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.636 11.162 0.566 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.256 11.311 -0.835 1.00 0.00 C ATOM 1094 C ARG A 67 -2.069 10.378 -1.730 1.00 0.00 C ATOM 1095 O ARG A 67 -1.656 10.059 -2.845 1.00 0.00 O ATOM 1096 CB ARG A 67 0.238 11.030 -1.012 1.00 0.00 C ATOM 1097 CG ARG A 67 0.834 11.675 -2.253 1.00 0.00 C ATOM 1098 CD ARG A 67 1.464 13.021 -1.932 1.00 0.00 C ATOM 1099 NE ARG A 67 2.658 13.272 -2.736 1.00 0.00 N ATOM 1100 CZ ARG A 67 3.192 14.478 -2.915 1.00 0.00 C ATOM 1101 NH1 ARG A 67 2.639 15.546 -2.352 1.00 0.00 N ATOM 1102 NH2 ARG A 67 4.279 14.618 -3.660 1.00 0.00 N ATOM 0 H ARG A 67 -1.408 10.254 0.971 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.466 12.339 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.774 11.389 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.393 9.952 -1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.586 11.013 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.057 11.806 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.736 13.813 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.725 13.056 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 67 3.109 12.476 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.801 15.444 -1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.052 16.468 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.707 13.801 -4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.688 15.542 -3.797 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.229 9.946 -1.240 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.094 9.054 -2.004 1.00 0.00 C ATOM 1118 C ILE A 68 -5.473 9.673 -2.208 1.00 0.00 C ATOM 1119 O ILE A 68 -6.082 10.180 -1.267 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.246 7.681 -1.316 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.004 7.820 0.008 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -2.882 7.051 -1.085 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.209 6.504 0.727 1.00 0.00 C ATOM 0 H ILE A 68 -3.590 10.199 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.619 8.906 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.823 7.030 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.457 8.500 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.976 8.275 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.006 6.083 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.377 6.915 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.283 7.703 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.752 6.678 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.782 5.828 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.240 6.057 0.951 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.960 9.627 -3.443 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.268 10.182 -3.768 1.00 0.00 C ATOM 1137 C PHE A 69 -8.046 9.236 -4.683 1.00 0.00 C ATOM 1138 O PHE A 69 -7.490 8.695 -5.639 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.112 11.550 -4.436 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.772 12.665 -3.678 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -9.136 12.884 -3.790 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -7.029 13.493 -2.853 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -9.746 13.910 -3.094 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -7.634 14.520 -2.153 1.00 0.00 C ATOM 1145 CZ PHE A 69 -8.995 14.729 -2.274 1.00 0.00 C ATOM 0 H PHE A 69 -5.469 9.211 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.828 10.303 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.051 11.774 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.533 11.505 -5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.729 12.246 -4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.965 13.334 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.809 14.071 -3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.044 15.158 -1.512 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.470 15.531 -1.728 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.345 9.022 -4.405 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.185 8.135 -5.215 1.00 0.00 C ATOM 1157 C PRO A 70 -10.324 8.630 -6.650 1.00 0.00 C ATOM 1158 O PRO A 70 -11.056 9.584 -6.920 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.546 8.164 -4.505 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.268 8.696 -3.141 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.096 9.620 -3.290 1.00 0.00 C ATOM 0 HA PRO A 70 -9.759 7.135 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.254 8.799 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.985 7.168 -4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.134 9.225 -2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.042 7.888 -2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.411 10.639 -3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.499 9.665 -2.379 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.304 4.686 -5.749 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.239 4.158 -4.905 1.00 0.00 C ATOM 1541 C VAL A 94 -9.866 4.503 -5.469 1.00 0.00 C ATOM 1542 O VAL A 94 -9.748 4.986 -6.595 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.340 2.627 -4.754 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.379 2.256 -3.708 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.661 1.976 -6.091 1.00 0.00 C ATOM 0 HA VAL A 94 -11.360 4.623 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.373 2.253 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.433 1.171 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.097 2.686 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.352 2.644 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.728 0.896 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.612 2.357 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.873 2.208 -6.807 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.830 4.242 -4.680 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.462 4.515 -5.096 1.00 0.00 C ATOM 1557 C ALA A 95 -6.642 3.230 -5.119 1.00 0.00 C ATOM 1558 O ALA A 95 -6.223 2.731 -4.075 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.821 5.539 -4.173 1.00 0.00 C ATOM 0 H ALA A 95 -8.913 3.840 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.485 4.925 -6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.799 5.732 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.393 6.466 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.811 5.154 -3.153 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.424 2.694 -6.315 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.661 1.460 -6.470 1.00 0.00 C ATOM 1567 C VAL A 96 -4.264 1.598 -5.877 1.00 0.00 C ATOM 1568 O VAL A 96 -3.556 2.570 -6.142 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.540 1.040 -7.948 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.102 -0.412 -8.049 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.857 1.257 -8.680 1.00 0.00 C ATOM 0 H VAL A 96 -6.764 3.093 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.210 0.688 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.783 1.664 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.021 -0.695 -9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.134 -0.535 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.837 -1.049 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.749 0.954 -9.721 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.638 0.661 -8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.129 2.312 -8.635 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.876 0.618 -5.068 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.567 0.624 -4.429 1.00 0.00 C ATOM 1583 C VAL A 97 -1.812 -0.673 -4.700 1.00 0.00 C ATOM 1584 O VAL A 97 -2.412 -1.693 -5.038 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.695 0.821 -2.908 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.325 0.984 -2.271 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.581 2.017 -2.596 1.00 0.00 C ATOM 0 H VAL A 97 -4.452 -0.192 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.009 1.457 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.162 -0.068 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.438 1.122 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.727 0.093 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.826 1.854 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.659 2.140 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.146 2.916 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.574 1.854 -3.015 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.493 -0.625 -4.544 1.00 0.00 N ATOM 1598 CA LYS A 98 0.350 -1.797 -4.764 1.00 0.00 C ATOM 1599 C LYS A 98 1.302 -2.001 -3.587 1.00 0.00 C ATOM 1600 O LYS A 98 1.558 -1.073 -2.819 1.00 0.00 O ATOM 1601 CB LYS A 98 1.144 -1.646 -6.065 1.00 0.00 C ATOM 1602 CG LYS A 98 0.833 -2.719 -7.095 1.00 0.00 C ATOM 1603 CD LYS A 98 1.948 -2.850 -8.119 1.00 0.00 C ATOM 1604 CE LYS A 98 1.428 -3.374 -9.448 1.00 0.00 C ATOM 1605 NZ LYS A 98 2.358 -4.365 -10.057 1.00 0.00 N ATOM 0 H LYS A 98 0.017 0.214 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.294 -2.673 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.935 -0.668 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.209 -1.672 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.685 -3.675 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.101 -2.478 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.420 -1.879 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.716 -3.523 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.452 -3.836 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.285 -2.541 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.967 -4.698 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.282 -3.918 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.475 -5.173 -9.412 1.00 0.00 H new ATOM 1619 N PRO A 99 1.845 -3.220 -3.427 1.00 0.00 N ATOM 1620 CA PRO A 99 2.773 -3.530 -2.334 1.00 0.00 C ATOM 1621 C PRO A 99 3.953 -2.567 -2.300 1.00 0.00 C ATOM 1622 O PRO A 99 4.710 -2.462 -3.265 1.00 0.00 O ATOM 1623 CB PRO A 99 3.243 -4.951 -2.649 1.00 0.00 C ATOM 1624 CG PRO A 99 2.166 -5.531 -3.500 1.00 0.00 C ATOM 1625 CD PRO A 99 1.600 -4.386 -4.294 1.00 0.00 C ATOM 0 HA PRO A 99 2.300 -3.440 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.199 -4.944 -3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.382 -5.532 -1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.563 -6.303 -4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.395 -5.999 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.096 -4.281 -5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.537 -4.522 -4.495 1.00 0.00 H new ATOM 1633 N GLY A 100 4.099 -1.861 -1.185 1.00 0.00 N ATOM 1634 CA GLY A 100 5.182 -0.908 -1.048 1.00 0.00 C ATOM 1635 C GLY A 100 4.753 0.499 -1.413 1.00 0.00 C ATOM 1636 O GLY A 100 5.547 1.283 -1.931 1.00 0.00 O ATOM 0 H GLY A 100 3.486 -1.932 -0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.547 -0.920 -0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.013 -1.210 -1.686 1.00 0.00 H new ATOM 1640 N ARG A 101 3.487 0.816 -1.149 1.00 0.00 N ATOM 1641 CA ARG A 101 2.948 2.137 -1.465 1.00 0.00 C ATOM 1642 C ARG A 101 2.669 2.945 -0.202 1.00 0.00 C ATOM 1643 O ARG A 101 1.965 2.485 0.695 1.00 0.00 O ATOM 1644 CB ARG A 101 1.658 2.005 -2.267 1.00 0.00 C ATOM 1645 CG ARG A 101 1.353 3.215 -3.133 1.00 0.00 C ATOM 1646 CD ARG A 101 2.141 3.181 -4.431 1.00 0.00 C ATOM 1647 NE ARG A 101 1.702 4.213 -5.366 1.00 0.00 N ATOM 1648 CZ ARG A 101 0.586 4.132 -6.089 1.00 0.00 C ATOM 1649 NH1 ARG A 101 -0.202 3.069 -5.988 1.00 0.00 N ATOM 1650 NH2 ARG A 101 0.258 5.117 -6.914 1.00 0.00 N ATOM 0 H ARG A 101 2.817 0.178 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 101 3.700 2.662 -2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.724 1.122 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.828 1.842 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.286 3.246 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.592 4.126 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.201 3.315 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.032 2.201 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 101 2.284 5.044 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.046 2.309 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.055 3.012 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.860 5.936 -6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.596 5.055 -7.468 1.00 0.00 H new ATOM 1664 N VAL A 102 3.208 4.160 -0.150 1.00 0.00 N ATOM 1665 CA VAL A 102 2.998 5.039 0.993 1.00 0.00 C ATOM 1666 C VAL A 102 1.662 5.766 0.870 1.00 0.00 C ATOM 1667 O VAL A 102 1.537 6.731 0.117 1.00 0.00 O ATOM 1668 CB VAL A 102 4.128 6.078 1.121 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.970 6.888 2.399 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.490 5.398 1.077 1.00 0.00 C ATOM 0 H VAL A 102 3.793 4.557 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 102 2.996 4.414 1.886 1.00 0.00 H new ATOM 0 HB VAL A 102 4.062 6.762 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.778 7.616 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.013 7.409 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.006 6.220 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.275 6.149 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.569 4.688 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.602 4.870 0.130 1.00 0.00 H new ATOM 1680 N MET A 103 0.663 5.288 1.605 1.00 0.00 N ATOM 1681 CA MET A 103 -0.669 5.884 1.567 1.00 0.00 C ATOM 1682 C MET A 103 -0.818 6.979 2.619 1.00 0.00 C ATOM 1683 O MET A 103 -1.526 7.964 2.406 1.00 0.00 O ATOM 1684 CB MET A 103 -1.738 4.811 1.783 1.00 0.00 C ATOM 1685 CG MET A 103 -1.466 3.514 1.038 1.00 0.00 C ATOM 1686 SD MET A 103 -0.616 2.294 2.058 1.00 0.00 S ATOM 1687 CE MET A 103 -2.002 1.511 2.880 1.00 0.00 C ATOM 0 H MET A 103 0.750 4.490 2.234 1.00 0.00 H new ATOM 0 HA MET A 103 -0.802 6.334 0.583 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.815 4.597 2.849 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.704 5.205 1.467 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.410 3.096 0.688 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.864 3.726 0.154 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.638 0.707 3.521 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.529 2.248 3.486 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.683 1.101 2.134 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.160 6.797 3.758 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.233 7.767 4.844 1.00 0.00 C ATOM 1699 C PHE A 104 1.157 8.149 5.342 1.00 0.00 C ATOM 1700 O PHE A 104 2.131 7.436 5.105 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.057 7.200 5.999 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.533 7.163 5.725 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.077 6.175 4.920 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.378 8.114 6.276 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.434 6.136 4.668 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.737 8.080 6.029 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.266 7.090 5.224 1.00 0.00 C ATOM 0 H PHE A 104 0.429 5.988 3.953 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.715 8.665 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.712 6.190 6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -0.877 7.800 6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.432 5.426 4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.969 8.890 6.906 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.845 5.361 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.385 8.826 6.465 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.328 7.061 5.029 1.00 0.00 H new ATOM 1717 N GLU A 105 1.234 9.279 6.037 1.00 0.00 N ATOM 1718 CA GLU A 105 2.497 9.765 6.581 1.00 0.00 C ATOM 1719 C GLU A 105 2.246 10.866 7.606 1.00 0.00 C ATOM 1720 O GLU A 105 1.738 11.937 7.270 1.00 0.00 O ATOM 1721 CB GLU A 105 3.398 10.287 5.460 1.00 0.00 C ATOM 1722 CG GLU A 105 2.716 11.301 4.557 1.00 0.00 C ATOM 1723 CD GLU A 105 2.463 10.764 3.161 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.339 9.531 3.012 1.00 0.00 O ATOM 1725 OE2 GLU A 105 2.388 11.579 2.217 1.00 0.00 O ATOM 0 H GLU A 105 0.433 9.878 6.237 1.00 0.00 H new ATOM 0 HA GLU A 105 3.000 8.934 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.285 10.743 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.738 9.446 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.768 11.600 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.334 12.196 4.491 1.00 0.00 H new ATOM 1732 N VAL A 106 2.594 10.595 8.860 1.00 0.00 N ATOM 1733 CA VAL A 106 2.395 11.563 9.934 1.00 0.00 C ATOM 1734 C VAL A 106 3.699 12.253 10.317 1.00 0.00 C ATOM 1735 O VAL A 106 4.786 11.776 9.993 1.00 0.00 O ATOM 1736 CB VAL A 106 1.796 10.896 11.187 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.418 10.330 10.881 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.722 9.807 11.712 1.00 0.00 C ATOM 0 H VAL A 106 3.015 9.715 9.158 1.00 0.00 H new ATOM 0 HA VAL A 106 1.697 12.308 9.553 1.00 0.00 H new ATOM 0 HB VAL A 106 1.691 11.654 11.963 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.010 9.863 11.777 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.242 11.135 10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.498 9.586 10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.280 9.349 12.597 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.864 9.048 10.943 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.686 10.244 11.973 1.00 0.00 H new ATOM 1748 N ALA A 107 3.579 13.379 11.014 1.00 0.00 N ATOM 1749 CA ALA A 107 4.744 14.138 11.449 1.00 0.00 C ATOM 1750 C ALA A 107 4.433 14.950 12.702 1.00 0.00 C ATOM 1751 O ALA A 107 3.342 15.502 12.840 1.00 0.00 O ATOM 1752 CB ALA A 107 5.228 15.052 10.332 1.00 0.00 C ATOM 0 H ALA A 107 2.685 13.785 11.289 1.00 0.00 H new ATOM 0 HA ALA A 107 5.537 13.431 11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.099 15.612 10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.499 14.452 9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.433 15.746 10.060 1.00 0.00 H new ATOM 1758 N GLY A 108 5.398 15.017 13.612 1.00 0.00 N ATOM 1759 CA GLY A 108 5.207 15.763 14.841 1.00 0.00 C ATOM 1760 C GLY A 108 4.882 14.868 16.021 1.00 0.00 C ATOM 1761 O GLY A 108 5.342 15.109 17.137 1.00 0.00 O ATOM 0 H GLY A 108 6.309 14.568 13.520 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.110 16.333 15.060 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.401 16.483 14.703 1.00 0.00 H new ATOM 1765 N VAL A 109 4.088 13.831 15.775 1.00 0.00 N ATOM 1766 CA VAL A 109 3.703 12.898 16.828 1.00 0.00 C ATOM 1767 C VAL A 109 4.835 11.927 17.144 1.00 0.00 C ATOM 1768 O VAL A 109 5.756 11.751 16.348 1.00 0.00 O ATOM 1769 CB VAL A 109 2.447 12.095 16.440 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.246 13.017 16.289 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.689 11.306 15.160 1.00 0.00 C ATOM 0 H VAL A 109 3.699 13.616 14.857 1.00 0.00 H new ATOM 0 HA VAL A 109 3.483 13.496 17.712 1.00 0.00 H new ATOM 0 HB VAL A 109 2.232 11.387 17.240 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.369 12.430 16.015 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.059 13.529 17.233 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.448 13.753 15.511 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.790 10.746 14.903 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.933 11.993 14.350 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.518 10.614 15.310 1.00 0.00 H new ATOM 1781 N THR A 110 4.756 11.298 18.312 1.00 0.00 N ATOM 1782 CA THR A 110 5.773 10.342 18.734 1.00 0.00 C ATOM 1783 C THR A 110 5.697 9.065 17.905 1.00 0.00 C ATOM 1784 O THR A 110 4.829 8.924 17.042 1.00 0.00 O ATOM 1785 CB THR A 110 5.607 10.010 20.218 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.502 9.148 20.418 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.398 11.233 21.085 1.00 0.00 C ATOM 0 H THR A 110 3.999 11.433 18.982 1.00 0.00 H new ATOM 0 HA THR A 110 6.751 10.798 18.578 1.00 0.00 H new ATOM 0 HB THR A 110 6.540 9.531 20.513 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.413 8.946 21.373 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.287 10.927 22.125 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.258 11.897 20.991 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.498 11.757 20.764 1.00 0.00 H new ATOM 1795 N GLU A 111 6.610 8.136 18.169 1.00 0.00 N ATOM 1796 CA GLU A 111 6.645 6.871 17.447 1.00 0.00 C ATOM 1797 C GLU A 111 5.492 5.968 17.873 1.00 0.00 C ATOM 1798 O GLU A 111 4.932 5.233 17.059 1.00 0.00 O ATOM 1799 CB GLU A 111 7.979 6.162 17.686 1.00 0.00 C ATOM 1800 CG GLU A 111 8.112 4.846 16.937 1.00 0.00 C ATOM 1801 CD GLU A 111 9.557 4.425 16.751 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.447 5.295 16.853 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.799 3.225 16.505 1.00 0.00 O ATOM 0 H GLU A 111 7.336 8.236 18.879 1.00 0.00 H new ATOM 0 HA GLU A 111 6.540 7.085 16.383 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.791 6.824 17.387 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.096 5.976 18.754 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.577 4.067 17.481 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.636 4.938 15.961 1.00 0.00 H new ATOM 1810 N GLU A 112 5.142 6.028 19.154 1.00 0.00 N ATOM 1811 CA GLU A 112 4.055 5.215 19.688 1.00 0.00 C ATOM 1812 C GLU A 112 2.713 5.649 19.107 1.00 0.00 C ATOM 1813 O GLU A 112 1.897 4.817 18.715 1.00 0.00 O ATOM 1814 CB GLU A 112 4.024 5.310 21.216 1.00 0.00 C ATOM 1815 CG GLU A 112 4.141 3.964 21.910 1.00 0.00 C ATOM 1816 CD GLU A 112 4.420 4.097 23.395 1.00 0.00 C ATOM 1817 OE1 GLU A 112 3.555 4.637 24.115 1.00 0.00 O ATOM 1818 OE2 GLU A 112 5.504 3.660 23.836 1.00 0.00 O ATOM 0 H GLU A 112 5.595 6.631 19.841 1.00 0.00 H new ATOM 0 HA GLU A 112 4.232 4.179 19.400 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.839 5.953 21.549 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.094 5.789 21.523 1.00 0.00 H new ATOM 0 HG2 GLU A 112 3.217 3.403 21.766 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.940 3.387 21.444 1.00 0.00 H new ATOM 1825 N GLN A 113 2.491 6.959 19.056 1.00 0.00 N ATOM 1826 CA GLN A 113 1.248 7.502 18.522 1.00 0.00 C ATOM 1827 C GLN A 113 1.226 7.411 17.000 1.00 0.00 C ATOM 1828 O GLN A 113 0.192 7.124 16.398 1.00 0.00 O ATOM 1829 CB GLN A 113 1.074 8.958 18.959 1.00 0.00 C ATOM 1830 CG GLN A 113 1.310 9.182 20.444 1.00 0.00 C ATOM 1831 CD GLN A 113 1.476 10.647 20.793 1.00 0.00 C ATOM 1832 OE1 GLN A 113 1.239 11.525 19.963 1.00 0.00 O ATOM 1833 NE2 GLN A 113 1.884 10.920 22.026 1.00 0.00 N ATOM 0 H GLN A 113 3.155 7.663 19.378 1.00 0.00 H new ATOM 0 HA GLN A 113 0.422 6.910 18.917 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.764 9.583 18.392 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.066 9.286 18.707 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.472 8.771 21.007 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.201 8.635 20.753 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.069 10.161 22.682 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.013 11.889 22.318 1.00 0.00 H new ATOM 1842 N ALA A 114 2.377 7.660 16.386 1.00 0.00 N ATOM 1843 CA ALA A 114 2.499 7.610 14.934 1.00 0.00 C ATOM 1844 C ALA A 114 2.386 6.180 14.417 1.00 0.00 C ATOM 1845 O ALA A 114 1.645 5.909 13.472 1.00 0.00 O ATOM 1846 CB ALA A 114 3.820 8.225 14.503 1.00 0.00 C ATOM 0 H ALA A 114 3.241 7.899 16.873 1.00 0.00 H new ATOM 0 HA ALA A 114 1.679 8.185 14.504 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.903 8.184 13.417 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.862 9.264 14.831 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.644 7.669 14.951 1.00 0.00 H new ATOM 1852 N MET A 115 3.126 5.270 15.040 1.00 0.00 N ATOM 1853 CA MET A 115 3.108 3.867 14.641 1.00 0.00 C ATOM 1854 C MET A 115 1.723 3.263 14.846 1.00 0.00 C ATOM 1855 O MET A 115 1.159 2.659 13.935 1.00 0.00 O ATOM 1856 CB MET A 115 4.147 3.075 15.436 1.00 0.00 C ATOM 1857 CG MET A 115 5.582 3.433 15.086 1.00 0.00 C ATOM 1858 SD MET A 115 6.442 2.106 14.218 1.00 0.00 S ATOM 1859 CE MET A 115 7.623 3.044 13.251 1.00 0.00 C ATOM 0 H MET A 115 3.746 5.478 15.823 1.00 0.00 H new ATOM 0 HA MET A 115 3.355 3.812 13.581 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.987 3.248 16.500 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.993 2.010 15.259 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.587 4.329 14.466 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.125 3.674 16.000 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.278 2.359 12.712 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.091 3.674 12.538 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.220 3.671 13.914 1.00 0.00 H new ATOM 1869 N GLU A 116 1.181 3.433 16.047 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.140 2.906 16.367 1.00 0.00 C ATOM 1871 C GLU A 116 -1.200 3.528 15.467 1.00 0.00 C ATOM 1872 O GLU A 116 -2.024 2.825 14.883 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.478 3.171 17.833 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.434 2.151 18.430 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.122 1.837 19.880 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -1.605 2.574 20.765 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -0.394 0.852 20.130 1.00 0.00 O ATOM 0 H GLU A 116 1.635 3.930 16.813 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.128 1.829 16.197 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.444 3.177 18.415 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.917 4.164 17.922 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.454 2.528 18.355 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.390 1.232 17.846 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.170 4.852 15.354 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.129 5.568 14.520 1.00 0.00 C ATOM 1886 C ALA A 117 -2.062 5.081 13.078 1.00 0.00 C ATOM 1887 O ALA A 117 -3.085 4.770 12.469 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.871 7.066 14.586 1.00 0.00 C ATOM 0 H ALA A 117 -0.493 5.450 15.828 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.130 5.368 14.901 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.594 7.588 13.959 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.971 7.407 15.616 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.863 7.278 14.230 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.849 5.003 12.542 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.647 4.540 11.175 1.00 0.00 C ATOM 1896 C LEU A 118 -1.178 3.119 11.011 1.00 0.00 C ATOM 1897 O LEU A 118 -1.642 2.736 9.938 1.00 0.00 O ATOM 1898 CB LEU A 118 0.841 4.592 10.810 1.00 0.00 C ATOM 1899 CG LEU A 118 1.316 5.868 10.096 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.422 7.058 10.420 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.759 6.172 10.469 1.00 0.00 C ATOM 0 H LEU A 118 0.009 5.254 13.033 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.197 5.198 10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.423 4.473 11.724 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.069 3.737 10.173 1.00 0.00 H new ATOM 0 HG LEU A 118 1.255 5.692 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.789 7.942 9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.598 6.845 10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.435 7.241 11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.084 7.078 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.833 6.318 11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.395 5.339 10.171 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.114 2.345 12.092 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.594 0.970 12.078 1.00 0.00 C ATOM 1915 C ARG A 119 -3.118 0.936 12.052 1.00 0.00 C ATOM 1916 O ARG A 119 -3.719 0.142 11.329 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.077 0.214 13.303 1.00 0.00 C ATOM 1918 CG ARG A 119 0.296 -0.408 13.102 1.00 0.00 C ATOM 1919 CD ARG A 119 0.914 -0.833 14.424 1.00 0.00 C ATOM 1920 NE ARG A 119 0.754 -2.265 14.668 1.00 0.00 N ATOM 1921 CZ ARG A 119 1.519 -3.202 14.110 1.00 0.00 C ATOM 1922 NH1 ARG A 119 2.495 -2.862 13.277 1.00 0.00 N ATOM 1923 NH2 ARG A 119 1.307 -4.481 14.386 1.00 0.00 N ATOM 0 H ARG A 119 -0.734 2.649 12.988 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.217 0.485 11.178 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.036 0.898 14.151 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.788 -0.571 13.561 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.212 -1.273 12.444 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.952 0.308 12.606 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.975 -0.581 14.426 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.452 -0.273 15.237 1.00 0.00 H new ATOM 0 HE ARG A 119 0.014 -2.564 15.302 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.662 -1.879 13.061 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.078 -3.584 12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.558 -4.747 15.025 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.893 -5.199 13.959 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.737 1.809 12.842 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.191 1.888 12.907 1.00 0.00 C ATOM 1939 C ILE A 120 -5.781 2.116 11.518 1.00 0.00 C ATOM 1940 O ILE A 120 -6.837 1.577 11.184 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.650 3.019 13.852 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.156 2.753 15.275 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.166 3.159 13.835 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.119 3.992 16.144 1.00 0.00 C ATOM 0 H ILE A 120 -3.252 2.472 13.447 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.551 0.937 13.300 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.218 3.956 13.499 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.803 2.010 15.742 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.156 2.321 15.229 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.465 3.962 14.509 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.499 3.391 12.823 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.621 2.224 14.161 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.759 3.728 17.138 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.450 4.728 15.699 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.122 4.413 16.221 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.088 2.913 10.713 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.537 3.208 9.359 1.00 0.00 C ATOM 1958 C ALA A 121 -5.558 1.943 8.509 1.00 0.00 C ATOM 1959 O ALA A 121 -6.528 1.675 7.801 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.641 4.260 8.724 1.00 0.00 C ATOM 0 H ALA A 121 -4.213 3.366 10.975 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.553 3.600 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.988 4.471 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.676 5.174 9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.616 3.890 8.686 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.483 1.167 8.590 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.396 -0.064 7.827 1.00 0.00 C ATOM 1968 C GLY A 122 -5.255 -1.171 8.410 1.00 0.00 C ATOM 1969 O GLY A 122 -5.623 -2.113 7.708 1.00 0.00 O ATOM 0 H GLY A 122 -3.669 1.369 9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.704 0.127 6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.358 -0.394 7.793 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.577 -1.057 9.695 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.398 -2.057 10.369 1.00 0.00 C ATOM 1975 C HIS A 123 -7.747 -2.211 9.673 1.00 0.00 C ATOM 1976 O HIS A 123 -8.294 -3.311 9.595 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.609 -1.670 11.834 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.915 -2.835 12.721 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -6.396 -4.097 12.514 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -7.691 -2.928 13.828 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -6.840 -4.913 13.453 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -7.627 -4.228 14.262 1.00 0.00 N ATOM 0 H HIS A 123 -5.282 -0.283 10.290 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.874 -3.012 10.324 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.714 -1.169 12.202 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.426 -0.951 11.898 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -8.255 -2.128 14.284 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.600 -5.962 13.544 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -8.110 -4.604 15.078 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.276 -1.101 9.166 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.560 -1.115 8.474 1.00 0.00 C ATOM 1993 C LYS A 124 -9.376 -1.217 6.959 1.00 0.00 C ATOM 1994 O LYS A 124 -10.346 -1.143 6.205 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.359 0.144 8.816 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.596 1.436 8.566 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.186 2.104 9.869 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.268 3.041 10.379 1.00 0.00 C ATOM 1999 NZ LYS A 124 -11.562 2.334 10.588 1.00 0.00 N ATOM 0 H LYS A 124 -7.836 -0.182 9.221 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.109 -1.995 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.276 0.154 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.654 0.103 9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.709 1.226 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.216 2.119 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -8.979 1.342 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.262 2.662 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -9.945 3.492 11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.409 3.854 9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.233 2.972 11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.951 2.043 9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -11.407 1.493 11.180 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.131 -1.392 6.519 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.837 -1.505 5.095 1.00 0.00 C ATOM 2015 C LEU A 125 -8.032 -2.941 4.616 1.00 0.00 C ATOM 2016 O LEU A 125 -8.060 -3.873 5.420 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.403 -1.054 4.808 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.192 0.461 4.769 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.750 0.791 4.409 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.152 1.107 3.782 1.00 0.00 C ATOM 0 H LEU A 125 -7.314 -1.458 7.126 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.528 -0.858 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.747 -1.477 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.092 -1.473 3.851 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.397 0.863 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.619 1.873 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.081 0.360 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.516 0.376 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -6.988 2.184 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.978 0.700 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.179 0.900 4.085 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.165 -3.142 3.294 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.354 -4.463 2.706 1.00 0.00 C ATOM 2034 C PRO A 126 -7.030 -5.183 2.455 1.00 0.00 C ATOM 2035 O PRO A 126 -6.996 -6.214 1.784 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.061 -4.167 1.373 1.00 0.00 C ATOM 2037 CG PRO A 126 -9.057 -2.673 1.206 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.145 -2.107 2.261 1.00 0.00 C ATOM 0 HA PRO A 126 -8.918 -5.122 3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.544 -4.651 0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.080 -4.553 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.709 -2.399 0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -10.065 -2.272 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.139 -1.937 1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -8.508 -1.151 2.639 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.942 -4.635 2.991 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.624 -5.231 2.816 1.00 0.00 C ATOM 2048 C ILE A 127 -3.722 -4.945 4.012 1.00 0.00 C ATOM 2049 O ILE A 127 -4.037 -4.099 4.850 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.942 -4.710 1.538 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -3.975 -3.180 1.501 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.622 -5.289 0.307 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -2.935 -2.529 2.386 1.00 0.00 C ATOM 0 H ILE A 127 -5.949 -3.781 3.549 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.774 -6.307 2.731 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.900 -5.030 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.826 -2.847 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.964 -2.839 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.131 -4.913 -0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.552 -6.377 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.671 -4.993 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.018 -1.445 2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.096 -2.832 3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -1.940 -2.840 2.068 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.602 -5.655 4.084 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.653 -5.480 5.174 1.00 0.00 C ATOM 2067 C LYS A 128 -0.846 -4.199 4.991 1.00 0.00 C ATOM 2068 O LYS A 128 -0.580 -3.777 3.866 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.715 -6.684 5.247 1.00 0.00 C ATOM 2070 CG LYS A 128 -1.341 -7.900 5.910 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.529 -8.366 7.108 1.00 0.00 C ATOM 2072 CE LYS A 128 -1.153 -9.587 7.763 1.00 0.00 C ATOM 2073 NZ LYS A 128 -1.793 -9.254 9.064 1.00 0.00 N ATOM 0 H LYS A 128 -2.330 -6.359 3.398 1.00 0.00 H new ATOM 0 HA LYS A 128 -2.211 -5.403 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.401 -6.951 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.183 -6.402 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -2.355 -7.659 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -1.419 -8.710 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.487 -8.601 6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.457 -7.558 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -1.897 -10.018 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -0.387 -10.346 7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -2.206 -10.114 9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -1.079 -8.866 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -2.542 -8.549 8.912 1.00 0.00 H new ATOM 2087 N THR A 129 -0.460 -3.584 6.104 1.00 0.00 N ATOM 2088 CA THR A 129 0.317 -2.350 6.065 1.00 0.00 C ATOM 2089 C THR A 129 1.224 -2.241 7.286 1.00 0.00 C ATOM 2090 O THR A 129 0.869 -2.692 8.376 1.00 0.00 O ATOM 2091 CB THR A 129 -0.616 -1.139 6.002 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.172 -0.868 7.276 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.762 -1.310 5.027 1.00 0.00 C ATOM 0 H THR A 129 -0.672 -3.919 7.044 1.00 0.00 H new ATOM 0 HA THR A 129 0.940 -2.369 5.171 1.00 0.00 H new ATOM 0 HB THR A 129 0.008 -0.314 5.659 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.548 -1.692 7.651 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.383 -0.414 5.034 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.366 -1.469 4.024 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.364 -2.170 5.320 1.00 0.00 H new ATOM 2101 N LYS A 130 2.396 -1.638 7.101 1.00 0.00 N ATOM 2102 CA LYS A 130 3.347 -1.471 8.196 1.00 0.00 C ATOM 2103 C LYS A 130 3.836 -0.027 8.278 1.00 0.00 C ATOM 2104 O LYS A 130 3.680 0.745 7.332 1.00 0.00 O ATOM 2105 CB LYS A 130 4.534 -2.422 8.031 1.00 0.00 C ATOM 2106 CG LYS A 130 5.118 -2.437 6.628 1.00 0.00 C ATOM 2107 CD LYS A 130 6.494 -1.796 6.589 1.00 0.00 C ATOM 2108 CE LYS A 130 7.117 -1.899 5.206 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.570 -2.216 5.273 1.00 0.00 N ATOM 0 H LYS A 130 2.709 -1.259 6.207 1.00 0.00 H new ATOM 0 HA LYS A 130 2.833 -1.714 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.315 -2.139 8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.218 -3.432 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 130 5.185 -3.465 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.450 -1.907 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.417 -0.748 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.143 -2.280 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.603 -2.671 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.975 -0.959 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.957 -2.277 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.065 -1.467 5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.705 -3.126 5.759 1.00 0.00 H new ATOM 2123 N ILE A 131 4.423 0.332 9.416 1.00 0.00 N ATOM 2124 CA ILE A 131 4.930 1.687 9.620 1.00 0.00 C ATOM 2125 C ILE A 131 6.399 1.792 9.227 1.00 0.00 C ATOM 2126 O ILE A 131 7.177 0.862 9.434 1.00 0.00 O ATOM 2127 CB ILE A 131 4.782 2.148 11.087 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.575 1.483 11.756 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.659 3.664 11.153 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.258 1.808 11.090 1.00 0.00 C ATOM 0 H ILE A 131 4.560 -0.294 10.210 1.00 0.00 H new ATOM 0 HA ILE A 131 4.328 2.334 8.982 1.00 0.00 H new ATOM 0 HB ILE A 131 5.676 1.843 11.630 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.718 0.402 11.752 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.531 1.795 12.800 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.555 3.976 12.192 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.551 4.120 10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.782 3.983 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.449 1.303 11.618 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.092 2.885 11.118 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.281 1.471 10.054 1.00 0.00 H new ATOM 2142 N VAL A 132 6.771 2.938 8.668 1.00 0.00 N ATOM 2143 CA VAL A 132 8.147 3.176 8.251 1.00 0.00 C ATOM 2144 C VAL A 132 8.479 4.665 8.309 1.00 0.00 C ATOM 2145 O VAL A 132 7.611 5.511 8.095 1.00 0.00 O ATOM 2146 CB VAL A 132 8.403 2.646 6.827 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.906 1.216 6.696 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.743 3.542 5.789 1.00 0.00 C ATOM 0 H VAL A 132 6.137 3.718 8.493 1.00 0.00 H new ATOM 0 HA VAL A 132 8.793 2.636 8.943 1.00 0.00 H new ATOM 0 HB VAL A 132 9.478 2.656 6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 132 8.094 0.857 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.431 0.582 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.836 1.183 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.938 3.148 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.668 3.571 5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.151 4.550 5.867 1.00 0.00 H new ATOM 2158 N ARG A 133 9.735 4.979 8.601 1.00 0.00 N ATOM 2159 CA ARG A 133 10.168 6.369 8.687 1.00 0.00 C ATOM 2160 C ARG A 133 11.073 6.742 7.523 1.00 0.00 C ATOM 2161 O ARG A 133 12.137 6.152 7.340 1.00 0.00 O ATOM 2162 CB ARG A 133 10.910 6.620 9.995 1.00 0.00 C ATOM 2163 CG ARG A 133 10.549 7.944 10.645 1.00 0.00 C ATOM 2164 CD ARG A 133 10.834 7.926 12.138 1.00 0.00 C ATOM 2165 NE ARG A 133 12.210 8.318 12.435 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.949 7.778 13.404 1.00 0.00 C ATOM 2167 NH1 ARG A 133 12.448 6.831 14.188 1.00 0.00 N ATOM 2168 NH2 ARG A 133 14.195 8.191 13.592 1.00 0.00 N ATOM 0 H ARG A 133 10.469 4.294 8.782 1.00 0.00 H new ATOM 0 HA ARG A 133 9.272 6.989 8.649 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.691 5.810 10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.983 6.596 9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.115 8.748 10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.493 8.157 10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.146 8.601 12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.648 6.926 12.531 1.00 0.00 H new ATOM 0 HE ARG A 133 12.632 9.051 11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.489 6.510 14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.022 6.424 14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.586 8.920 12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.762 7.779 14.333 1.00 0.00 H new