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 Single : A 32 TYR OH : rot 150:sc= -1.44 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.946 USER MOD Single : A 45 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.6!) USER MOD Single : A 46 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.3!) USER MOD Single : A 54 MET CE :methyl -116:sc= -7.64! (180deg=-10.7!) USER MOD Single : A 57 HIS : no HE2:sc= -0.857 K(o=-0.86,f=-3.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.181) USER MOD Single : A 103 MET CE :methyl -141:sc= -3.87! (180deg=-6.02!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 113 GLN : amide:sc= -1.03 K(o=-1,f=-3.2!) USER MOD Single : A 115 MET CE :methyl -161:sc= -0.37 (180deg=-0.942) USER MOD Single : A 123 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.53) USER MOD Single : A 124 LYS NZ :NH3+ -178:sc= -1.56 (180deg=-1.68) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -50:sc= -0.744 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.154 12.538 8.707 1.00 0.00 N ATOM 508 CA ASP A 31 8.294 11.763 9.183 1.00 0.00 C ATOM 509 C ASP A 31 8.033 10.267 9.040 1.00 0.00 C ATOM 510 O ASP A 31 8.920 9.505 8.659 1.00 0.00 O ATOM 511 CB ASP A 31 8.595 12.102 10.644 1.00 0.00 C ATOM 512 CG ASP A 31 9.366 13.400 10.790 1.00 0.00 C ATOM 513 OD1 ASP A 31 8.824 14.458 10.405 1.00 0.00 O ATOM 514 OD2 ASP A 31 10.509 13.358 11.287 1.00 0.00 O ATOM 0 HA ASP A 31 9.158 12.023 8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.659 12.175 11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.168 11.290 11.092 1.00 0.00 H new ATOM 519 N TYR A 32 6.807 9.856 9.345 1.00 0.00 N ATOM 520 CA TYR A 32 6.425 8.452 9.249 1.00 0.00 C ATOM 521 C TYR A 32 5.543 8.219 8.030 1.00 0.00 C ATOM 522 O TYR A 32 5.110 9.167 7.375 1.00 0.00 O ATOM 523 CB TYR A 32 5.685 8.013 10.512 1.00 0.00 C ATOM 524 CG TYR A 32 6.600 7.552 11.621 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.605 6.618 11.385 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.455 8.048 12.910 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.436 6.195 12.405 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.282 7.628 13.934 1.00 0.00 C ATOM 529 CZ TYR A 32 8.270 6.701 13.677 1.00 0.00 C ATOM 530 OH TYR A 32 9.096 6.282 14.694 1.00 0.00 O ATOM 0 H TYR A 32 6.061 10.475 9.661 1.00 0.00 H new ATOM 0 HA TYR A 32 7.334 7.859 9.145 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.079 8.843 10.874 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.999 7.204 10.259 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.737 6.218 10.390 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.683 8.774 13.115 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.212 5.471 12.207 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.155 8.024 14.931 1.00 0.00 H new ATOM 0 HH TYR A 32 9.201 7.004 15.349 1.00 0.00 H new ATOM 540 N GLY A 33 5.278 6.952 7.727 1.00 0.00 N ATOM 541 CA GLY A 33 4.450 6.630 6.583 1.00 0.00 C ATOM 542 C GLY A 33 3.818 5.255 6.675 1.00 0.00 C ATOM 543 O GLY A 33 4.423 4.319 7.196 1.00 0.00 O ATOM 0 H GLY A 33 5.621 6.147 8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.664 7.379 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.054 6.686 5.677 1.00 0.00 H new ATOM 547 N LEU A 34 2.603 5.134 6.155 1.00 0.00 N ATOM 548 CA LEU A 34 1.888 3.864 6.162 1.00 0.00 C ATOM 549 C LEU A 34 1.907 3.252 4.769 1.00 0.00 C ATOM 550 O LEU A 34 1.239 3.740 3.856 1.00 0.00 O ATOM 551 CB LEU A 34 0.445 4.062 6.635 1.00 0.00 C ATOM 552 CG LEU A 34 -0.289 2.796 7.093 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.909 2.085 5.903 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.649 1.860 7.849 1.00 0.00 C ATOM 0 H LEU A 34 2.091 5.902 5.722 1.00 0.00 H new ATOM 0 HA LEU A 34 2.386 3.186 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.448 4.775 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.124 4.515 5.823 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.085 3.094 7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.426 1.188 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.620 2.750 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.126 1.806 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.102 0.971 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.474 1.568 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.043 2.371 8.727 1.00 0.00 H new ATOM 566 N VAL A 35 2.691 2.196 4.604 1.00 0.00 N ATOM 567 CA VAL A 35 2.816 1.536 3.313 1.00 0.00 C ATOM 568 C VAL A 35 1.895 0.331 3.194 1.00 0.00 C ATOM 569 O VAL A 35 1.667 -0.395 4.161 1.00 0.00 O ATOM 570 CB VAL A 35 4.260 1.067 3.057 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.733 0.170 4.187 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.357 0.338 1.725 1.00 0.00 C ATOM 0 H VAL A 35 3.250 1.778 5.348 1.00 0.00 H new ATOM 0 HA VAL A 35 2.531 2.280 2.569 1.00 0.00 H new ATOM 0 HB VAL A 35 4.905 1.945 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.755 -0.153 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.700 0.721 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.083 -0.703 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.385 0.014 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.700 -0.532 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.056 1.009 0.920 1.00 0.00 H new ATOM 582 N ALA A 36 1.400 0.111 1.983 1.00 0.00 N ATOM 583 CA ALA A 36 0.537 -1.022 1.701 1.00 0.00 C ATOM 584 C ALA A 36 1.361 -2.151 1.098 1.00 0.00 C ATOM 585 O ALA A 36 1.940 -1.996 0.021 1.00 0.00 O ATOM 586 CB ALA A 36 -0.583 -0.611 0.756 1.00 0.00 C ATOM 0 H ALA A 36 1.585 0.708 1.177 1.00 0.00 H new ATOM 0 HA ALA A 36 0.086 -1.371 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.222 -1.471 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.175 0.181 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.156 -0.248 -0.179 1.00 0.00 H new ATOM 592 N LEU A 37 1.434 -3.272 1.813 1.00 0.00 N ATOM 593 CA LEU A 37 2.211 -4.425 1.364 1.00 0.00 C ATOM 594 C LEU A 37 1.394 -5.356 0.468 1.00 0.00 C ATOM 595 O LEU A 37 1.799 -6.490 0.213 1.00 0.00 O ATOM 596 CB LEU A 37 2.731 -5.205 2.572 1.00 0.00 C ATOM 597 CG LEU A 37 3.222 -4.343 3.736 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.250 -5.150 5.027 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.596 -3.772 3.426 1.00 0.00 C ATOM 0 H LEU A 37 0.963 -3.406 2.708 1.00 0.00 H new ATOM 0 HA LEU A 37 3.046 -4.045 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.936 -5.858 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.548 -5.848 2.246 1.00 0.00 H new ATOM 0 HG LEU A 37 2.527 -3.514 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.602 -4.519 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.246 -5.509 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.922 -6.000 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.933 -3.161 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.301 -4.588 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.540 -3.158 2.527 1.00 0.00 H new ATOM 611 N GLU A 38 0.247 -4.883 -0.009 1.00 0.00 N ATOM 612 CA GLU A 38 -0.607 -5.691 -0.873 1.00 0.00 C ATOM 613 C GLU A 38 -1.555 -4.808 -1.682 1.00 0.00 C ATOM 614 O GLU A 38 -2.075 -3.817 -1.172 1.00 0.00 O ATOM 615 CB GLU A 38 -1.405 -6.695 -0.037 1.00 0.00 C ATOM 616 CG GLU A 38 -2.267 -7.635 -0.864 1.00 0.00 C ATOM 617 CD GLU A 38 -3.190 -8.483 -0.012 1.00 0.00 C ATOM 618 OE1 GLU A 38 -2.809 -8.809 1.131 1.00 0.00 O ATOM 619 OE2 GLU A 38 -4.294 -8.822 -0.489 1.00 0.00 O ATOM 0 H GLU A 38 -0.112 -3.948 0.187 1.00 0.00 H new ATOM 0 HA GLU A 38 0.030 -6.236 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.713 -7.286 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.043 -6.149 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.862 -7.052 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.623 -8.287 -1.455 1.00 0.00 H new ATOM 626 N PRO A 39 -1.790 -5.153 -2.962 1.00 0.00 N ATOM 627 CA PRO A 39 -2.679 -4.377 -3.834 1.00 0.00 C ATOM 628 C PRO A 39 -4.122 -4.381 -3.344 1.00 0.00 C ATOM 629 O PRO A 39 -4.687 -5.435 -3.053 1.00 0.00 O ATOM 630 CB PRO A 39 -2.572 -5.087 -5.188 1.00 0.00 C ATOM 631 CG PRO A 39 -2.096 -6.461 -4.865 1.00 0.00 C ATOM 632 CD PRO A 39 -1.211 -6.315 -3.660 1.00 0.00 C ATOM 0 HA PRO A 39 -2.392 -3.326 -3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.535 -5.112 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.875 -4.573 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.934 -7.126 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.548 -6.892 -5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.227 -7.209 -3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.172 -6.141 -3.941 1.00 0.00 H new ATOM 640 N ALA A 40 -4.715 -3.193 -3.257 1.00 0.00 N ATOM 641 CA ALA A 40 -6.093 -3.060 -2.802 1.00 0.00 C ATOM 642 C ALA A 40 -6.711 -1.752 -3.284 1.00 0.00 C ATOM 643 O ALA A 40 -6.024 -0.894 -3.839 1.00 0.00 O ATOM 644 CB ALA A 40 -6.159 -3.151 -1.285 1.00 0.00 C ATOM 0 H ALA A 40 -4.262 -2.311 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.670 -3.880 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.194 -3.050 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.769 -4.116 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.561 -2.352 -0.846 1.00 0.00 H new ATOM 650 N TRP A 41 -8.013 -1.606 -3.063 1.00 0.00 N ATOM 651 CA TRP A 41 -8.730 -0.404 -3.470 1.00 0.00 C ATOM 652 C TRP A 41 -9.171 0.399 -2.249 1.00 0.00 C ATOM 653 O TRP A 41 -10.088 0.001 -1.531 1.00 0.00 O ATOM 654 CB TRP A 41 -9.949 -0.777 -4.316 1.00 0.00 C ATOM 655 CG TRP A 41 -9.592 -1.325 -5.664 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.566 -0.918 -6.468 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.259 -2.378 -6.367 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.556 -1.655 -7.628 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.585 -2.559 -7.589 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.363 -3.188 -6.080 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -9.978 -3.515 -8.522 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.751 -4.137 -7.006 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.061 -4.293 -8.215 1.00 0.00 C ATOM 0 H TRP A 41 -8.594 -2.307 -2.603 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.057 0.211 -4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.544 -1.515 -3.778 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.576 0.105 -4.445 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.865 -0.132 -6.228 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.891 -1.547 -8.394 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.902 -3.073 -5.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.447 -3.638 -9.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.601 -4.769 -6.794 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.390 -5.043 -8.919 1.00 0.00 H new ATOM 674 N ILE A 42 -8.510 1.529 -2.016 1.00 0.00 N ATOM 675 CA ILE A 42 -8.833 2.383 -0.879 1.00 0.00 C ATOM 676 C ILE A 42 -10.001 3.311 -1.198 1.00 0.00 C ATOM 677 O ILE A 42 -9.907 4.158 -2.085 1.00 0.00 O ATOM 678 CB ILE A 42 -7.623 3.232 -0.446 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.361 2.370 -0.384 1.00 0.00 C ATOM 680 CG2 ILE A 42 -7.889 3.883 0.902 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.427 1.288 0.671 1.00 0.00 C ATOM 0 H ILE A 42 -7.748 1.874 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.112 1.719 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.468 4.018 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.196 1.909 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.502 3.010 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.025 4.480 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.766 4.526 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.067 3.111 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.501 0.714 0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.561 1.744 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.267 0.626 0.461 1.00 0.00 H new ATOM 693 N THR A 43 -11.100 3.144 -0.468 1.00 0.00 N ATOM 694 CA THR A 43 -12.289 3.963 -0.672 1.00 0.00 C ATOM 695 C THR A 43 -12.133 5.332 -0.021 1.00 0.00 C ATOM 696 O THR A 43 -11.190 5.569 0.734 1.00 0.00 O ATOM 697 CB THR A 43 -13.520 3.259 -0.100 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.165 2.449 1.006 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.226 2.379 -1.106 1.00 0.00 C ATOM 0 H THR A 43 -11.191 2.447 0.271 1.00 0.00 H new ATOM 0 HA THR A 43 -12.418 4.104 -1.745 1.00 0.00 H new ATOM 0 HB THR A 43 -14.198 4.058 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.966 2.008 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.090 1.909 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.557 2.984 -1.950 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.541 1.608 -1.459 1.00 0.00 H new ATOM 707 N ALA A 44 -13.068 6.227 -0.316 1.00 0.00 N ATOM 708 CA ALA A 44 -13.042 7.571 0.242 1.00 0.00 C ATOM 709 C ALA A 44 -13.070 7.527 1.764 1.00 0.00 C ATOM 710 O ALA A 44 -12.338 8.258 2.430 1.00 0.00 O ATOM 711 CB ALA A 44 -14.213 8.386 -0.287 1.00 0.00 C ATOM 0 H ALA A 44 -13.854 6.045 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.114 8.051 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.180 9.389 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.150 8.451 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.149 7.903 -0.006 1.00 0.00 H new ATOM 717 N GLN A 45 -13.922 6.663 2.309 1.00 0.00 N ATOM 718 CA GLN A 45 -14.059 6.510 3.727 1.00 0.00 C ATOM 719 C GLN A 45 -12.742 6.123 4.388 1.00 0.00 C ATOM 720 O GLN A 45 -12.424 6.599 5.466 1.00 0.00 O ATOM 721 CB GLN A 45 -15.109 5.447 3.972 1.00 0.00 C ATOM 722 CG GLN A 45 -16.330 5.971 4.682 1.00 0.00 C ATOM 723 CD GLN A 45 -16.477 5.430 6.091 1.00 0.00 C ATOM 724 OE1 GLN A 45 -15.674 4.612 6.542 1.00 0.00 O ATOM 725 NE2 GLN A 45 -17.507 5.884 6.794 1.00 0.00 N ATOM 0 H GLN A 45 -14.533 6.054 1.764 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.357 7.461 4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.409 5.015 3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.671 4.642 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.282 7.059 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.218 5.712 4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -18.148 6.562 6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.658 5.555 7.748 1.00 0.00 H new ATOM 734 N GLN A 46 -11.979 5.256 3.742 1.00 0.00 N ATOM 735 CA GLN A 46 -10.710 4.815 4.296 1.00 0.00 C ATOM 736 C GLN A 46 -9.777 5.998 4.526 1.00 0.00 C ATOM 737 O GLN A 46 -9.003 6.013 5.484 1.00 0.00 O ATOM 738 CB GLN A 46 -10.058 3.802 3.359 1.00 0.00 C ATOM 739 CG GLN A 46 -10.873 2.534 3.169 1.00 0.00 C ATOM 740 CD GLN A 46 -11.052 1.758 4.459 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.093 1.526 5.195 1.00 0.00 O ATOM 742 NE2 GLN A 46 -12.285 1.350 4.738 1.00 0.00 N ATOM 0 H GLN A 46 -12.215 4.846 2.838 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.899 4.341 5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.898 4.269 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.076 3.537 3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.852 2.793 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.383 1.898 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.050 1.565 4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.467 0.822 5.591 1.00 0.00 H new ATOM 751 N ILE A 47 -9.855 6.987 3.645 1.00 0.00 N ATOM 752 CA ILE A 47 -9.017 8.174 3.754 1.00 0.00 C ATOM 753 C ILE A 47 -9.454 9.065 4.915 1.00 0.00 C ATOM 754 O ILE A 47 -8.631 9.483 5.730 1.00 0.00 O ATOM 755 CB ILE A 47 -9.044 8.995 2.451 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.753 8.096 1.249 1.00 0.00 C ATOM 757 CG2 ILE A 47 -8.040 10.136 2.517 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.247 8.665 -0.062 1.00 0.00 C ATOM 0 H ILE A 47 -10.490 6.991 2.847 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.001 7.825 3.940 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.040 9.421 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.678 7.929 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.217 7.123 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.074 10.705 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.288 10.791 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.038 9.731 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.007 7.976 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.327 8.806 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.764 9.624 -0.247 1.00 0.00 H new ATOM 770 N GLU A 48 -10.749 9.358 4.982 1.00 0.00 N ATOM 771 CA GLU A 48 -11.287 10.209 6.041 1.00 0.00 C ATOM 772 C GLU A 48 -11.553 9.414 7.318 1.00 0.00 C ATOM 773 O GLU A 48 -11.188 9.841 8.414 1.00 0.00 O ATOM 774 CB GLU A 48 -12.579 10.881 5.571 1.00 0.00 C ATOM 775 CG GLU A 48 -12.872 12.195 6.276 1.00 0.00 C ATOM 776 CD GLU A 48 -13.920 13.021 5.556 1.00 0.00 C ATOM 777 OE1 GLU A 48 -14.910 12.432 5.073 1.00 0.00 O ATOM 778 OE2 GLU A 48 -13.752 14.256 5.477 1.00 0.00 O ATOM 0 H GLU A 48 -11.445 9.020 4.317 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.541 10.971 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.516 11.060 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.413 10.198 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.210 11.991 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.951 12.773 6.357 1.00 0.00 H new ATOM 785 N ALA A 49 -12.193 8.259 7.170 1.00 0.00 N ATOM 786 CA ALA A 49 -12.513 7.401 8.310 1.00 0.00 C ATOM 787 C ALA A 49 -11.262 7.072 9.118 1.00 0.00 C ATOM 788 O ALA A 49 -11.260 7.172 10.345 1.00 0.00 O ATOM 789 CB ALA A 49 -13.195 6.121 7.842 1.00 0.00 C ATOM 0 H ALA A 49 -12.502 7.893 6.270 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.200 7.946 8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.425 5.495 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.118 6.371 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.530 5.580 7.168 1.00 0.00 H new ATOM 795 N ALA A 50 -10.202 6.680 8.422 1.00 0.00 N ATOM 796 CA ALA A 50 -8.944 6.337 9.075 1.00 0.00 C ATOM 797 C ALA A 50 -8.315 7.560 9.731 1.00 0.00 C ATOM 798 O ALA A 50 -7.824 7.489 10.857 1.00 0.00 O ATOM 799 CB ALA A 50 -7.980 5.721 8.072 1.00 0.00 C ATOM 0 H ALA A 50 -10.188 6.592 7.406 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.156 5.607 9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.045 5.470 8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.421 4.817 7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.783 6.434 7.272 1.00 0.00 H new ATOM 805 N ARG A 51 -8.333 8.683 9.020 1.00 0.00 N ATOM 806 CA ARG A 51 -7.763 9.923 9.533 1.00 0.00 C ATOM 807 C ARG A 51 -8.447 10.341 10.831 1.00 0.00 C ATOM 808 O ARG A 51 -7.787 10.744 11.790 1.00 0.00 O ATOM 809 CB ARG A 51 -7.889 11.036 8.489 1.00 0.00 C ATOM 810 CG ARG A 51 -6.549 11.568 8.003 1.00 0.00 C ATOM 811 CD ARG A 51 -6.475 13.082 8.111 1.00 0.00 C ATOM 812 NE ARG A 51 -5.854 13.686 6.934 1.00 0.00 N ATOM 813 CZ ARG A 51 -5.696 14.997 6.769 1.00 0.00 C ATOM 814 NH1 ARG A 51 -6.112 15.845 7.702 1.00 0.00 N ATOM 815 NH2 ARG A 51 -5.122 15.462 5.668 1.00 0.00 N ATOM 0 H ARG A 51 -8.737 8.759 8.086 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.707 9.751 9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.453 10.660 7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.465 11.858 8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.746 11.121 8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.392 11.269 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.479 13.486 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.907 13.355 9.000 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.522 13.066 6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.555 15.493 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.988 16.849 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.802 14.815 4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.001 16.467 5.541 1.00 0.00 H new ATOM 829 N VAL A 52 -9.772 10.240 10.858 1.00 0.00 N ATOM 830 CA VAL A 52 -10.544 10.607 12.039 1.00 0.00 C ATOM 831 C VAL A 52 -10.109 9.791 13.254 1.00 0.00 C ATOM 832 O VAL A 52 -10.081 10.298 14.375 1.00 0.00 O ATOM 833 CB VAL A 52 -12.054 10.400 11.809 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.852 10.904 13.004 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.500 11.092 10.530 1.00 0.00 C ATOM 0 H VAL A 52 -10.334 9.907 10.074 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.354 11.664 12.227 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.242 9.332 11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.916 10.749 12.823 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.553 10.357 13.898 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.659 11.967 13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.569 10.935 10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.297 12.160 10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.954 10.678 9.683 1.00 0.00 H new ATOM 845 N ALA A 53 -9.770 8.528 13.020 1.00 0.00 N ATOM 846 CA ALA A 53 -9.336 7.643 14.093 1.00 0.00 C ATOM 847 C ALA A 53 -7.894 7.932 14.496 1.00 0.00 C ATOM 848 O ALA A 53 -7.544 7.875 15.675 1.00 0.00 O ATOM 849 CB ALA A 53 -9.486 6.190 13.667 1.00 0.00 C ATOM 0 H ALA A 53 -9.788 8.095 12.097 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.970 7.825 14.961 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.159 5.538 14.477 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.531 5.985 13.436 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.876 6.005 12.783 1.00 0.00 H new ATOM 855 N MET A 54 -7.062 8.241 13.507 1.00 0.00 N ATOM 856 CA MET A 54 -5.655 8.537 13.754 1.00 0.00 C ATOM 857 C MET A 54 -5.489 9.884 14.451 1.00 0.00 C ATOM 858 O MET A 54 -4.768 9.995 15.442 1.00 0.00 O ATOM 859 CB MET A 54 -4.875 8.532 12.438 1.00 0.00 C ATOM 860 CG MET A 54 -4.786 7.159 11.794 1.00 0.00 C ATOM 861 SD MET A 54 -3.470 7.053 10.566 1.00 0.00 S ATOM 862 CE MET A 54 -4.299 7.723 9.128 1.00 0.00 C ATOM 0 H MET A 54 -7.338 8.293 12.526 1.00 0.00 H new ATOM 0 HA MET A 54 -5.259 7.762 14.410 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.350 9.222 11.740 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.867 8.906 12.620 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.618 6.409 12.567 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.739 6.921 11.321 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.377 6.952 8.361 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.297 8.060 9.407 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.728 8.566 8.738 1.00 0.00 H new ATOM 872 N VAL A 55 -6.156 10.907 13.923 1.00 0.00 N ATOM 873 CA VAL A 55 -6.077 12.247 14.495 1.00 0.00 C ATOM 874 C VAL A 55 -6.494 12.245 15.963 1.00 0.00 C ATOM 875 O VAL A 55 -5.909 12.950 16.786 1.00 0.00 O ATOM 876 CB VAL A 55 -6.964 13.242 13.720 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.787 14.654 14.260 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.648 13.191 12.232 1.00 0.00 C ATOM 0 H VAL A 55 -6.756 10.833 13.101 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.037 12.563 14.417 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.006 12.954 13.859 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.422 15.340 13.699 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.067 14.679 15.313 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.745 14.956 14.155 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.283 13.900 11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.602 13.452 12.073 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.832 12.185 11.855 1.00 0.00 H new ATOM 888 N ARG A 56 -7.506 11.448 16.284 1.00 0.00 N ATOM 889 CA ARG A 56 -7.998 11.352 17.654 1.00 0.00 C ATOM 890 C ARG A 56 -7.044 10.537 18.520 1.00 0.00 C ATOM 891 O ARG A 56 -6.944 10.756 19.727 1.00 0.00 O ATOM 892 CB ARG A 56 -9.391 10.722 17.673 1.00 0.00 C ATOM 893 CG ARG A 56 -10.516 11.723 17.472 1.00 0.00 C ATOM 894 CD ARG A 56 -11.795 11.041 17.014 1.00 0.00 C ATOM 895 NE ARG A 56 -12.988 11.755 17.467 1.00 0.00 N ATOM 896 CZ ARG A 56 -14.231 11.383 17.169 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.449 10.309 16.420 1.00 0.00 N ATOM 898 NH2 ARG A 56 -15.259 12.089 17.620 1.00 0.00 N ATOM 0 H ARG A 56 -8.002 10.859 15.615 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.057 12.360 18.064 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.448 9.963 16.892 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.536 10.211 18.625 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.701 12.256 18.405 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.215 12.467 16.734 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.802 10.977 15.926 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.817 10.020 17.394 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.860 12.586 18.045 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.662 9.763 16.069 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.404 10.029 16.195 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.097 12.916 18.195 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.212 11.805 17.392 1.00 0.00 H new ATOM 912 N HIS A 57 -6.345 9.594 17.896 1.00 0.00 N ATOM 913 CA HIS A 57 -5.398 8.743 18.610 1.00 0.00 C ATOM 914 C HIS A 57 -4.299 9.576 19.262 1.00 0.00 C ATOM 915 O HIS A 57 -4.039 9.449 20.460 1.00 0.00 O ATOM 916 CB HIS A 57 -4.781 7.719 17.657 1.00 0.00 C ATOM 917 CG HIS A 57 -4.247 6.504 18.349 1.00 0.00 C ATOM 918 ND1 HIS A 57 -5.003 5.735 19.210 1.00 0.00 N ATOM 919 CD2 HIS A 57 -3.025 5.923 18.304 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.268 4.736 19.666 1.00 0.00 C ATOM 921 NE2 HIS A 57 -3.064 4.827 19.131 1.00 0.00 N ATOM 0 H HIS A 57 -6.416 9.399 16.897 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.942 8.217 19.394 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.533 7.412 16.930 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.974 8.194 17.099 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.977 5.910 19.456 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.177 6.259 17.725 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.596 3.975 20.358 1.00 0.00 H new ATOM 930 N PHE A 58 -3.653 10.425 18.468 1.00 0.00 N ATOM 931 CA PHE A 58 -2.579 11.275 18.972 1.00 0.00 C ATOM 932 C PHE A 58 -3.073 12.150 20.122 1.00 0.00 C ATOM 933 O PHE A 58 -3.933 13.011 19.933 1.00 0.00 O ATOM 934 CB PHE A 58 -2.020 12.157 17.852 1.00 0.00 C ATOM 935 CG PHE A 58 -1.838 11.435 16.546 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.857 10.465 16.403 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.649 11.727 15.461 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.689 9.802 15.202 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.486 11.067 14.258 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.504 10.103 14.128 1.00 0.00 C ATOM 0 H PHE A 58 -3.854 10.543 17.475 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.785 10.627 19.342 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.691 13.003 17.699 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.060 12.565 18.168 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.217 10.225 17.239 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.418 12.480 15.557 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.079 9.049 15.103 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.125 11.304 13.420 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.374 9.586 13.189 1.00 0.00 H new ATOM 950 N ARG A 59 -2.525 11.922 21.311 1.00 0.00 N ATOM 951 CA ARG A 59 -2.911 12.688 22.490 1.00 0.00 C ATOM 952 C ARG A 59 -2.135 13.998 22.571 1.00 0.00 C ATOM 953 O ARG A 59 -2.625 14.989 23.114 1.00 0.00 O ATOM 954 CB ARG A 59 -2.677 11.863 23.757 1.00 0.00 C ATOM 955 CG ARG A 59 -3.454 10.557 23.784 1.00 0.00 C ATOM 956 CD ARG A 59 -3.600 10.025 25.201 1.00 0.00 C ATOM 957 NE ARG A 59 -3.490 8.570 25.253 1.00 0.00 N ATOM 958 CZ ARG A 59 -3.918 7.831 26.274 1.00 0.00 C ATOM 959 NH1 ARG A 59 -4.484 8.405 27.328 1.00 0.00 N ATOM 960 NH2 ARG A 59 -3.779 6.512 26.240 1.00 0.00 N ATOM 0 H ARG A 59 -1.812 11.213 21.483 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.972 12.923 22.407 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.613 11.645 23.847 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.955 12.460 24.626 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.441 10.711 23.348 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.945 9.817 23.167 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.833 10.469 25.836 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.565 10.330 25.605 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.060 8.092 24.461 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.593 9.419 27.359 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.810 7.833 28.107 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.345 6.066 25.432 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.106 5.944 27.022 1.00 0.00 H new ATOM 974 N ARG A 60 -0.921 13.998 22.030 1.00 0.00 N ATOM 975 CA ARG A 60 -0.078 15.188 22.044 1.00 0.00 C ATOM 976 C ARG A 60 -0.182 15.945 20.723 1.00 0.00 C ATOM 977 O ARG A 60 0.786 16.555 20.269 1.00 0.00 O ATOM 978 CB ARG A 60 1.379 14.804 22.311 1.00 0.00 C ATOM 979 CG ARG A 60 1.581 14.067 23.625 1.00 0.00 C ATOM 980 CD ARG A 60 1.707 15.032 24.792 1.00 0.00 C ATOM 981 NE ARG A 60 2.330 14.407 25.955 1.00 0.00 N ATOM 982 CZ ARG A 60 2.247 14.892 27.193 1.00 0.00 C ATOM 983 NH1 ARG A 60 1.567 16.007 27.430 1.00 0.00 N ATOM 984 NH2 ARG A 60 2.845 14.261 28.194 1.00 0.00 N ATOM 0 H ARG A 60 -0.499 13.188 21.577 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.428 15.840 22.844 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.737 14.178 21.494 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.990 15.707 22.312 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.742 13.393 23.798 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.478 13.450 23.563 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.297 15.896 24.486 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.719 15.401 25.065 1.00 0.00 H new ATOM 0 HE ARG A 60 2.860 13.548 25.811 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.106 16.496 26.663 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.506 16.375 28.379 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.369 13.404 28.016 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.781 14.633 29.142 1.00 0.00 H new ATOM 998 N GLY A 61 -1.362 15.900 20.112 1.00 0.00 N ATOM 999 CA GLY A 61 -1.568 16.586 18.851 1.00 0.00 C ATOM 1000 C GLY A 61 -0.766 15.973 17.719 1.00 0.00 C ATOM 1001 O GLY A 61 0.281 15.369 17.949 1.00 0.00 O ATOM 0 H GLY A 61 -2.178 15.401 20.468 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.628 16.561 18.596 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.291 17.634 18.962 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.259 16.129 16.496 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.568 15.581 15.343 1.00 0.00 C ATOM 1007 C GLY A 62 -1.337 15.786 14.053 1.00 0.00 C ATOM 1008 O GLY A 62 -2.552 15.981 14.071 1.00 0.00 O ATOM 0 H GLY A 62 -2.124 16.625 16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.413 16.048 15.256 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.401 14.515 15.497 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.627 15.742 12.931 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.249 15.924 11.624 1.00 0.00 C ATOM 1014 C LYS A 63 -0.841 14.808 10.669 1.00 0.00 C ATOM 1015 O LYS A 63 0.284 14.311 10.723 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.860 17.282 11.036 1.00 0.00 C ATOM 1017 CG LYS A 63 0.641 17.483 10.910 1.00 0.00 C ATOM 1018 CD LYS A 63 1.028 18.938 11.117 1.00 0.00 C ATOM 1019 CE LYS A 63 2.388 19.245 10.513 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.462 19.266 11.546 1.00 0.00 N ATOM 0 H LYS A 63 0.380 15.582 12.900 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.331 15.889 11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.316 17.386 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.273 18.072 11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.155 16.861 11.643 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.972 17.154 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.274 19.584 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.043 19.163 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.626 18.498 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.351 20.210 10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.374 19.479 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.248 19.997 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.514 18.337 12.011 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.763 14.416 9.795 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.496 13.357 8.828 1.00 0.00 C ATOM 1036 C ILE A 64 -1.516 13.892 7.402 1.00 0.00 C ATOM 1037 O ILE A 64 -2.234 14.843 7.093 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.519 12.208 8.933 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.942 11.986 10.388 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.934 10.933 8.346 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.873 10.806 10.573 1.00 0.00 C ATOM 0 H ILE A 64 -2.700 14.815 9.737 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.504 12.974 9.065 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.407 12.482 8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.051 11.835 10.998 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.432 12.887 10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.664 10.128 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.685 11.096 7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.032 10.660 8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.131 10.708 11.627 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.780 10.964 9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.378 9.896 10.235 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.730 13.265 6.534 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.660 13.665 5.136 1.00 0.00 C ATOM 1055 C PHE A 65 -1.099 12.515 4.236 1.00 0.00 C ATOM 1056 O PHE A 65 -0.459 11.465 4.197 1.00 0.00 O ATOM 1057 CB PHE A 65 0.761 14.104 4.776 1.00 0.00 C ATOM 1058 CG PHE A 65 1.231 15.305 5.545 1.00 0.00 C ATOM 1059 CD1 PHE A 65 0.882 16.583 5.139 1.00 0.00 C ATOM 1060 CD2 PHE A 65 2.021 15.157 6.673 1.00 0.00 C ATOM 1061 CE1 PHE A 65 1.312 17.691 5.845 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.455 16.261 7.383 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.100 17.529 6.968 1.00 0.00 C ATOM 0 H PHE A 65 -0.131 12.476 6.776 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.333 14.508 4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.446 13.276 4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.805 14.325 3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.267 16.715 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.301 14.167 7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.032 18.682 5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.071 16.132 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.438 18.393 7.521 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.201 12.716 3.522 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.729 11.689 2.632 1.00 0.00 C ATOM 1075 C ILE A 66 -2.410 12.005 1.176 1.00 0.00 C ATOM 1076 O ILE A 66 -2.699 13.098 0.689 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.257 11.528 2.787 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.699 11.871 4.214 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.678 10.112 2.424 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.970 11.085 5.282 1.00 0.00 C ATOM 0 H ILE A 66 -2.745 13.579 3.542 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.245 10.754 2.915 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.746 12.223 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.542 12.936 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.769 11.688 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.757 10.013 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.401 9.904 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.177 9.403 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.336 11.381 6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.148 10.020 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.901 11.287 5.216 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.813 11.039 0.483 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.456 11.214 -0.920 1.00 0.00 C ATOM 1094 C ARG A 67 -2.247 10.256 -1.809 1.00 0.00 C ATOM 1095 O ARG A 67 -1.810 9.910 -2.906 1.00 0.00 O ATOM 1096 CB ARG A 67 0.046 10.992 -1.116 1.00 0.00 C ATOM 1097 CG ARG A 67 0.823 12.275 -1.361 1.00 0.00 C ATOM 1098 CD ARG A 67 0.417 12.932 -2.672 1.00 0.00 C ATOM 1099 NE ARG A 67 1.029 14.247 -2.838 1.00 0.00 N ATOM 1100 CZ ARG A 67 2.284 14.436 -3.238 1.00 0.00 C ATOM 1101 NH1 ARG A 67 3.064 13.397 -3.512 1.00 0.00 N ATOM 1102 NH2 ARG A 67 2.761 15.666 -3.364 1.00 0.00 N ATOM 0 H ARG A 67 -1.567 10.128 0.871 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.706 12.235 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.450 10.495 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.198 10.318 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.652 12.968 -0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.891 12.057 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.706 12.290 -3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.668 13.030 -2.707 1.00 0.00 H new ATOM 0 HE ARG A 67 0.461 15.070 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.702 12.448 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.025 13.548 -3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.166 16.468 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.723 15.811 -3.671 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.414 9.834 -1.329 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.263 8.920 -2.084 1.00 0.00 C ATOM 1118 C ILE A 68 -5.652 9.515 -2.296 1.00 0.00 C ATOM 1119 O ILE A 68 -6.291 9.979 -1.352 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.394 7.556 -1.375 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.056 7.722 -0.005 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.028 6.900 -1.235 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.202 6.422 0.757 1.00 0.00 C ATOM 0 H ILE A 68 -3.792 10.110 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.786 8.767 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.027 6.909 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.468 8.419 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.041 8.168 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.136 5.939 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.595 6.747 -2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.373 7.544 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.679 6.615 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.815 5.729 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.217 5.984 0.922 1.00 0.00 H new ATOM 1135 N PHE A 69 -6.113 9.501 -3.543 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.425 10.042 -3.877 1.00 0.00 C ATOM 1137 C PHE A 69 -8.244 9.032 -4.681 1.00 0.00 C ATOM 1138 O PHE A 69 -7.744 8.444 -5.641 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.273 11.343 -4.671 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.727 12.562 -3.919 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -9.077 12.816 -3.736 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -6.804 13.452 -3.396 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -9.497 13.935 -3.045 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -7.218 14.574 -2.704 1.00 0.00 C ATOM 1145 CZ PHE A 69 -8.567 14.816 -2.528 1.00 0.00 C ATOM 0 H PHE A 69 -5.598 9.121 -4.337 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.954 10.250 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.227 11.468 -4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.844 11.263 -5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.809 12.131 -4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.748 13.267 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.552 14.121 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.488 15.261 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.894 15.692 -1.987 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.519 8.812 -4.305 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.395 7.867 -5.004 1.00 0.00 C ATOM 1157 C PRO A 70 -10.701 8.316 -6.429 1.00 0.00 C ATOM 1158 O PRO A 70 -11.491 9.237 -6.643 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.680 7.857 -4.162 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.310 8.492 -2.864 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.208 9.460 -3.178 1.00 0.00 C ATOM 0 HA PRO A 70 -9.932 6.885 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.478 8.411 -4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.043 6.840 -4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.165 9.004 -2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.979 7.744 -2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.597 10.441 -3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.543 9.606 -2.327 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.406 4.479 -5.481 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.291 3.965 -4.694 1.00 0.00 C ATOM 1541 C VAL A 94 -9.953 4.377 -5.296 1.00 0.00 C ATOM 1542 O VAL A 94 -9.899 4.968 -6.374 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.328 2.427 -4.588 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.268 1.985 -3.478 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.727 1.803 -5.917 1.00 0.00 C ATOM 0 HA VAL A 94 -11.394 4.396 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.325 2.080 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.278 0.897 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.926 2.394 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.275 2.347 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.746 0.718 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.717 2.159 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.004 2.085 -6.683 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.874 4.053 -4.591 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.531 4.379 -5.051 1.00 0.00 C ATOM 1557 C ALA A 95 -6.663 3.127 -5.110 1.00 0.00 C ATOM 1558 O ALA A 95 -6.235 2.607 -4.080 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.897 5.422 -4.142 1.00 0.00 C ATOM 0 H ALA A 95 -8.905 3.564 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.604 4.793 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.894 5.655 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.504 6.328 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.839 5.032 -3.126 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.417 2.640 -6.322 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.608 1.442 -6.514 1.00 0.00 C ATOM 1567 C VAL A 96 -4.203 1.622 -5.951 1.00 0.00 C ATOM 1568 O VAL A 96 -3.524 2.604 -6.247 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.506 1.052 -8.001 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -4.997 -0.373 -8.143 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.851 1.214 -8.695 1.00 0.00 C ATOM 0 H VAL A 96 -6.766 3.056 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.113 0.642 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.794 1.722 -8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.931 -0.632 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.010 -0.454 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.684 -1.056 -7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.755 0.933 -9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.589 0.572 -8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.173 2.253 -8.626 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.776 0.663 -5.136 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.454 0.704 -4.524 1.00 0.00 C ATOM 1583 C VAL A 97 -1.685 -0.587 -4.797 1.00 0.00 C ATOM 1584 O VAL A 97 -2.276 -1.603 -5.159 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.550 0.919 -3.001 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.172 1.138 -2.399 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.470 2.088 -2.683 1.00 0.00 C ATOM 0 H VAL A 97 -4.330 -0.156 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.921 1.544 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.974 0.019 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.264 1.288 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.548 0.265 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.714 2.018 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.525 2.224 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.078 2.995 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.467 1.884 -3.074 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.368 -0.539 -4.623 1.00 0.00 N ATOM 1598 CA LYS A 98 0.478 -1.707 -4.850 1.00 0.00 C ATOM 1599 C LYS A 98 1.416 -1.933 -3.664 1.00 0.00 C ATOM 1600 O LYS A 98 1.666 -1.018 -2.881 1.00 0.00 O ATOM 1601 CB LYS A 98 1.291 -1.533 -6.134 1.00 0.00 C ATOM 1602 CG LYS A 98 0.559 -1.990 -7.385 1.00 0.00 C ATOM 1603 CD LYS A 98 -0.131 -0.829 -8.082 1.00 0.00 C ATOM 1604 CE LYS A 98 -0.253 -1.069 -9.577 1.00 0.00 C ATOM 1605 NZ LYS A 98 -0.804 -2.419 -9.880 1.00 0.00 N ATOM 0 H LYS A 98 0.137 0.296 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.166 -2.580 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.560 -0.482 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.222 -2.093 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.265 -2.459 -8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.179 -2.747 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.123 -0.684 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.430 0.088 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.898 -0.307 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.727 -0.964 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.062 -2.471 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.087 -3.142 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.649 -2.588 -9.297 1.00 0.00 H new ATOM 1619 N PRO A 99 1.954 -3.156 -3.517 1.00 0.00 N ATOM 1620 CA PRO A 99 2.869 -3.482 -2.419 1.00 0.00 C ATOM 1621 C PRO A 99 4.056 -2.530 -2.363 1.00 0.00 C ATOM 1622 O PRO A 99 4.880 -2.492 -3.277 1.00 0.00 O ATOM 1623 CB PRO A 99 3.336 -4.903 -2.744 1.00 0.00 C ATOM 1624 CG PRO A 99 2.265 -5.467 -3.613 1.00 0.00 C ATOM 1625 CD PRO A 99 1.717 -4.310 -4.403 1.00 0.00 C ATOM 0 HA PRO A 99 2.384 -3.397 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.298 -4.896 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.462 -5.495 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.664 -6.236 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.484 -5.935 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.229 -4.196 -5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.657 -4.438 -4.623 1.00 0.00 H new ATOM 1633 N GLY A 100 4.131 -1.754 -1.289 1.00 0.00 N ATOM 1634 CA GLY A 100 5.213 -0.805 -1.135 1.00 0.00 C ATOM 1635 C GLY A 100 4.794 0.603 -1.505 1.00 0.00 C ATOM 1636 O GLY A 100 5.586 1.370 -2.050 1.00 0.00 O ATOM 0 H GLY A 100 3.460 -1.766 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.563 -0.819 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.053 -1.109 -1.760 1.00 0.00 H new ATOM 1640 N ARG A 101 3.540 0.942 -1.215 1.00 0.00 N ATOM 1641 CA ARG A 101 3.017 2.269 -1.531 1.00 0.00 C ATOM 1642 C ARG A 101 2.667 3.048 -0.267 1.00 0.00 C ATOM 1643 O ARG A 101 1.841 2.611 0.534 1.00 0.00 O ATOM 1644 CB ARG A 101 1.780 2.155 -2.421 1.00 0.00 C ATOM 1645 CG ARG A 101 1.798 3.099 -3.611 1.00 0.00 C ATOM 1646 CD ARG A 101 1.759 4.550 -3.167 1.00 0.00 C ATOM 1647 NE ARG A 101 1.359 5.445 -4.250 1.00 0.00 N ATOM 1648 CZ ARG A 101 0.105 5.580 -4.674 1.00 0.00 C ATOM 1649 NH1 ARG A 101 -0.873 4.883 -4.109 1.00 0.00 N ATOM 1650 NH2 ARG A 101 -0.174 6.415 -5.667 1.00 0.00 N ATOM 0 H ARG A 101 2.870 0.319 -0.764 1.00 0.00 H new ATOM 0 HA ARG A 101 3.799 2.811 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.696 1.130 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.892 2.356 -1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.695 2.922 -4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.944 2.891 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.063 4.655 -2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.743 4.843 -2.800 1.00 0.00 H new ATOM 0 HE ARG A 101 2.083 5.999 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.665 4.240 -3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.832 4.991 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.573 6.954 -6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.135 6.518 -5.992 1.00 0.00 H new ATOM 1664 N VAL A 102 3.289 4.213 -0.104 1.00 0.00 N ATOM 1665 CA VAL A 102 3.032 5.062 1.056 1.00 0.00 C ATOM 1666 C VAL A 102 1.711 5.807 0.894 1.00 0.00 C ATOM 1667 O VAL A 102 1.618 6.764 0.126 1.00 0.00 O ATOM 1668 CB VAL A 102 4.165 6.087 1.265 1.00 0.00 C ATOM 1669 CG1 VAL A 102 4.021 6.777 2.613 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.529 5.416 1.142 1.00 0.00 C ATOM 0 H VAL A 102 3.973 4.590 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 102 2.981 4.410 1.928 1.00 0.00 H new ATOM 0 HB VAL A 102 4.089 6.845 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.830 7.496 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.063 7.296 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.067 6.034 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.314 6.157 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.619 4.634 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.630 4.977 0.149 1.00 0.00 H new ATOM 1680 N MET A 103 0.688 5.356 1.613 1.00 0.00 N ATOM 1681 CA MET A 103 -0.631 5.974 1.538 1.00 0.00 C ATOM 1682 C MET A 103 -0.805 7.051 2.606 1.00 0.00 C ATOM 1683 O MET A 103 -1.484 8.054 2.382 1.00 0.00 O ATOM 1684 CB MET A 103 -1.720 4.909 1.688 1.00 0.00 C ATOM 1685 CG MET A 103 -1.460 3.654 0.868 1.00 0.00 C ATOM 1686 SD MET A 103 -2.586 2.307 1.280 1.00 0.00 S ATOM 1687 CE MET A 103 -1.870 1.720 2.814 1.00 0.00 C ATOM 0 H MET A 103 0.747 4.565 2.254 1.00 0.00 H new ATOM 0 HA MET A 103 -0.722 6.450 0.562 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.806 4.635 2.739 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.678 5.336 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.556 3.891 -0.192 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.433 3.326 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.923 0.632 2.847 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.828 2.035 2.873 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.423 2.136 3.656 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.195 6.838 3.766 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.291 7.793 4.867 1.00 0.00 C ATOM 1699 C PHE A 104 1.090 8.179 5.382 1.00 0.00 C ATOM 1700 O PHE A 104 2.076 7.493 5.111 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.118 7.203 6.010 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.586 7.107 5.707 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.071 6.108 4.880 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.479 8.014 6.253 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.421 6.015 4.602 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.830 7.926 5.980 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.303 6.925 5.153 1.00 0.00 C ATOM 0 H PHE A 104 0.371 6.014 3.970 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.783 8.689 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.739 6.208 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -0.979 7.816 6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.386 5.394 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.115 8.799 6.899 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.787 5.232 3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.516 8.639 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.359 6.854 4.938 1.00 0.00 H new ATOM 1717 N GLU A 105 1.151 9.278 6.128 1.00 0.00 N ATOM 1718 CA GLU A 105 2.410 9.756 6.692 1.00 0.00 C ATOM 1719 C GLU A 105 2.160 10.841 7.735 1.00 0.00 C ATOM 1720 O GLU A 105 1.601 11.895 7.428 1.00 0.00 O ATOM 1721 CB GLU A 105 3.326 10.289 5.589 1.00 0.00 C ATOM 1722 CG GLU A 105 2.605 11.132 4.551 1.00 0.00 C ATOM 1723 CD GLU A 105 2.501 10.442 3.205 1.00 0.00 C ATOM 1724 OE1 GLU A 105 3.557 10.187 2.585 1.00 0.00 O ATOM 1725 OE2 GLU A 105 1.366 10.156 2.769 1.00 0.00 O ATOM 0 H GLU A 105 0.342 9.856 6.357 1.00 0.00 H new ATOM 0 HA GLU A 105 2.901 8.914 7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.117 10.886 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.807 9.448 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.604 11.367 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.131 12.079 4.429 1.00 0.00 H new ATOM 1732 N VAL A 106 2.572 10.573 8.970 1.00 0.00 N ATOM 1733 CA VAL A 106 2.390 11.524 10.061 1.00 0.00 C ATOM 1734 C VAL A 106 3.698 12.228 10.408 1.00 0.00 C ATOM 1735 O VAL A 106 4.770 11.824 9.960 1.00 0.00 O ATOM 1736 CB VAL A 106 1.842 10.834 11.325 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.461 10.254 11.061 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.799 9.752 11.808 1.00 0.00 C ATOM 0 H VAL A 106 3.034 9.705 9.240 1.00 0.00 H new ATOM 0 HA VAL A 106 1.666 12.261 9.714 1.00 0.00 H new ATOM 0 HB VAL A 106 1.754 11.583 12.112 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.090 9.771 11.965 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.220 11.054 10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.522 9.521 10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.392 9.278 12.701 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.926 9.003 11.026 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.765 10.199 12.043 1.00 0.00 H new ATOM 1748 N ALA A 107 3.599 13.283 11.211 1.00 0.00 N ATOM 1749 CA ALA A 107 4.773 14.044 11.621 1.00 0.00 C ATOM 1750 C ALA A 107 4.493 14.849 12.884 1.00 0.00 C ATOM 1751 O ALA A 107 3.430 15.455 13.024 1.00 0.00 O ATOM 1752 CB ALA A 107 5.223 14.964 10.497 1.00 0.00 C ATOM 0 H ALA A 107 2.718 13.630 11.590 1.00 0.00 H new ATOM 0 HA ALA A 107 5.573 13.338 11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.100 15.526 10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.473 14.369 9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.418 15.657 10.249 1.00 0.00 H new ATOM 1758 N GLY A 108 5.455 14.855 13.801 1.00 0.00 N ATOM 1759 CA GLY A 108 5.293 15.593 15.041 1.00 0.00 C ATOM 1760 C GLY A 108 4.914 14.702 16.207 1.00 0.00 C ATOM 1761 O GLY A 108 5.296 14.967 17.347 1.00 0.00 O ATOM 0 H GLY A 108 6.343 14.363 13.708 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.222 16.113 15.274 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.526 16.356 14.907 1.00 0.00 H new ATOM 1765 N VAL A 109 4.161 13.644 15.924 1.00 0.00 N ATOM 1766 CA VAL A 109 3.730 12.716 16.963 1.00 0.00 C ATOM 1767 C VAL A 109 4.832 11.715 17.300 1.00 0.00 C ATOM 1768 O VAL A 109 5.749 11.497 16.509 1.00 0.00 O ATOM 1769 CB VAL A 109 2.460 11.949 16.544 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.306 12.913 16.318 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.720 11.112 15.298 1.00 0.00 C ATOM 0 H VAL A 109 3.837 13.408 14.986 1.00 0.00 H new ATOM 0 HA VAL A 109 3.506 13.314 17.846 1.00 0.00 H new ATOM 0 HB VAL A 109 2.186 11.272 17.353 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.418 12.354 16.023 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.102 13.459 17.239 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.570 13.618 15.530 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.810 10.580 15.021 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.023 11.764 14.479 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.513 10.393 15.502 1.00 0.00 H new ATOM 1781 N THR A 110 4.733 11.111 18.479 1.00 0.00 N ATOM 1782 CA THR A 110 5.722 10.134 18.923 1.00 0.00 C ATOM 1783 C THR A 110 5.668 8.876 18.062 1.00 0.00 C ATOM 1784 O THR A 110 4.791 8.730 17.211 1.00 0.00 O ATOM 1785 CB THR A 110 5.488 9.772 20.390 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.363 8.921 20.524 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.258 10.978 21.276 1.00 0.00 C ATOM 0 H THR A 110 3.979 11.280 19.145 1.00 0.00 H new ATOM 0 HA THR A 110 6.711 10.581 18.819 1.00 0.00 H new ATOM 0 HB THR A 110 6.402 9.273 20.712 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.231 8.700 21.469 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.099 10.650 22.303 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.130 11.631 21.235 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.380 11.522 20.929 1.00 0.00 H new ATOM 1795 N GLU A 111 6.613 7.969 18.290 1.00 0.00 N ATOM 1796 CA GLU A 111 6.674 6.722 17.536 1.00 0.00 C ATOM 1797 C GLU A 111 5.524 5.797 17.916 1.00 0.00 C ATOM 1798 O GLU A 111 4.923 5.152 17.057 1.00 0.00 O ATOM 1799 CB GLU A 111 8.011 6.019 17.781 1.00 0.00 C ATOM 1800 CG GLU A 111 8.226 4.800 16.899 1.00 0.00 C ATOM 1801 CD GLU A 111 8.075 3.496 17.658 1.00 0.00 C ATOM 1802 OE1 GLU A 111 7.256 3.449 18.600 1.00 0.00 O ATOM 1803 OE2 GLU A 111 8.775 2.522 17.310 1.00 0.00 O ATOM 0 H GLU A 111 7.347 8.074 18.991 1.00 0.00 H new ATOM 0 HA GLU A 111 6.586 6.964 16.477 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.822 6.728 17.611 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.067 5.715 18.826 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.512 4.822 16.076 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.222 4.846 16.458 1.00 0.00 H new ATOM 1810 N GLU A 112 5.221 5.738 19.209 1.00 0.00 N ATOM 1811 CA GLU A 112 4.142 4.891 19.702 1.00 0.00 C ATOM 1812 C GLU A 112 2.794 5.355 19.159 1.00 0.00 C ATOM 1813 O GLU A 112 1.964 4.542 18.754 1.00 0.00 O ATOM 1814 CB GLU A 112 4.122 4.894 21.233 1.00 0.00 C ATOM 1815 CG GLU A 112 4.307 3.514 21.846 1.00 0.00 C ATOM 1816 CD GLU A 112 4.611 3.572 23.330 1.00 0.00 C ATOM 1817 OE1 GLU A 112 4.143 4.519 23.996 1.00 0.00 O ATOM 1818 OE2 GLU A 112 5.318 2.669 23.826 1.00 0.00 O ATOM 0 H GLU A 112 5.707 6.266 19.933 1.00 0.00 H new ATOM 0 HA GLU A 112 4.321 3.875 19.352 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.910 5.553 21.597 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.175 5.311 21.575 1.00 0.00 H new ATOM 0 HG2 GLU A 112 3.403 2.925 21.687 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.118 2.998 21.332 1.00 0.00 H new ATOM 1825 N GLN A 113 2.584 6.667 19.152 1.00 0.00 N ATOM 1826 CA GLN A 113 1.337 7.239 18.657 1.00 0.00 C ATOM 1827 C GLN A 113 1.288 7.194 17.135 1.00 0.00 C ATOM 1828 O GLN A 113 0.242 6.931 16.542 1.00 0.00 O ATOM 1829 CB GLN A 113 1.184 8.682 19.142 1.00 0.00 C ATOM 1830 CG GLN A 113 1.256 8.826 20.653 1.00 0.00 C ATOM 1831 CD GLN A 113 -0.114 8.944 21.294 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -1.137 8.798 20.627 1.00 0.00 O ATOM 1833 NE2 GLN A 113 -0.137 9.212 22.594 1.00 0.00 N ATOM 0 H GLN A 113 3.261 7.354 19.483 1.00 0.00 H new ATOM 0 HA GLN A 113 0.512 6.644 19.048 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.965 9.293 18.689 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.229 9.075 18.793 1.00 0.00 H new ATOM 0 HG2 GLN A 113 1.776 7.965 21.072 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.847 9.707 20.903 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.737 9.325 23.107 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -1.029 9.305 23.080 1.00 0.00 H new ATOM 1842 N ALA A 114 2.430 7.453 16.509 1.00 0.00 N ATOM 1843 CA ALA A 114 2.526 7.447 15.055 1.00 0.00 C ATOM 1844 C ALA A 114 2.387 6.033 14.499 1.00 0.00 C ATOM 1845 O ALA A 114 1.625 5.797 13.562 1.00 0.00 O ATOM 1846 CB ALA A 114 3.846 8.060 14.619 1.00 0.00 C ATOM 0 H ALA A 114 3.304 7.670 16.987 1.00 0.00 H new ATOM 0 HA ALA A 114 1.706 8.045 14.656 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.909 8.051 13.531 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.906 9.087 14.978 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.671 7.481 15.035 1.00 0.00 H new ATOM 1852 N MET A 115 3.129 5.097 15.082 1.00 0.00 N ATOM 1853 CA MET A 115 3.085 3.707 14.643 1.00 0.00 C ATOM 1854 C MET A 115 1.691 3.122 14.836 1.00 0.00 C ATOM 1855 O MET A 115 1.154 2.466 13.943 1.00 0.00 O ATOM 1856 CB MET A 115 4.113 2.874 15.413 1.00 0.00 C ATOM 1857 CG MET A 115 5.554 3.240 15.092 1.00 0.00 C ATOM 1858 SD MET A 115 6.420 1.939 14.191 1.00 0.00 S ATOM 1859 CE MET A 115 7.518 2.913 13.163 1.00 0.00 C ATOM 0 H MET A 115 3.767 5.275 15.858 1.00 0.00 H new ATOM 0 HA MET A 115 3.328 3.678 13.581 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.944 3.001 16.482 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.956 1.819 15.188 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.569 4.156 14.502 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.086 3.450 16.020 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.868 2.306 12.328 1.00 0.00 H new ATOM 0 HE2 MET A 115 6.983 3.782 12.781 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.372 3.244 13.754 1.00 0.00 H new ATOM 1869 N GLU A 116 1.108 3.367 16.004 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.227 2.867 16.308 1.00 0.00 C ATOM 1871 C GLU A 116 -1.266 3.523 15.408 1.00 0.00 C ATOM 1872 O GLU A 116 -2.101 2.846 14.810 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.572 3.123 17.775 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.560 2.122 18.352 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.319 1.846 19.823 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.140 1.755 20.224 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.309 1.721 20.574 1.00 0.00 O ATOM 0 H GLU A 116 1.538 3.908 16.754 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.236 1.792 16.125 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.344 3.097 18.365 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.986 4.127 17.872 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.574 2.500 18.218 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.492 1.188 17.795 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.206 4.849 15.312 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.142 5.596 14.479 1.00 0.00 C ATOM 1886 C ALA A 117 -2.089 5.114 13.034 1.00 0.00 C ATOM 1887 O ALA A 117 -3.120 4.832 12.425 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.842 7.085 14.553 1.00 0.00 C ATOM 0 H ALA A 117 -0.521 5.426 15.800 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.149 5.422 14.858 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.548 7.630 13.927 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.935 7.424 15.585 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.827 7.270 14.201 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.880 5.009 12.493 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.697 4.547 11.124 1.00 0.00 C ATOM 1896 C LEU A 118 -1.245 3.134 10.964 1.00 0.00 C ATOM 1897 O LEU A 118 -1.702 2.750 9.888 1.00 0.00 O ATOM 1898 CB LEU A 118 0.788 4.585 10.742 1.00 0.00 C ATOM 1899 CG LEU A 118 1.268 5.861 10.036 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.409 7.061 10.412 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.728 6.129 10.369 1.00 0.00 C ATOM 0 H LEU A 118 -0.014 5.237 12.981 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.246 5.212 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.379 4.450 11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.998 3.734 10.094 1.00 0.00 H new ATOM 0 HG LEU A 118 1.172 5.707 8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.776 7.948 9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.625 6.874 10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.460 7.222 11.489 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.056 7.036 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.838 6.255 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.337 5.288 10.038 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.200 2.367 12.050 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.696 0.998 12.041 1.00 0.00 C ATOM 1915 C ARG A 119 -3.221 0.978 12.041 1.00 0.00 C ATOM 1916 O ARG A 119 -3.841 0.155 11.368 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.163 0.235 13.255 1.00 0.00 C ATOM 1918 CG ARG A 119 0.235 -0.326 13.056 1.00 0.00 C ATOM 1919 CD ARG A 119 0.898 -0.655 14.384 1.00 0.00 C ATOM 1920 NE ARG A 119 0.780 -2.073 14.718 1.00 0.00 N ATOM 1921 CZ ARG A 119 1.550 -3.025 14.195 1.00 0.00 C ATOM 1922 NH1 ARG A 119 2.492 -2.715 13.313 1.00 0.00 N ATOM 1923 NH2 ARG A 119 1.377 -4.289 14.555 1.00 0.00 N ATOM 0 H ARG A 119 -0.824 2.673 12.948 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.343 0.511 11.132 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.159 0.900 14.118 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.844 -0.584 13.487 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.183 -1.225 12.441 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.844 0.397 12.513 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.952 -0.379 14.341 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.444 -0.057 15.174 1.00 0.00 H new ATOM 0 HE ARG A 119 0.066 -2.350 15.391 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.629 -1.744 13.033 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.079 -3.448 12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.654 -4.532 15.232 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.967 -5.019 14.155 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.821 1.895 12.798 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.274 1.988 12.881 1.00 0.00 C ATOM 1939 C ILE A 120 -5.887 2.129 11.490 1.00 0.00 C ATOM 1940 O ILE A 120 -6.937 1.553 11.202 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.712 3.183 13.759 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.220 2.991 15.194 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.226 3.348 13.736 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.097 4.286 15.967 1.00 0.00 C ATOM 0 H ILE A 120 -3.322 2.583 13.362 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.632 1.067 13.341 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.266 4.090 13.351 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.906 2.327 15.719 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.249 2.495 15.174 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.509 4.195 14.361 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.557 3.525 12.713 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.697 2.442 14.118 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.743 4.075 16.976 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.388 4.944 15.464 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.071 4.773 16.018 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.219 2.891 10.631 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.693 3.099 9.269 1.00 0.00 C ATOM 1958 C ALA A 121 -5.693 1.787 8.495 1.00 0.00 C ATOM 1959 O ALA A 121 -6.650 1.470 7.789 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.833 4.135 8.562 1.00 0.00 C ATOM 0 H ALA A 121 -4.349 3.374 10.854 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.717 3.470 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.199 4.280 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.883 5.080 9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.800 3.789 8.529 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.611 1.026 8.636 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.503 -0.246 7.948 1.00 0.00 C ATOM 1968 C GLY A 122 -5.450 -1.291 8.507 1.00 0.00 C ATOM 1969 O GLY A 122 -5.826 -2.233 7.809 1.00 0.00 O ATOM 0 H GLY A 122 -3.807 1.269 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.712 -0.101 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.479 -0.611 8.024 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.837 -1.125 9.768 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.748 -2.061 10.417 1.00 0.00 C ATOM 1975 C HIS A 123 -8.073 -2.137 9.666 1.00 0.00 C ATOM 1976 O HIS A 123 -8.715 -3.187 9.622 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.995 -1.643 11.868 1.00 0.00 C ATOM 1978 CG HIS A 123 -5.992 -2.201 12.829 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -5.421 -3.448 12.684 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -5.455 -1.672 13.955 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -4.579 -3.662 13.679 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -4.580 -2.600 14.463 1.00 0.00 N ATOM 0 H HIS A 123 -5.534 -0.352 10.360 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.285 -3.048 10.405 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.981 -0.555 11.932 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.992 -1.967 12.167 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.674 -0.701 14.375 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -3.989 -4.555 13.826 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.021 -2.487 15.309 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.475 -1.018 9.073 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.722 -0.958 8.319 1.00 0.00 C ATOM 1993 C LYS A 124 -9.475 -1.163 6.824 1.00 0.00 C ATOM 1994 O LYS A 124 -10.416 -1.191 6.030 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.428 0.379 8.552 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.542 1.593 8.325 1.00 0.00 C ATOM 1997 CD LYS A 124 -10.254 2.877 8.716 1.00 0.00 C ATOM 1998 CE LYS A 124 -9.993 3.243 10.169 1.00 0.00 C ATOM 1999 NZ LYS A 124 -10.098 2.063 11.073 1.00 0.00 N ATOM 0 H LYS A 124 -7.956 -0.141 9.100 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.363 -1.765 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.291 0.443 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.808 0.405 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.626 1.491 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -9.250 1.642 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.921 3.689 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.326 2.762 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -8.999 3.680 10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.706 4.005 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.946 2.365 12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.044 1.640 10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.377 1.360 10.811 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.207 -1.311 6.444 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.846 -1.518 5.048 1.00 0.00 C ATOM 2015 C LEU A 125 -7.956 -2.993 4.673 1.00 0.00 C ATOM 2016 O LEU A 125 -7.866 -3.868 5.535 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.421 -1.023 4.789 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.264 0.496 4.703 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.821 0.868 4.393 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.201 1.070 3.653 1.00 0.00 C ATOM 0 H LEU A 125 -7.414 -1.291 7.086 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.541 -0.948 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.774 -1.394 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.065 -1.462 3.857 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.528 0.924 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.729 1.953 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.170 0.490 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.529 0.428 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.076 2.152 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.969 0.635 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.232 0.836 3.918 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.153 -3.291 3.378 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.275 -4.658 2.891 1.00 0.00 C ATOM 2034 C PRO A 126 -6.927 -5.267 2.512 1.00 0.00 C ATOM 2035 O PRO A 126 -6.860 -6.188 1.696 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.150 -4.483 1.655 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.782 -3.138 1.116 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.276 -2.315 2.280 1.00 0.00 C ATOM 0 HA PRO A 126 -8.682 -5.336 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.962 -5.268 0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.209 -4.531 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.016 -3.228 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.645 -2.660 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.318 -1.847 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -8.970 -1.513 2.534 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.856 -4.747 3.105 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.512 -5.240 2.822 1.00 0.00 C ATOM 2048 C ILE A 127 -3.580 -5.020 4.009 1.00 0.00 C ATOM 2049 O ILE A 127 -3.907 -4.285 4.941 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.909 -4.556 1.580 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.191 -3.052 1.602 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.463 -5.187 0.312 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.350 -2.294 2.605 1.00 0.00 C ATOM 0 H ILE A 127 -5.893 -3.986 3.783 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.606 -6.309 2.630 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.828 -4.698 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.013 -2.643 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.245 -2.891 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.029 -4.695 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.211 -6.247 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.547 -5.072 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.603 -1.235 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.545 -2.677 3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.294 -2.424 2.367 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.418 -5.664 3.966 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.435 -5.541 5.035 1.00 0.00 C ATOM 2067 C LYS A 128 -0.606 -4.272 4.867 1.00 0.00 C ATOM 2068 O LYS A 128 -0.110 -3.981 3.778 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.517 -6.765 5.056 1.00 0.00 C ATOM 2070 CG LYS A 128 0.487 -6.752 6.198 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.050 -7.483 7.418 1.00 0.00 C ATOM 2072 CE LYS A 128 0.940 -7.443 8.572 1.00 0.00 C ATOM 2073 NZ LYS A 128 1.016 -8.748 9.283 1.00 0.00 N ATOM 0 H LYS A 128 -2.135 -6.277 3.201 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.971 -5.481 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.127 -7.665 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.022 -6.821 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.417 -7.219 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.724 -5.722 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -0.992 -7.031 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.265 -8.519 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 128 1.927 -7.177 8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.647 -6.663 9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.701 -8.679 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 0.080 -8.990 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 1.320 -9.488 8.619 1.00 0.00 H new ATOM 2087 N THR A 129 -0.461 -3.520 5.953 1.00 0.00 N ATOM 2088 CA THR A 129 0.307 -2.280 5.929 1.00 0.00 C ATOM 2089 C THR A 129 1.223 -2.188 7.145 1.00 0.00 C ATOM 2090 O THR A 129 0.876 -2.658 8.229 1.00 0.00 O ATOM 2091 CB THR A 129 -0.631 -1.076 5.896 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.259 -0.896 7.153 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.720 -1.192 4.853 1.00 0.00 C ATOM 0 H THR A 129 -0.865 -3.748 6.861 1.00 0.00 H new ATOM 0 HA THR A 129 0.921 -2.279 5.029 1.00 0.00 H new ATOM 0 HB THR A 129 0.002 -0.225 5.643 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.646 -1.746 7.450 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.350 -0.303 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.269 -1.283 3.865 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.327 -2.074 5.057 1.00 0.00 H new ATOM 2101 N LYS A 130 2.389 -1.573 6.967 1.00 0.00 N ATOM 2102 CA LYS A 130 3.341 -1.421 8.062 1.00 0.00 C ATOM 2103 C LYS A 130 3.823 0.023 8.166 1.00 0.00 C ATOM 2104 O LYS A 130 3.738 0.787 7.204 1.00 0.00 O ATOM 2105 CB LYS A 130 4.533 -2.363 7.877 1.00 0.00 C ATOM 2106 CG LYS A 130 5.152 -2.299 6.491 1.00 0.00 C ATOM 2107 CD LYS A 130 6.648 -2.034 6.555 1.00 0.00 C ATOM 2108 CE LYS A 130 7.233 -1.803 5.172 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.567 -2.446 5.018 1.00 0.00 N ATOM 0 H LYS A 130 2.696 -1.174 6.080 1.00 0.00 H new ATOM 0 HA LYS A 130 2.831 -1.683 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.295 -2.120 8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.211 -3.385 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.971 -3.238 5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.668 -1.513 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.838 -1.162 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.148 -2.880 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.551 -2.198 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.323 -0.732 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.931 -2.265 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.226 -2.052 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.477 -3.472 5.166 1.00 0.00 H new ATOM 2123 N ILE A 131 4.325 0.393 9.341 1.00 0.00 N ATOM 2124 CA ILE A 131 4.816 1.748 9.570 1.00 0.00 C ATOM 2125 C ILE A 131 6.262 1.894 9.111 1.00 0.00 C ATOM 2126 O ILE A 131 7.095 1.023 9.362 1.00 0.00 O ATOM 2127 CB ILE A 131 4.733 2.147 11.060 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.511 1.512 11.730 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.695 3.662 11.201 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.204 1.829 11.036 1.00 0.00 C ATOM 0 H ILE A 131 4.402 -0.226 10.148 1.00 0.00 H new ATOM 0 HA ILE A 131 4.174 2.409 8.988 1.00 0.00 H new ATOM 0 HB ILE A 131 5.625 1.773 11.564 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.644 0.431 11.758 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.456 1.854 12.764 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.637 3.928 12.256 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.599 4.090 10.768 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.822 4.054 10.679 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.384 1.346 11.567 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.047 2.908 11.031 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.239 1.462 10.010 1.00 0.00 H new ATOM 2142 N VAL A 132 6.556 3.002 8.439 1.00 0.00 N ATOM 2143 CA VAL A 132 7.903 3.262 7.951 1.00 0.00 C ATOM 2144 C VAL A 132 8.284 4.729 8.134 1.00 0.00 C ATOM 2145 O VAL A 132 7.462 5.626 7.950 1.00 0.00 O ATOM 2146 CB VAL A 132 8.049 2.875 6.467 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.709 1.408 6.266 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.170 3.754 5.591 1.00 0.00 C ATOM 0 H VAL A 132 5.879 3.733 8.221 1.00 0.00 H new ATOM 0 HA VAL A 132 8.579 2.644 8.542 1.00 0.00 H new ATOM 0 HB VAL A 132 9.086 3.033 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.817 1.151 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.384 0.793 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.681 1.226 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.289 3.463 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.127 3.633 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.463 4.797 5.712 1.00 0.00 H new ATOM 2158 N ARG A 133 9.538 4.959 8.502 1.00 0.00 N ATOM 2159 CA ARG A 133 10.049 6.308 8.722 1.00 0.00 C ATOM 2160 C ARG A 133 10.595 6.914 7.441 1.00 0.00 C ATOM 2161 O ARG A 133 10.830 6.212 6.460 1.00 0.00 O ATOM 2162 CB ARG A 133 11.161 6.300 9.759 1.00 0.00 C ATOM 2163 CG ARG A 133 11.000 7.357 10.839 1.00 0.00 C ATOM 2164 CD ARG A 133 11.644 6.921 12.145 1.00 0.00 C ATOM 2165 NE ARG A 133 11.726 8.018 13.107 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.563 8.036 14.143 1.00 0.00 C ATOM 2167 NH1 ARG A 133 13.388 7.018 14.357 1.00 0.00 N ATOM 2168 NH2 ARG A 133 12.574 9.074 14.967 1.00 0.00 N ATOM 0 H ARG A 133 10.226 4.222 8.656 1.00 0.00 H new ATOM 0 HA ARG A 133 9.211 6.909 9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.200 5.317 10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.116 6.451 9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.450 8.292 10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.940 7.553 11.002 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.069 6.102 12.577 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.645 6.538 11.946 1.00 0.00 H new ATOM 0 HE ARG A 133 11.106 8.817 12.977 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.383 6.216 13.726 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.027 7.038 15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.942 9.858 14.808 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.215 9.088 15.761 1.00 0.00 H new