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 180:sc= 0.0414 USER MOD Set 1.2: A 46 GLN : amide:sc= -1.66 K(o=-1.6,f=-12!) USER MOD Set 2.1: A 32 TYR OH : rot 165:sc= -0.643 USER MOD Set 2.2: A 115 MET CE :methyl -161:sc= -0.57 (180deg=-1.26) USER MOD Single : A 45 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.19) USER MOD Single : A 54 MET CE :methyl -116:sc= -9.29! (180deg=-12!) USER MOD Single : A 57 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-4.9) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc=-0.00806 (180deg=-0.0902) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -121:sc= -5.09! (180deg=-10.7!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 113 GLN : amide:sc= -0.814 K(o=-0.81,f=-9.2!) USER MOD Single : A 123 HIS : no HD1:sc= -2.96 K(o=-3,f=-4.3!) USER MOD Single : A 124 LYS NZ :NH3+ 151:sc= -0.516 (180deg=-2.24!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -60:sc= -0.66 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.561 12.301 8.956 1.00 0.00 N ATOM 508 CA ASP A 31 8.614 11.504 9.575 1.00 0.00 C ATOM 509 C ASP A 31 8.322 10.013 9.430 1.00 0.00 C ATOM 510 O ASP A 31 9.239 9.196 9.347 1.00 0.00 O ATOM 511 CB ASP A 31 8.756 11.866 11.055 1.00 0.00 C ATOM 512 CG ASP A 31 9.403 13.222 11.258 1.00 0.00 C ATOM 513 OD1 ASP A 31 10.564 13.395 10.831 1.00 0.00 O ATOM 514 OD2 ASP A 31 8.750 14.110 11.845 1.00 0.00 O ATOM 0 HA ASP A 31 9.551 11.725 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.772 11.862 11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.351 11.103 11.557 1.00 0.00 H new ATOM 519 N TYR A 32 7.040 9.669 9.397 1.00 0.00 N ATOM 520 CA TYR A 32 6.622 8.279 9.259 1.00 0.00 C ATOM 521 C TYR A 32 5.779 8.096 8.003 1.00 0.00 C ATOM 522 O TYR A 32 5.391 9.070 7.358 1.00 0.00 O ATOM 523 CB TYR A 32 5.827 7.840 10.485 1.00 0.00 C ATOM 524 CG TYR A 32 6.691 7.373 11.632 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.728 6.470 11.429 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.464 7.831 12.923 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.512 6.038 12.480 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.246 7.406 13.979 1.00 0.00 C ATOM 529 CZ TYR A 32 8.268 6.508 13.753 1.00 0.00 C ATOM 530 OH TYR A 32 9.048 6.080 14.802 1.00 0.00 O ATOM 0 H TYR A 32 6.270 10.335 9.464 1.00 0.00 H new ATOM 0 HA TYR A 32 7.515 7.660 9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.208 8.671 10.823 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.151 7.034 10.199 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.924 6.100 10.433 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.662 8.532 13.104 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.313 5.335 12.306 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.058 7.775 14.977 1.00 0.00 H new ATOM 0 HH TYR A 32 8.913 6.670 15.572 1.00 0.00 H new ATOM 540 N GLY A 33 5.498 6.844 7.659 1.00 0.00 N ATOM 541 CA GLY A 33 4.704 6.568 6.480 1.00 0.00 C ATOM 542 C GLY A 33 4.070 5.192 6.505 1.00 0.00 C ATOM 543 O GLY A 33 4.745 4.193 6.752 1.00 0.00 O ATOM 0 H GLY A 33 5.805 6.019 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.921 7.321 6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.334 6.656 5.595 1.00 0.00 H new ATOM 547 N LEU A 34 2.769 5.141 6.236 1.00 0.00 N ATOM 548 CA LEU A 34 2.043 3.879 6.214 1.00 0.00 C ATOM 549 C LEU A 34 2.052 3.301 4.806 1.00 0.00 C ATOM 550 O LEU A 34 1.457 3.868 3.888 1.00 0.00 O ATOM 551 CB LEU A 34 0.601 4.081 6.691 1.00 0.00 C ATOM 552 CG LEU A 34 -0.129 2.817 7.157 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.678 2.052 5.963 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.791 1.928 7.986 1.00 0.00 C ATOM 0 H LEU A 34 2.197 5.960 6.030 1.00 0.00 H new ATOM 0 HA LEU A 34 2.536 3.180 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.607 4.798 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.029 4.530 5.879 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.963 3.120 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.194 1.157 6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.377 2.684 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.143 1.766 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.248 1.038 8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.651 1.633 7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.133 2.477 8.863 1.00 0.00 H new ATOM 566 N VAL A 35 2.746 2.182 4.638 1.00 0.00 N ATOM 567 CA VAL A 35 2.854 1.540 3.337 1.00 0.00 C ATOM 568 C VAL A 35 1.924 0.342 3.210 1.00 0.00 C ATOM 569 O VAL A 35 1.702 -0.393 4.170 1.00 0.00 O ATOM 570 CB VAL A 35 4.293 1.064 3.064 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.777 0.163 4.190 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.373 0.339 1.729 1.00 0.00 C ATOM 0 H VAL A 35 3.242 1.701 5.388 1.00 0.00 H new ATOM 0 HA VAL A 35 2.567 2.296 2.606 1.00 0.00 H new ATOM 0 HB VAL A 35 4.942 1.939 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.795 -0.165 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.758 0.714 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.124 -0.707 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.398 0.010 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.712 -0.527 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.067 1.014 0.930 1.00 0.00 H new ATOM 582 N ALA A 36 1.415 0.140 2.003 1.00 0.00 N ATOM 583 CA ALA A 36 0.539 -0.982 1.717 1.00 0.00 C ATOM 584 C ALA A 36 1.349 -2.116 1.099 1.00 0.00 C ATOM 585 O ALA A 36 1.901 -1.967 0.009 1.00 0.00 O ATOM 586 CB ALA A 36 -0.585 -0.553 0.786 1.00 0.00 C ATOM 0 H ALA A 36 1.597 0.745 1.202 1.00 0.00 H new ATOM 0 HA ALA A 36 0.091 -1.334 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.233 -1.405 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.166 0.239 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.163 -0.185 -0.149 1.00 0.00 H new ATOM 592 N LEU A 37 1.434 -3.237 1.809 1.00 0.00 N ATOM 593 CA LEU A 37 2.197 -4.391 1.338 1.00 0.00 C ATOM 594 C LEU A 37 1.346 -5.324 0.478 1.00 0.00 C ATOM 595 O LEU A 37 1.686 -6.492 0.298 1.00 0.00 O ATOM 596 CB LEU A 37 2.764 -5.163 2.529 1.00 0.00 C ATOM 597 CG LEU A 37 3.326 -4.293 3.653 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.399 -5.079 4.952 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.697 -3.756 3.271 1.00 0.00 C ATOM 0 H LEU A 37 0.984 -3.372 2.714 1.00 0.00 H new ATOM 0 HA LEU A 37 3.012 -4.016 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.978 -5.798 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.554 -5.824 2.172 1.00 0.00 H new ATOM 0 HG LEU A 37 2.655 -3.447 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.802 -4.443 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.400 -5.414 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.048 -5.944 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.084 -3.138 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.377 -4.589 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.613 -3.156 2.365 1.00 0.00 H new ATOM 611 N GLU A 38 0.243 -4.808 -0.055 1.00 0.00 N ATOM 612 CA GLU A 38 -0.641 -5.607 -0.894 1.00 0.00 C ATOM 613 C GLU A 38 -1.592 -4.711 -1.685 1.00 0.00 C ATOM 614 O GLU A 38 -2.073 -3.701 -1.172 1.00 0.00 O ATOM 615 CB GLU A 38 -1.435 -6.595 -0.037 1.00 0.00 C ATOM 616 CG GLU A 38 -1.628 -7.952 -0.693 1.00 0.00 C ATOM 617 CD GLU A 38 -1.744 -9.077 0.317 1.00 0.00 C ATOM 618 OE1 GLU A 38 -2.704 -9.059 1.116 1.00 0.00 O ATOM 619 OE2 GLU A 38 -0.875 -9.973 0.310 1.00 0.00 O ATOM 0 H GLU A 38 -0.059 -3.843 0.079 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.029 -6.167 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.922 -6.731 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.412 -6.166 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.526 -7.929 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.789 -8.152 -1.359 1.00 0.00 H new ATOM 626 N PRO A 39 -1.873 -5.066 -2.951 1.00 0.00 N ATOM 627 CA PRO A 39 -2.767 -4.281 -3.809 1.00 0.00 C ATOM 628 C PRO A 39 -4.213 -4.309 -3.328 1.00 0.00 C ATOM 629 O PRO A 39 -4.729 -5.356 -2.936 1.00 0.00 O ATOM 630 CB PRO A 39 -2.645 -4.961 -5.175 1.00 0.00 C ATOM 631 CG PRO A 39 -2.205 -6.351 -4.872 1.00 0.00 C ATOM 632 CD PRO A 39 -1.340 -6.252 -3.647 1.00 0.00 C ATOM 0 HA PRO A 39 -2.493 -3.226 -3.818 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.597 -4.955 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.923 -4.447 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.061 -7.002 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.650 -6.776 -5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.413 -7.147 -3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.288 -6.128 -3.906 1.00 0.00 H new ATOM 640 N ALA A 40 -4.863 -3.148 -3.360 1.00 0.00 N ATOM 641 CA ALA A 40 -6.251 -3.038 -2.928 1.00 0.00 C ATOM 642 C ALA A 40 -6.866 -1.718 -3.381 1.00 0.00 C ATOM 643 O ALA A 40 -6.172 -0.840 -3.894 1.00 0.00 O ATOM 644 CB ALA A 40 -6.344 -3.173 -1.416 1.00 0.00 C ATOM 0 H ALA A 40 -4.450 -2.272 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.814 -3.848 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.386 -3.089 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.953 -4.144 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.760 -2.383 -0.944 1.00 0.00 H new ATOM 650 N TRP A 41 -8.174 -1.585 -3.183 1.00 0.00 N ATOM 651 CA TRP A 41 -8.888 -0.372 -3.564 1.00 0.00 C ATOM 652 C TRP A 41 -9.359 0.386 -2.327 1.00 0.00 C ATOM 653 O TRP A 41 -10.287 -0.044 -1.641 1.00 0.00 O ATOM 654 CB TRP A 41 -10.086 -0.717 -4.450 1.00 0.00 C ATOM 655 CG TRP A 41 -9.703 -1.366 -5.744 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.646 -1.039 -6.543 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.373 -2.454 -6.391 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.617 -1.856 -7.647 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.668 -2.734 -7.576 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.502 -3.219 -6.082 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.054 -3.746 -8.452 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.884 -4.223 -6.952 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.162 -4.479 -8.124 1.00 0.00 C ATOM 0 H TRP A 41 -8.761 -2.304 -2.760 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.203 0.265 -4.124 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.754 -1.382 -3.902 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.646 0.194 -4.661 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.935 -0.252 -6.337 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.927 -1.816 -8.397 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.065 -3.029 -5.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.499 -3.945 -9.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.754 -4.820 -6.724 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.486 -5.271 -8.783 1.00 0.00 H new ATOM 674 N ILE A 42 -8.712 1.510 -2.043 1.00 0.00 N ATOM 675 CA ILE A 42 -9.068 2.319 -0.884 1.00 0.00 C ATOM 676 C ILE A 42 -10.236 3.248 -1.194 1.00 0.00 C ATOM 677 O ILE A 42 -10.165 4.070 -2.107 1.00 0.00 O ATOM 678 CB ILE A 42 -7.876 3.165 -0.395 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.607 2.311 -0.323 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.187 3.778 0.963 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.686 1.194 0.695 1.00 0.00 C ATOM 0 H ILE A 42 -7.940 1.881 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.358 1.622 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.705 3.972 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.411 1.882 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.760 2.953 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.337 4.373 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -9.067 4.416 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.380 2.984 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.753 0.631 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.851 1.616 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.512 0.529 0.442 1.00 0.00 H new ATOM 693 N THR A 43 -11.311 3.109 -0.425 1.00 0.00 N ATOM 694 CA THR A 43 -12.499 3.934 -0.612 1.00 0.00 C ATOM 695 C THR A 43 -12.305 5.314 -0.001 1.00 0.00 C ATOM 696 O THR A 43 -11.306 5.574 0.670 1.00 0.00 O ATOM 697 CB THR A 43 -13.715 3.259 0.021 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.332 2.491 1.148 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.450 2.344 -0.929 1.00 0.00 C ATOM 0 H THR A 43 -11.384 2.432 0.334 1.00 0.00 H new ATOM 0 HA THR A 43 -12.665 4.048 -1.683 1.00 0.00 H new ATOM 0 HB THR A 43 -14.382 4.072 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.124 2.068 1.540 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.302 1.897 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.802 2.917 -1.787 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.777 1.557 -1.269 1.00 0.00 H new ATOM 707 N ALA A 44 -13.271 6.194 -0.234 1.00 0.00 N ATOM 708 CA ALA A 44 -13.210 7.547 0.299 1.00 0.00 C ATOM 709 C ALA A 44 -13.196 7.527 1.822 1.00 0.00 C ATOM 710 O ALA A 44 -12.431 8.256 2.455 1.00 0.00 O ATOM 711 CB ALA A 44 -14.385 8.369 -0.211 1.00 0.00 C ATOM 0 H ALA A 44 -14.104 5.994 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.285 8.010 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.327 9.379 0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.352 8.414 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.319 7.904 0.105 1.00 0.00 H new ATOM 717 N GLN A 45 -14.048 6.690 2.407 1.00 0.00 N ATOM 718 CA GLN A 45 -14.148 6.566 3.831 1.00 0.00 C ATOM 719 C GLN A 45 -12.831 6.136 4.464 1.00 0.00 C ATOM 720 O GLN A 45 -12.452 6.637 5.511 1.00 0.00 O ATOM 721 CB GLN A 45 -15.232 5.551 4.125 1.00 0.00 C ATOM 722 CG GLN A 45 -16.412 6.139 4.853 1.00 0.00 C ATOM 723 CD GLN A 45 -16.538 5.640 6.279 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.710 6.425 7.211 1.00 0.00 O ATOM 725 NE2 GLN A 45 -16.453 4.326 6.457 1.00 0.00 N ATOM 0 H GLN A 45 -14.685 6.083 1.891 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.393 7.537 4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.573 5.112 3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.811 4.742 4.722 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.322 7.225 4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.325 5.898 4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.310 3.711 5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.531 3.932 7.395 1.00 0.00 H new ATOM 734 N GLN A 46 -12.136 5.204 3.832 1.00 0.00 N ATOM 735 CA GLN A 46 -10.872 4.719 4.371 1.00 0.00 C ATOM 736 C GLN A 46 -9.872 5.862 4.525 1.00 0.00 C ATOM 737 O GLN A 46 -9.070 5.875 5.459 1.00 0.00 O ATOM 738 CB GLN A 46 -10.292 3.623 3.475 1.00 0.00 C ATOM 739 CG GLN A 46 -10.636 2.218 3.942 1.00 0.00 C ATOM 740 CD GLN A 46 -10.735 1.230 2.796 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.780 1.616 1.629 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.770 -0.056 3.127 1.00 0.00 N ATOM 0 H GLN A 46 -12.420 4.771 2.954 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.065 4.297 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.662 3.761 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.208 3.730 3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.877 1.877 4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.583 2.240 4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.730 -0.331 4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.837 -0.768 2.400 1.00 0.00 H new ATOM 751 N ILE A 47 -9.923 6.818 3.606 1.00 0.00 N ATOM 752 CA ILE A 47 -9.022 7.962 3.647 1.00 0.00 C ATOM 753 C ILE A 47 -9.381 8.920 4.783 1.00 0.00 C ATOM 754 O ILE A 47 -8.513 9.327 5.557 1.00 0.00 O ATOM 755 CB ILE A 47 -9.031 8.734 2.313 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.814 7.773 1.142 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.966 9.820 2.320 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.308 8.314 -0.184 1.00 0.00 C ATOM 0 H ILE A 47 -10.578 6.824 2.824 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.023 7.564 3.822 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.004 9.210 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.751 7.547 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.324 6.833 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.986 10.355 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.163 10.517 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.985 9.366 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.122 7.580 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.378 8.513 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.780 9.238 -0.419 1.00 0.00 H new ATOM 770 N GLU A 48 -10.656 9.282 4.875 1.00 0.00 N ATOM 771 CA GLU A 48 -11.118 10.199 5.914 1.00 0.00 C ATOM 772 C GLU A 48 -11.386 9.468 7.228 1.00 0.00 C ATOM 773 O GLU A 48 -10.964 9.913 8.295 1.00 0.00 O ATOM 774 CB GLU A 48 -12.386 10.922 5.457 1.00 0.00 C ATOM 775 CG GLU A 48 -12.579 12.282 6.110 1.00 0.00 C ATOM 776 CD GLU A 48 -11.392 13.202 5.899 1.00 0.00 C ATOM 777 OE1 GLU A 48 -11.329 13.856 4.837 1.00 0.00 O ATOM 778 OE2 GLU A 48 -10.525 13.268 6.796 1.00 0.00 O ATOM 0 H GLU A 48 -11.388 8.956 4.244 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.326 10.928 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.352 11.049 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.251 10.296 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.475 12.752 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.745 12.148 7.179 1.00 0.00 H new ATOM 785 N ALA A 49 -12.092 8.344 7.142 1.00 0.00 N ATOM 786 CA ALA A 49 -12.422 7.549 8.322 1.00 0.00 C ATOM 787 C ALA A 49 -11.167 7.185 9.108 1.00 0.00 C ATOM 788 O ALA A 49 -11.121 7.332 10.329 1.00 0.00 O ATOM 789 CB ALA A 49 -13.183 6.289 7.922 1.00 0.00 C ATOM 0 H ALA A 49 -12.447 7.962 6.266 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.061 8.153 8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.421 5.709 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.106 6.567 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.567 5.689 7.252 1.00 0.00 H new ATOM 795 N ALA A 50 -10.148 6.713 8.398 1.00 0.00 N ATOM 796 CA ALA A 50 -8.890 6.333 9.027 1.00 0.00 C ATOM 797 C ALA A 50 -8.222 7.539 9.679 1.00 0.00 C ATOM 798 O ALA A 50 -7.719 7.453 10.799 1.00 0.00 O ATOM 799 CB ALA A 50 -7.959 5.699 8.006 1.00 0.00 C ATOM 0 H ALA A 50 -10.169 6.585 7.386 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.105 5.602 9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.023 5.420 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.430 4.810 7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.756 6.412 7.207 1.00 0.00 H new ATOM 805 N ARG A 51 -8.225 8.664 8.971 1.00 0.00 N ATOM 806 CA ARG A 51 -7.622 9.890 9.482 1.00 0.00 C ATOM 807 C ARG A 51 -8.287 10.315 10.787 1.00 0.00 C ATOM 808 O ARG A 51 -7.616 10.739 11.729 1.00 0.00 O ATOM 809 CB ARG A 51 -7.735 11.011 8.445 1.00 0.00 C ATOM 810 CG ARG A 51 -6.466 11.219 7.634 1.00 0.00 C ATOM 811 CD ARG A 51 -6.207 12.694 7.374 1.00 0.00 C ATOM 812 NE ARG A 51 -7.030 13.210 6.283 1.00 0.00 N ATOM 813 CZ ARG A 51 -7.278 14.503 6.088 1.00 0.00 C ATOM 814 NH1 ARG A 51 -6.767 15.415 6.906 1.00 0.00 N ATOM 815 NH2 ARG A 51 -8.039 14.887 5.071 1.00 0.00 N ATOM 0 H ARG A 51 -8.638 8.752 8.042 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.568 9.696 9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.557 10.785 7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.988 11.941 8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.618 10.788 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.549 10.690 6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.409 13.263 8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.154 12.840 7.134 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.439 12.540 5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.181 15.126 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.961 16.404 6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.434 14.191 4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.229 15.878 4.922 1.00 0.00 H new ATOM 829 N VAL A 52 -9.610 10.196 10.837 1.00 0.00 N ATOM 830 CA VAL A 52 -10.367 10.565 12.028 1.00 0.00 C ATOM 831 C VAL A 52 -9.912 9.754 13.235 1.00 0.00 C ATOM 832 O VAL A 52 -9.789 10.281 14.341 1.00 0.00 O ATOM 833 CB VAL A 52 -11.880 10.354 11.818 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.662 10.851 13.025 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.346 11.048 10.547 1.00 0.00 C ATOM 0 H VAL A 52 -10.180 9.847 10.067 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.179 11.623 12.212 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.067 9.286 11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.728 10.694 12.858 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.349 10.302 13.913 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.471 11.914 13.170 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.416 10.888 10.416 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.146 12.117 10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.810 10.638 9.691 1.00 0.00 H new ATOM 845 N ALA A 53 -9.664 8.467 13.016 1.00 0.00 N ATOM 846 CA ALA A 53 -9.222 7.580 14.083 1.00 0.00 C ATOM 847 C ALA A 53 -7.793 7.900 14.506 1.00 0.00 C ATOM 848 O ALA A 53 -7.452 7.828 15.687 1.00 0.00 O ATOM 849 CB ALA A 53 -9.330 6.129 13.637 1.00 0.00 C ATOM 0 H ALA A 53 -9.762 8.015 12.107 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.871 7.735 14.945 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.997 5.475 14.443 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.367 5.901 13.389 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.704 5.971 12.759 1.00 0.00 H new ATOM 855 N MET A 54 -6.961 8.256 13.534 1.00 0.00 N ATOM 856 CA MET A 54 -5.567 8.589 13.801 1.00 0.00 C ATOM 857 C MET A 54 -5.451 9.924 14.529 1.00 0.00 C ATOM 858 O MET A 54 -4.753 10.035 15.536 1.00 0.00 O ATOM 859 CB MET A 54 -4.775 8.637 12.494 1.00 0.00 C ATOM 860 CG MET A 54 -4.652 7.286 11.812 1.00 0.00 C ATOM 861 SD MET A 54 -3.384 7.267 10.531 1.00 0.00 S ATOM 862 CE MET A 54 -4.310 7.896 9.133 1.00 0.00 C ATOM 0 H MET A 54 -7.228 8.321 12.552 1.00 0.00 H new ATOM 0 HA MET A 54 -5.152 7.812 14.443 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.257 9.337 11.812 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.777 9.025 12.697 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.420 6.526 12.559 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.612 7.017 11.371 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.374 7.127 8.363 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.314 8.170 9.456 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.806 8.774 8.728 1.00 0.00 H new ATOM 872 N VAL A 55 -6.140 10.936 14.011 1.00 0.00 N ATOM 873 CA VAL A 55 -6.114 12.266 14.611 1.00 0.00 C ATOM 874 C VAL A 55 -6.556 12.221 16.071 1.00 0.00 C ATOM 875 O VAL A 55 -6.030 12.949 16.912 1.00 0.00 O ATOM 876 CB VAL A 55 -7.019 13.245 13.840 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.905 14.650 14.415 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.673 13.240 12.358 1.00 0.00 C ATOM 0 H VAL A 55 -6.723 10.861 13.177 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.083 12.617 14.559 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.052 12.915 13.951 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.552 15.326 13.856 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.208 14.640 15.462 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.873 14.991 14.340 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.323 13.938 11.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.634 13.541 12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.814 12.237 11.955 1.00 0.00 H new ATOM 888 N ARG A 56 -7.529 11.365 16.362 1.00 0.00 N ATOM 889 CA ARG A 56 -8.045 11.225 17.719 1.00 0.00 C ATOM 890 C ARG A 56 -7.071 10.454 18.606 1.00 0.00 C ATOM 891 O ARG A 56 -7.021 10.665 19.817 1.00 0.00 O ATOM 892 CB ARG A 56 -9.400 10.516 17.695 1.00 0.00 C ATOM 893 CG ARG A 56 -10.571 11.451 17.440 1.00 0.00 C ATOM 894 CD ARG A 56 -11.809 10.687 16.997 1.00 0.00 C ATOM 895 NE ARG A 56 -13.000 11.099 17.737 1.00 0.00 N ATOM 896 CZ ARG A 56 -14.112 10.371 17.817 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.191 9.198 17.202 1.00 0.00 N ATOM 898 NH2 ARG A 56 -15.148 10.818 18.513 1.00 0.00 N ATOM 0 H ARG A 56 -7.977 10.757 15.676 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.166 12.224 18.137 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.385 9.747 16.923 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.552 10.008 18.647 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.794 12.012 18.347 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.298 12.178 16.675 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.971 10.846 15.931 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.646 9.619 17.138 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.978 11.997 18.221 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.397 8.850 16.664 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.045 8.645 17.267 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.093 11.719 18.987 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.000 10.260 18.574 1.00 0.00 H new ATOM 912 N HIS A 57 -6.306 9.554 17.997 1.00 0.00 N ATOM 913 CA HIS A 57 -5.340 8.747 18.735 1.00 0.00 C ATOM 914 C HIS A 57 -4.244 9.615 19.345 1.00 0.00 C ATOM 915 O HIS A 57 -3.985 9.548 20.547 1.00 0.00 O ATOM 916 CB HIS A 57 -4.720 7.690 17.818 1.00 0.00 C ATOM 917 CG HIS A 57 -4.147 6.522 18.559 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.777 5.927 19.630 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.991 5.839 18.378 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.035 4.929 20.077 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.946 4.854 19.334 1.00 0.00 N ATOM 0 H HIS A 57 -6.336 9.365 16.995 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.871 8.250 19.547 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.479 7.332 17.123 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.934 8.153 17.221 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.676 6.212 20.018 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.244 6.033 17.623 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.278 4.284 20.909 1.00 0.00 H new ATOM 930 N PHE A 58 -3.598 10.426 18.511 1.00 0.00 N ATOM 931 CA PHE A 58 -2.525 11.302 18.975 1.00 0.00 C ATOM 932 C PHE A 58 -2.988 12.161 20.149 1.00 0.00 C ATOM 933 O PHE A 58 -3.793 13.076 19.982 1.00 0.00 O ATOM 934 CB PHE A 58 -2.036 12.201 17.836 1.00 0.00 C ATOM 935 CG PHE A 58 -1.850 11.477 16.532 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.882 10.494 16.401 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.643 11.781 15.439 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.711 9.827 15.203 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.476 11.118 14.238 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.508 10.140 14.120 1.00 0.00 C ATOM 0 H PHE A 58 -3.798 10.495 17.513 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.702 10.671 19.310 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.750 13.012 17.693 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.090 12.658 18.126 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.254 10.247 17.244 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.401 12.545 15.526 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.046 9.061 15.114 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.102 11.364 13.393 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.375 9.621 13.182 1.00 0.00 H new ATOM 950 N ARG A 59 -2.476 11.855 21.337 1.00 0.00 N ATOM 951 CA ARG A 59 -2.838 12.597 22.539 1.00 0.00 C ATOM 952 C ARG A 59 -2.314 14.027 22.477 1.00 0.00 C ATOM 953 O ARG A 59 -2.974 14.961 22.932 1.00 0.00 O ATOM 954 CB ARG A 59 -2.292 11.894 23.782 1.00 0.00 C ATOM 955 CG ARG A 59 -2.766 10.456 23.925 1.00 0.00 C ATOM 956 CD ARG A 59 -2.604 9.954 25.351 1.00 0.00 C ATOM 957 NE ARG A 59 -2.030 8.612 25.398 1.00 0.00 N ATOM 958 CZ ARG A 59 -2.099 7.813 26.460 1.00 0.00 C ATOM 959 NH1 ARG A 59 -2.715 8.218 27.564 1.00 0.00 N ATOM 960 NH2 ARG A 59 -1.552 6.606 26.418 1.00 0.00 N ATOM 0 H ARG A 59 -1.810 11.099 21.493 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.926 12.632 22.599 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.203 11.907 23.748 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.590 12.456 24.667 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.813 10.386 23.631 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.201 9.817 23.247 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.965 10.641 25.907 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.575 9.950 25.846 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.548 8.267 24.568 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.138 9.145 27.601 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.765 7.602 28.375 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.078 6.290 25.572 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.605 5.994 27.232 1.00 0.00 H new ATOM 974 N ARG A 60 -1.122 14.190 21.914 1.00 0.00 N ATOM 975 CA ARG A 60 -0.507 15.507 21.793 1.00 0.00 C ATOM 976 C ARG A 60 -0.733 16.087 20.401 1.00 0.00 C ATOM 977 O ARG A 60 0.113 16.810 19.874 1.00 0.00 O ATOM 978 CB ARG A 60 0.991 15.423 22.086 1.00 0.00 C ATOM 979 CG ARG A 60 1.312 14.818 23.444 1.00 0.00 C ATOM 980 CD ARG A 60 2.565 13.960 23.390 1.00 0.00 C ATOM 981 NE ARG A 60 3.131 13.733 24.718 1.00 0.00 N ATOM 982 CZ ARG A 60 4.319 13.172 24.932 1.00 0.00 C ATOM 983 NH1 ARG A 60 5.069 12.778 23.910 1.00 0.00 N ATOM 984 NH2 ARG A 60 4.758 13.003 26.171 1.00 0.00 N ATOM 0 H ARG A 60 -0.562 13.427 21.534 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.976 16.167 22.523 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.472 14.828 21.310 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.420 16.424 22.033 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.447 15.615 24.176 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.470 14.214 23.782 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.328 13.001 22.928 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.309 14.444 22.757 1.00 0.00 H new ATOM 0 HE ARG A 60 2.583 14.021 25.529 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.736 12.905 22.954 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.978 12.349 24.080 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.186 13.303 26.960 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.668 12.573 26.335 1.00 0.00 H new ATOM 998 N GLY A 61 -1.878 15.765 19.809 1.00 0.00 N ATOM 999 CA GLY A 61 -2.194 16.263 18.484 1.00 0.00 C ATOM 1000 C GLY A 61 -1.319 15.647 17.410 1.00 0.00 C ATOM 1001 O GLY A 61 -0.511 14.763 17.691 1.00 0.00 O ATOM 0 H GLY A 61 -2.593 15.168 20.224 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.240 16.054 18.260 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.075 17.346 18.468 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.481 16.115 16.177 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.693 15.593 15.078 1.00 0.00 C ATOM 1007 C GLY A 62 -1.381 15.766 13.738 1.00 0.00 C ATOM 1008 O GLY A 62 -2.605 15.876 13.671 1.00 0.00 O ATOM 0 H GLY A 62 -2.144 16.846 15.920 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.273 16.098 15.055 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.495 14.535 15.247 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.592 15.792 12.669 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.133 15.954 11.324 1.00 0.00 C ATOM 1014 C LYS A 63 -0.711 14.798 10.423 1.00 0.00 C ATOM 1015 O LYS A 63 0.423 14.321 10.496 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.671 17.281 10.720 1.00 0.00 C ATOM 1017 CG LYS A 63 0.835 17.482 10.773 1.00 0.00 C ATOM 1018 CD LYS A 63 1.224 18.889 10.347 1.00 0.00 C ATOM 1019 CE LYS A 63 2.731 19.032 10.206 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.440 18.706 11.475 1.00 0.00 N ATOM 0 H LYS A 63 0.423 15.703 12.708 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.221 15.956 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.000 17.332 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.157 18.100 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.193 17.295 11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.323 16.756 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.744 19.129 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.856 19.607 11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.086 18.374 9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.973 20.052 9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.445 18.960 11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.015 19.243 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.356 17.687 11.668 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.631 14.352 9.574 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.357 13.252 8.656 1.00 0.00 C ATOM 1036 C ILE A 64 -1.392 13.728 7.208 1.00 0.00 C ATOM 1037 O ILE A 64 -2.268 14.500 6.819 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.370 12.098 8.821 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.828 11.978 10.277 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.756 10.789 8.344 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.830 10.868 10.504 1.00 0.00 C ATOM 0 H ILE A 64 -2.573 14.736 9.503 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.360 12.885 8.902 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.245 12.318 8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.958 11.806 10.910 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.269 12.924 10.590 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.479 9.982 8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.483 10.877 7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.865 10.569 8.933 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.110 10.841 11.557 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.717 11.049 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.386 9.913 10.222 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.437 13.258 6.413 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.363 13.632 5.006 1.00 0.00 C ATOM 1055 C PHE A 65 -0.873 12.499 4.123 1.00 0.00 C ATOM 1056 O PHE A 65 -0.226 11.459 3.995 1.00 0.00 O ATOM 1057 CB PHE A 65 1.075 13.987 4.623 1.00 0.00 C ATOM 1058 CG PHE A 65 1.642 15.130 5.417 1.00 0.00 C ATOM 1059 CD1 PHE A 65 2.207 14.912 6.663 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.611 16.421 4.916 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.731 15.960 7.395 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.133 17.474 5.643 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.694 17.243 6.884 1.00 0.00 C ATOM 0 H PHE A 65 0.296 12.618 6.719 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.995 14.507 4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.707 13.110 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.109 14.239 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.238 13.911 7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.174 16.607 3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.169 15.777 8.365 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.102 18.476 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.103 18.064 7.454 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.040 12.703 3.520 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.636 11.693 2.652 1.00 0.00 C ATOM 1075 C ILE A 66 -2.293 11.955 1.190 1.00 0.00 C ATOM 1076 O ILE A 66 -2.425 13.077 0.702 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.171 11.643 2.806 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.580 11.932 4.254 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.701 10.288 2.363 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.974 10.974 5.256 1.00 0.00 C ATOM 0 H ILE A 66 -2.591 13.556 3.616 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.219 10.733 2.957 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.607 12.413 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.283 12.949 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.666 11.887 4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.785 10.266 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.442 10.120 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.256 9.505 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.307 11.239 6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.291 9.957 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.887 11.035 5.206 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.850 10.912 0.495 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.486 11.030 -0.912 1.00 0.00 C ATOM 1094 C ARG A 67 -2.303 10.068 -1.771 1.00 0.00 C ATOM 1095 O ARG A 67 -1.841 9.613 -2.817 1.00 0.00 O ATOM 1096 CB ARG A 67 0.007 10.754 -1.097 1.00 0.00 C ATOM 1097 CG ARG A 67 0.876 11.990 -0.939 1.00 0.00 C ATOM 1098 CD ARG A 67 2.193 11.844 -1.685 1.00 0.00 C ATOM 1099 NE ARG A 67 2.024 11.999 -3.128 1.00 0.00 N ATOM 1100 CZ ARG A 67 1.902 13.176 -3.738 1.00 0.00 C ATOM 1101 NH1 ARG A 67 1.928 14.301 -3.035 1.00 0.00 N ATOM 1102 NH2 ARG A 67 1.753 13.228 -5.055 1.00 0.00 N ATOM 0 H ARG A 67 -1.735 9.976 0.883 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.705 12.048 -1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.322 10.003 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.170 10.329 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.340 12.863 -1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.073 12.165 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.901 12.589 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.623 10.865 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 67 1.998 11.156 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.042 14.267 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.834 15.200 -3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.732 12.366 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.659 14.130 -5.522 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.518 9.767 -1.324 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.396 8.861 -2.058 1.00 0.00 C ATOM 1118 C ILE A 68 -5.783 9.469 -2.240 1.00 0.00 C ATOM 1119 O ILE A 68 -6.359 10.018 -1.300 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.529 7.502 -1.342 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.220 7.671 0.012 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.163 6.858 -1.167 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.403 6.370 0.760 1.00 0.00 C ATOM 0 H ILE A 68 -3.916 10.135 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.942 8.702 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.143 6.847 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.636 8.356 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.195 8.133 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.275 5.900 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.707 6.700 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.526 7.512 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.899 6.564 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.013 5.691 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.429 5.916 0.945 1.00 0.00 H new ATOM 1135 N PHE A 69 -6.315 9.366 -3.452 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.634 9.904 -3.755 1.00 0.00 C ATOM 1137 C PHE A 69 -8.423 8.943 -4.643 1.00 0.00 C ATOM 1138 O PHE A 69 -7.865 8.326 -5.550 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.508 11.267 -4.440 1.00 0.00 C ATOM 1140 CG PHE A 69 -8.432 12.309 -3.875 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -8.274 12.762 -2.575 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -9.458 12.832 -4.644 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -9.123 13.719 -2.053 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -10.311 13.790 -4.126 1.00 0.00 C ATOM 1145 CZ PHE A 69 -10.142 14.233 -2.829 1.00 0.00 C ATOM 0 H PHE A 69 -5.852 8.914 -4.241 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.174 10.027 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.480 11.617 -4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.712 11.150 -5.504 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.479 12.363 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.594 12.488 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.989 14.065 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.108 14.191 -4.735 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.807 14.981 -2.422 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.737 8.802 -4.394 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.596 7.911 -5.176 1.00 0.00 C ATOM 1157 C PRO A 70 -10.961 8.503 -6.534 1.00 0.00 C ATOM 1158 O PRO A 70 -11.784 9.414 -6.622 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.838 7.773 -4.300 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.912 9.058 -3.551 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.488 9.499 -3.331 1.00 0.00 C ATOM 0 HA PRO A 70 -10.108 6.963 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.732 7.613 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.753 6.923 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.468 9.806 -4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.430 8.926 -2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.387 10.581 -3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -10.131 9.220 -2.340 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.513 4.569 -5.899 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.464 4.061 -5.021 1.00 0.00 C ATOM 1541 C VAL A 94 -10.081 4.442 -5.536 1.00 0.00 C ATOM 1542 O VAL A 94 -9.943 5.003 -6.623 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.538 2.528 -4.879 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.628 2.133 -3.895 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.768 1.873 -6.233 1.00 0.00 C ATOM 0 HA VAL A 94 -11.626 4.518 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.584 2.174 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.664 1.047 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.412 2.568 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.590 2.501 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.817 0.791 -6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.706 2.233 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.946 2.125 -6.903 1.00 0.00 H new ATOM 1555 N ALA A 95 -9.056 4.128 -4.748 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.681 4.431 -5.122 1.00 0.00 C ATOM 1557 C ALA A 95 -6.834 3.163 -5.159 1.00 0.00 C ATOM 1558 O ALA A 95 -6.458 2.625 -4.117 1.00 0.00 O ATOM 1559 CB ALA A 95 -7.080 5.440 -4.155 1.00 0.00 C ATOM 0 H ALA A 95 -9.154 3.663 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.688 4.864 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.052 5.657 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.665 6.359 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.091 5.028 -3.146 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.541 2.686 -6.364 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.743 1.477 -6.534 1.00 0.00 C ATOM 1567 C VAL A 96 -4.342 1.656 -5.958 1.00 0.00 C ATOM 1568 O VAL A 96 -3.673 2.654 -6.223 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.628 1.076 -8.018 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.107 -0.347 -8.145 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.969 1.223 -8.721 1.00 0.00 C ATOM 0 H VAL A 96 -6.844 3.118 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.259 0.684 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.917 1.747 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.032 -0.614 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.123 -0.417 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.792 -1.031 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.865 0.935 -9.767 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.705 0.580 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.299 2.260 -8.662 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.907 0.679 -5.168 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.587 0.725 -4.549 1.00 0.00 C ATOM 1583 C VAL A 97 -1.795 -0.544 -4.851 1.00 0.00 C ATOM 1584 O VAL A 97 -2.363 -1.568 -5.226 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.693 0.895 -3.021 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.317 1.077 -2.403 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.598 2.066 -2.671 1.00 0.00 C ATOM 0 H VAL A 97 -4.450 -0.154 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.067 1.585 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.134 -0.012 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.416 1.195 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.703 0.202 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.844 1.964 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.659 2.168 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.190 2.982 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.595 1.889 -3.075 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.478 -0.468 -4.680 1.00 0.00 N ATOM 1598 CA LYS A 98 0.397 -1.609 -4.925 1.00 0.00 C ATOM 1599 C LYS A 98 1.342 -1.822 -3.743 1.00 0.00 C ATOM 1600 O LYS A 98 1.589 -0.900 -2.965 1.00 0.00 O ATOM 1601 CB LYS A 98 1.202 -1.395 -6.210 1.00 0.00 C ATOM 1602 CG LYS A 98 1.069 -2.534 -7.208 1.00 0.00 C ATOM 1603 CD LYS A 98 2.372 -2.779 -7.950 1.00 0.00 C ATOM 1604 CE LYS A 98 2.551 -1.799 -9.099 1.00 0.00 C ATOM 1605 NZ LYS A 98 2.057 -2.356 -10.388 1.00 0.00 N ATOM 0 H LYS A 98 0.007 0.375 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.222 -2.499 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.876 -0.469 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.254 -1.269 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.770 -3.443 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.280 -2.302 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.209 -2.687 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.387 -3.799 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.017 -0.876 -8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.606 -1.542 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.197 -1.657 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.584 -3.223 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.044 -2.578 -10.305 1.00 0.00 H new ATOM 1619 N PRO A 99 1.888 -3.041 -3.588 1.00 0.00 N ATOM 1620 CA PRO A 99 2.809 -3.352 -2.490 1.00 0.00 C ATOM 1621 C PRO A 99 3.981 -2.380 -2.435 1.00 0.00 C ATOM 1622 O PRO A 99 4.744 -2.257 -3.392 1.00 0.00 O ATOM 1623 CB PRO A 99 3.296 -4.766 -2.816 1.00 0.00 C ATOM 1624 CG PRO A 99 2.231 -5.349 -3.679 1.00 0.00 C ATOM 1625 CD PRO A 99 1.656 -4.202 -4.464 1.00 0.00 C ATOM 0 HA PRO A 99 2.326 -3.274 -1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.255 -4.744 -3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.436 -5.354 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.641 -6.110 -4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.462 -5.833 -3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.153 -4.085 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.595 -4.346 -4.668 1.00 0.00 H new ATOM 1633 N GLY A 100 4.109 -1.684 -1.311 1.00 0.00 N ATOM 1634 CA GLY A 100 5.181 -0.722 -1.154 1.00 0.00 C ATOM 1635 C GLY A 100 4.725 0.691 -1.459 1.00 0.00 C ATOM 1636 O GLY A 100 5.506 1.514 -1.938 1.00 0.00 O ATOM 0 H GLY A 100 3.489 -1.770 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.563 -0.768 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.006 -0.987 -1.815 1.00 0.00 H new ATOM 1640 N ARG A 101 3.452 0.968 -1.188 1.00 0.00 N ATOM 1641 CA ARG A 101 2.883 2.287 -1.446 1.00 0.00 C ATOM 1642 C ARG A 101 2.540 3.010 -0.147 1.00 0.00 C ATOM 1643 O ARG A 101 1.691 2.556 0.620 1.00 0.00 O ATOM 1644 CB ARG A 101 1.622 2.157 -2.298 1.00 0.00 C ATOM 1645 CG ARG A 101 1.350 3.365 -3.177 1.00 0.00 C ATOM 1646 CD ARG A 101 2.166 3.313 -4.455 1.00 0.00 C ATOM 1647 NE ARG A 101 1.709 4.290 -5.440 1.00 0.00 N ATOM 1648 CZ ARG A 101 0.641 4.118 -6.215 1.00 0.00 C ATOM 1649 NH1 ARG A 101 -0.081 3.008 -6.124 1.00 0.00 N ATOM 1650 NH2 ARG A 101 0.293 5.058 -7.084 1.00 0.00 N ATOM 0 H ARG A 101 2.795 0.297 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 101 3.633 2.871 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.710 1.273 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.766 1.996 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.289 3.407 -3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.587 4.277 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.215 3.497 -4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.105 2.312 -4.883 1.00 0.00 H new ATOM 0 HE ARG A 101 2.240 5.155 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.182 2.282 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.899 2.881 -6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.844 5.913 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.526 4.926 -7.678 1.00 0.00 H new ATOM 1664 N VAL A 102 3.192 4.145 0.087 1.00 0.00 N ATOM 1665 CA VAL A 102 2.940 4.936 1.285 1.00 0.00 C ATOM 1666 C VAL A 102 1.754 5.870 1.071 1.00 0.00 C ATOM 1667 O VAL A 102 1.877 6.908 0.421 1.00 0.00 O ATOM 1668 CB VAL A 102 4.175 5.768 1.682 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.965 6.421 3.040 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.425 4.900 1.682 1.00 0.00 C ATOM 0 H VAL A 102 3.898 4.536 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 102 2.715 4.238 2.092 1.00 0.00 H new ATOM 0 HB VAL A 102 4.312 6.559 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.847 7.004 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.096 7.077 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.801 5.650 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.287 5.504 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.303 4.086 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.582 4.488 0.685 1.00 0.00 H new ATOM 1680 N MET A 103 0.600 5.485 1.608 1.00 0.00 N ATOM 1681 CA MET A 103 -0.615 6.280 1.459 1.00 0.00 C ATOM 1682 C MET A 103 -0.793 7.269 2.609 1.00 0.00 C ATOM 1683 O MET A 103 -1.438 8.305 2.446 1.00 0.00 O ATOM 1684 CB MET A 103 -1.838 5.366 1.363 1.00 0.00 C ATOM 1685 CG MET A 103 -1.845 4.243 2.388 1.00 0.00 C ATOM 1686 SD MET A 103 -1.349 2.657 1.686 1.00 0.00 S ATOM 1687 CE MET A 103 -2.117 1.522 2.838 1.00 0.00 C ATOM 0 H MET A 103 0.481 4.629 2.149 1.00 0.00 H new ATOM 0 HA MET A 103 -0.518 6.855 0.538 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.739 5.966 1.489 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.880 4.934 0.363 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.173 4.500 3.207 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.844 4.151 2.813 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.353 0.891 3.292 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.631 2.086 3.616 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.836 0.897 2.308 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.230 6.951 3.770 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.349 7.828 4.933 1.00 0.00 C ATOM 1699 C PHE A 104 1.020 8.204 5.488 1.00 0.00 C ATOM 1700 O PHE A 104 1.982 7.448 5.362 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.187 7.158 6.024 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.653 7.107 5.707 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.165 6.112 4.889 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.521 8.053 6.227 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.515 6.061 4.596 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.872 8.009 5.939 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.370 7.011 5.123 1.00 0.00 C ATOM 0 H PHE A 104 0.309 6.100 3.932 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.847 8.741 4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.822 6.143 6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.045 7.695 6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.501 5.367 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.137 8.835 6.866 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.901 5.281 3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.537 8.753 6.351 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.425 6.973 4.897 1.00 0.00 H new ATOM 1717 N GLU A 105 1.095 9.381 6.104 1.00 0.00 N ATOM 1718 CA GLU A 105 2.340 9.871 6.686 1.00 0.00 C ATOM 1719 C GLU A 105 2.056 10.839 7.830 1.00 0.00 C ATOM 1720 O GLU A 105 1.287 11.786 7.676 1.00 0.00 O ATOM 1721 CB GLU A 105 3.186 10.570 5.619 1.00 0.00 C ATOM 1722 CG GLU A 105 3.685 9.641 4.525 1.00 0.00 C ATOM 1723 CD GLU A 105 2.759 9.603 3.326 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.587 10.654 2.675 1.00 0.00 O ATOM 1725 OE2 GLU A 105 2.205 8.520 3.036 1.00 0.00 O ATOM 0 H GLU A 105 0.304 10.015 6.213 1.00 0.00 H new ATOM 0 HA GLU A 105 2.891 9.016 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.596 11.366 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.042 11.042 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.676 9.963 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.792 8.634 4.929 1.00 0.00 H new ATOM 1732 N VAL A 106 2.684 10.601 8.979 1.00 0.00 N ATOM 1733 CA VAL A 106 2.494 11.463 10.141 1.00 0.00 C ATOM 1734 C VAL A 106 3.808 12.099 10.577 1.00 0.00 C ATOM 1735 O VAL A 106 4.880 11.525 10.387 1.00 0.00 O ATOM 1736 CB VAL A 106 1.891 10.692 11.333 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.504 10.173 10.987 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.806 9.554 11.759 1.00 0.00 C ATOM 0 H VAL A 106 3.326 9.822 9.129 1.00 0.00 H new ATOM 0 HA VAL A 106 1.797 12.243 9.836 1.00 0.00 H new ATOM 0 HB VAL A 106 1.797 11.380 12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.095 9.632 11.840 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.148 11.012 10.743 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.570 9.503 10.130 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.360 9.024 12.601 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.940 8.864 10.926 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.774 9.957 12.056 1.00 0.00 H new ATOM 1748 N ALA A 107 3.717 13.289 11.160 1.00 0.00 N ATOM 1749 CA ALA A 107 4.901 14.003 11.623 1.00 0.00 C ATOM 1750 C ALA A 107 4.603 14.799 12.889 1.00 0.00 C ATOM 1751 O ALA A 107 3.546 15.416 13.014 1.00 0.00 O ATOM 1752 CB ALA A 107 5.421 14.926 10.531 1.00 0.00 C ATOM 0 H ALA A 107 2.837 13.779 11.323 1.00 0.00 H new ATOM 0 HA ALA A 107 5.669 13.266 11.859 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.305 15.453 10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.682 14.338 9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.649 15.650 10.268 1.00 0.00 H new ATOM 1758 N GLY A 108 5.544 14.781 13.828 1.00 0.00 N ATOM 1759 CA GLY A 108 5.366 15.506 15.071 1.00 0.00 C ATOM 1760 C GLY A 108 4.957 14.605 16.221 1.00 0.00 C ATOM 1761 O GLY A 108 5.359 14.827 17.363 1.00 0.00 O ATOM 0 H GLY A 108 6.427 14.277 13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.296 16.015 15.326 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.608 16.277 14.932 1.00 0.00 H new ATOM 1765 N VAL A 109 4.155 13.589 15.922 1.00 0.00 N ATOM 1766 CA VAL A 109 3.693 12.657 16.944 1.00 0.00 C ATOM 1767 C VAL A 109 4.784 11.658 17.318 1.00 0.00 C ATOM 1768 O VAL A 109 5.694 11.395 16.531 1.00 0.00 O ATOM 1769 CB VAL A 109 2.439 11.891 16.483 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.288 12.855 16.236 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.737 11.066 15.238 1.00 0.00 C ATOM 0 H VAL A 109 3.812 13.390 14.982 1.00 0.00 H new ATOM 0 HA VAL A 109 3.440 13.253 17.821 1.00 0.00 H new ATOM 0 HB VAL A 109 2.144 11.204 17.276 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.410 12.297 15.911 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.058 13.390 17.157 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.571 13.569 15.463 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.837 10.533 14.930 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.061 11.726 14.433 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.526 10.347 15.458 1.00 0.00 H new ATOM 1781 N THR A 110 4.687 11.107 18.524 1.00 0.00 N ATOM 1782 CA THR A 110 5.667 10.138 19.005 1.00 0.00 C ATOM 1783 C THR A 110 5.596 8.844 18.202 1.00 0.00 C ATOM 1784 O THR A 110 4.687 8.652 17.394 1.00 0.00 O ATOM 1785 CB THR A 110 5.440 9.843 20.489 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.332 8.977 20.664 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.187 11.086 21.316 1.00 0.00 C ATOM 0 H THR A 110 3.940 11.315 19.186 1.00 0.00 H new ATOM 0 HA THR A 110 6.659 10.571 18.875 1.00 0.00 H new ATOM 0 HB THR A 110 6.363 9.379 20.835 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.204 8.799 21.619 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.034 10.805 22.358 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.046 11.753 21.242 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.298 11.596 20.944 1.00 0.00 H new ATOM 1795 N GLU A 111 6.560 7.959 18.429 1.00 0.00 N ATOM 1796 CA GLU A 111 6.611 6.682 17.726 1.00 0.00 C ATOM 1797 C GLU A 111 5.423 5.800 18.101 1.00 0.00 C ATOM 1798 O GLU A 111 4.841 5.132 17.247 1.00 0.00 O ATOM 1799 CB GLU A 111 7.919 5.954 18.045 1.00 0.00 C ATOM 1800 CG GLU A 111 8.049 4.603 17.359 1.00 0.00 C ATOM 1801 CD GLU A 111 9.388 3.942 17.621 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.380 4.672 17.830 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.444 2.694 17.618 1.00 0.00 O ATOM 0 H GLU A 111 7.318 8.103 19.096 1.00 0.00 H new ATOM 0 HA GLU A 111 6.564 6.885 16.656 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.757 6.584 17.748 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.992 5.813 19.123 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.250 3.946 17.704 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.915 4.731 16.285 1.00 0.00 H new ATOM 1810 N GLU A 112 5.071 5.801 19.382 1.00 0.00 N ATOM 1811 CA GLU A 112 3.955 4.997 19.868 1.00 0.00 C ATOM 1812 C GLU A 112 2.634 5.469 19.268 1.00 0.00 C ATOM 1813 O GLU A 112 1.809 4.659 18.846 1.00 0.00 O ATOM 1814 CB GLU A 112 3.887 5.054 21.396 1.00 0.00 C ATOM 1815 CG GLU A 112 4.506 3.844 22.076 1.00 0.00 C ATOM 1816 CD GLU A 112 3.742 2.563 21.799 1.00 0.00 C ATOM 1817 OE1 GLU A 112 2.950 2.543 20.832 1.00 0.00 O ATOM 1818 OE2 GLU A 112 3.936 1.581 22.546 1.00 0.00 O ATOM 0 H GLU A 112 5.542 6.349 20.102 1.00 0.00 H new ATOM 0 HA GLU A 112 4.122 3.966 19.556 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.395 5.954 21.741 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.844 5.139 21.702 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.536 3.729 21.737 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.542 4.016 23.152 1.00 0.00 H new ATOM 1825 N GLN A 113 2.437 6.782 19.235 1.00 0.00 N ATOM 1826 CA GLN A 113 1.214 7.357 18.687 1.00 0.00 C ATOM 1827 C GLN A 113 1.213 7.293 17.165 1.00 0.00 C ATOM 1828 O GLN A 113 0.177 7.055 16.543 1.00 0.00 O ATOM 1829 CB GLN A 113 1.055 8.807 19.150 1.00 0.00 C ATOM 1830 CG GLN A 113 1.203 8.986 20.653 1.00 0.00 C ATOM 1831 CD GLN A 113 -0.121 9.245 21.343 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -0.219 10.099 22.224 1.00 0.00 O ATOM 1833 NE2 GLN A 113 -1.150 8.505 20.944 1.00 0.00 N ATOM 0 H GLN A 113 3.108 7.468 19.581 1.00 0.00 H new ATOM 0 HA GLN A 113 0.372 6.771 19.055 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.797 9.425 18.644 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.075 9.172 18.844 1.00 0.00 H new ATOM 0 HG2 GLN A 113 1.661 8.093 21.078 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.880 9.817 20.851 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -1.023 7.808 20.210 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -2.067 8.634 21.372 1.00 0.00 H new ATOM 1842 N ALA A 114 2.380 7.511 16.571 1.00 0.00 N ATOM 1843 CA ALA A 114 2.517 7.483 15.121 1.00 0.00 C ATOM 1844 C ALA A 114 2.395 6.063 14.577 1.00 0.00 C ATOM 1845 O ALA A 114 1.658 5.815 13.623 1.00 0.00 O ATOM 1846 CB ALA A 114 3.848 8.090 14.714 1.00 0.00 C ATOM 0 H ALA A 114 3.246 7.709 17.072 1.00 0.00 H new ATOM 0 HA ALA A 114 1.707 8.073 14.693 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.942 8.065 13.628 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.898 9.123 15.059 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.661 7.518 15.162 1.00 0.00 H new ATOM 1852 N MET A 115 3.121 5.134 15.190 1.00 0.00 N ATOM 1853 CA MET A 115 3.091 3.740 14.765 1.00 0.00 C ATOM 1854 C MET A 115 1.691 3.158 14.920 1.00 0.00 C ATOM 1855 O MET A 115 1.173 2.512 14.009 1.00 0.00 O ATOM 1856 CB MET A 115 4.094 2.916 15.575 1.00 0.00 C ATOM 1857 CG MET A 115 5.544 3.283 15.298 1.00 0.00 C ATOM 1858 SD MET A 115 6.439 1.982 14.427 1.00 0.00 S ATOM 1859 CE MET A 115 7.490 2.955 13.352 1.00 0.00 C ATOM 0 H MET A 115 3.736 5.321 15.982 1.00 0.00 H new ATOM 0 HA MET A 115 3.368 3.699 13.712 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.890 3.051 16.637 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.946 1.859 15.354 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.576 4.198 14.707 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.047 3.495 16.241 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.848 2.332 12.532 1.00 0.00 H new ATOM 0 HE2 MET A 115 6.922 3.794 12.950 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.341 3.332 13.919 1.00 0.00 H new ATOM 1869 N GLU A 116 1.082 3.396 16.076 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.261 2.898 16.345 1.00 0.00 C ATOM 1871 C GLU A 116 -1.273 3.554 15.413 1.00 0.00 C ATOM 1872 O GLU A 116 -2.093 2.875 14.795 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.646 3.161 17.801 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.636 2.151 18.360 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.310 1.741 19.783 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.525 0.786 19.960 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -1.839 2.376 20.719 1.00 0.00 O ATOM 0 H GLU A 116 1.496 3.930 16.840 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.268 1.823 16.167 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.255 3.152 18.414 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.075 4.160 17.880 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.639 2.576 18.329 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.645 1.266 17.724 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.208 4.878 15.311 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.119 5.624 14.450 1.00 0.00 C ATOM 1886 C ALA A 117 -2.030 5.131 13.010 1.00 0.00 C ATOM 1887 O ALA A 117 -3.046 4.852 12.375 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.813 7.112 14.521 1.00 0.00 C ATOM 0 H ALA A 117 -0.534 5.456 15.814 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.137 5.459 14.804 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.501 7.656 13.874 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.930 7.459 15.548 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.789 7.289 14.193 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.807 5.015 12.504 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.591 4.543 11.142 1.00 0.00 C ATOM 1896 C LEU A 118 -1.136 3.127 10.980 1.00 0.00 C ATOM 1897 O LEU A 118 -1.583 2.741 9.900 1.00 0.00 O ATOM 1898 CB LEU A 118 0.903 4.574 10.796 1.00 0.00 C ATOM 1899 CG LEU A 118 1.404 5.843 10.092 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.541 7.048 10.436 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.856 6.109 10.460 1.00 0.00 C ATOM 0 H LEU A 118 0.047 5.240 13.015 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.122 5.205 10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.472 4.445 11.717 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.126 3.717 10.160 1.00 0.00 H new ATOM 0 HG LEU A 118 1.333 5.680 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.924 7.929 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.486 6.862 10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.566 7.218 11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.200 7.011 9.955 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.939 6.243 11.539 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.470 5.263 10.151 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.099 2.359 12.065 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.593 0.988 12.052 1.00 0.00 C ATOM 1915 C ARG A 119 -3.119 0.963 12.037 1.00 0.00 C ATOM 1916 O ARG A 119 -3.729 0.162 11.328 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.067 0.222 13.266 1.00 0.00 C ATOM 1918 CG ARG A 119 0.203 -0.567 12.986 1.00 0.00 C ATOM 1919 CD ARG A 119 0.773 -1.177 14.256 1.00 0.00 C ATOM 1920 NE ARG A 119 0.395 -2.580 14.407 1.00 0.00 N ATOM 1921 CZ ARG A 119 0.536 -3.267 15.539 1.00 0.00 C ATOM 1922 NH1 ARG A 119 1.043 -2.686 16.618 1.00 0.00 N ATOM 1923 NH2 ARG A 119 0.167 -4.540 15.591 1.00 0.00 N ATOM 0 H ARG A 119 -0.731 2.665 12.966 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.231 0.504 11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.876 0.927 14.075 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.840 -0.462 13.616 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.010 -1.357 12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.946 0.088 12.531 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.860 -1.094 14.242 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.421 -0.612 15.119 1.00 0.00 H new ATOM 0 HE ARG A 119 0.000 -3.061 13.599 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.328 -1.707 16.584 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.148 -3.218 17.482 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.224 -4.992 14.764 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.275 -5.067 16.458 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.732 1.851 12.818 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.187 1.932 12.886 1.00 0.00 C ATOM 1939 C ILE A 120 -5.781 2.122 11.493 1.00 0.00 C ATOM 1940 O ILE A 120 -6.818 1.548 11.165 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.646 3.086 13.803 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.179 2.844 15.238 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.162 3.243 13.760 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.100 4.105 16.070 1.00 0.00 C ATOM 0 H ILE A 120 -3.244 2.522 13.411 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.545 0.992 13.307 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.196 4.009 13.439 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.861 2.143 15.720 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.197 2.371 15.217 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.462 4.062 14.414 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.477 3.460 12.739 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.633 2.319 14.096 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.762 3.857 17.076 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.396 4.800 15.612 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.085 4.569 16.123 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.108 2.926 10.676 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.563 3.182 9.317 1.00 0.00 C ATOM 1958 C ALA A 121 -5.555 1.898 8.498 1.00 0.00 C ATOM 1959 O ALA A 121 -6.514 1.597 7.787 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.690 4.240 8.657 1.00 0.00 C ATOM 0 H ALA A 121 -4.247 3.410 10.932 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.587 3.554 9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.042 4.421 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.744 5.166 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.657 3.892 8.626 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.468 1.141 8.610 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.354 -0.107 7.881 1.00 0.00 C ATOM 1968 C GLY A 122 -5.253 -1.191 8.447 1.00 0.00 C ATOM 1969 O GLY A 122 -5.601 -2.144 7.750 1.00 0.00 O ATOM 0 H GLY A 122 -3.664 1.371 9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.608 0.062 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.319 -0.447 7.907 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.632 -1.044 9.714 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.498 -2.017 10.369 1.00 0.00 C ATOM 1975 C HIS A 123 -7.822 -2.148 9.624 1.00 0.00 C ATOM 1976 O HIS A 123 -8.349 -3.248 9.460 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.752 -1.610 11.820 1.00 0.00 C ATOM 1978 CG HIS A 123 -5.549 -1.747 12.701 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -5.505 -1.277 13.997 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -4.339 -2.307 12.465 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -4.321 -1.542 14.519 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -3.595 -2.166 13.610 1.00 0.00 N ATOM 0 H HIS A 123 -5.353 -0.261 10.306 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.995 -2.984 10.356 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -7.093 -0.575 11.844 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.559 -2.221 12.224 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -4.019 -2.777 11.547 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -4.001 -1.291 15.520 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -2.637 -2.491 13.738 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.353 -1.017 9.172 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.614 -1.003 8.439 1.00 0.00 C ATOM 1993 C LYS A 124 -9.385 -1.183 6.939 1.00 0.00 C ATOM 1994 O LYS A 124 -10.335 -1.189 6.155 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.365 0.303 8.699 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.602 1.543 8.268 1.00 0.00 C ATOM 1997 CD LYS A 124 -10.396 2.806 8.553 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.522 3.060 10.046 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.195 3.267 10.692 1.00 0.00 N ATOM 0 H LYS A 124 -7.930 -0.098 9.300 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.216 -1.839 8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.319 0.274 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.589 0.377 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.647 1.585 8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -9.379 1.484 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.909 3.658 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.389 2.720 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.147 3.937 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.026 2.216 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.304 3.889 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.810 2.350 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.543 3.707 10.012 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.123 -1.336 6.542 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.781 -1.521 5.136 1.00 0.00 C ATOM 2015 C LEU A 125 -7.910 -2.989 4.740 1.00 0.00 C ATOM 2016 O LEU A 125 -7.806 -3.879 5.584 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.355 -1.036 4.864 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.193 0.481 4.745 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.743 0.841 4.463 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.099 1.028 3.654 1.00 0.00 C ATOM 0 H LEU A 125 -7.323 -1.335 7.174 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.477 -0.932 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.708 -1.392 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.002 -1.496 3.941 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.482 0.934 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.646 1.924 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.114 0.481 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.428 0.377 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -6.971 2.108 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.839 0.568 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.137 0.801 3.895 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.140 -3.263 3.445 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.283 -4.621 2.937 1.00 0.00 C ATOM 2034 C PRO A 126 -6.947 -5.238 2.527 1.00 0.00 C ATOM 2035 O PRO A 126 -6.906 -6.191 1.750 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.174 -4.417 1.717 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.789 -3.073 1.191 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.283 -2.266 2.367 1.00 0.00 C ATOM 0 HA PRO A 126 -8.685 -5.307 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.011 -5.196 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.230 -4.450 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.018 -3.165 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.643 -2.582 0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.332 -1.783 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -8.984 -1.478 2.642 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.855 -4.688 3.053 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.522 -5.186 2.736 1.00 0.00 C ATOM 2048 C ILE A 127 -3.556 -4.949 3.893 1.00 0.00 C ATOM 2049 O ILE A 127 -3.841 -4.175 4.806 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.961 -4.521 1.463 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.184 -3.006 1.504 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.612 -5.122 0.227 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.181 -2.269 2.364 1.00 0.00 C ATOM 0 H ILE A 127 -5.868 -3.899 3.699 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.617 -6.258 2.563 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.888 -4.707 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.138 -2.613 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.188 -2.805 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.208 -4.645 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.406 -6.192 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.689 -4.961 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.401 -1.202 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.243 -2.634 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.176 -2.439 1.978 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.412 -5.625 3.848 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.403 -5.495 4.894 1.00 0.00 C ATOM 2067 C LYS A 128 -0.631 -4.187 4.754 1.00 0.00 C ATOM 2068 O LYS A 128 -0.352 -3.733 3.645 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.433 -6.677 4.845 1.00 0.00 C ATOM 2070 CG LYS A 128 0.574 -6.685 5.984 1.00 0.00 C ATOM 2071 CD LYS A 128 0.141 -7.616 7.105 1.00 0.00 C ATOM 2072 CE LYS A 128 1.317 -8.022 7.978 1.00 0.00 C ATOM 2073 NZ LYS A 128 1.939 -9.293 7.515 1.00 0.00 N ATOM 0 H LYS A 128 -2.160 -6.269 3.098 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.916 -5.490 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.003 -7.606 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.104 -6.657 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.548 -6.996 5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.691 -5.674 6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -0.615 -7.123 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.323 -8.506 6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.065 -7.229 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.982 -8.136 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 2.737 -9.535 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.233 -10.056 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.282 -9.177 6.540 1.00 0.00 H new ATOM 2087 N THR A 129 -0.285 -3.588 5.890 1.00 0.00 N ATOM 2088 CA THR A 129 0.458 -2.334 5.901 1.00 0.00 C ATOM 2089 C THR A 129 1.377 -2.258 7.116 1.00 0.00 C ATOM 2090 O THR A 129 1.075 -2.823 8.168 1.00 0.00 O ATOM 2091 CB THR A 129 -0.504 -1.144 5.902 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.065 -0.954 7.189 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.648 -1.289 4.920 1.00 0.00 C ATOM 0 H THR A 129 -0.508 -3.953 6.816 1.00 0.00 H new ATOM 0 HA THR A 129 1.070 -2.297 5.000 1.00 0.00 H new ATOM 0 HB THR A 129 0.101 -0.288 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.559 -1.758 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.289 -0.409 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.250 -1.385 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.229 -2.177 5.167 1.00 0.00 H new ATOM 2101 N LYS A 130 2.501 -1.560 6.970 1.00 0.00 N ATOM 2102 CA LYS A 130 3.456 -1.422 8.067 1.00 0.00 C ATOM 2103 C LYS A 130 3.913 0.026 8.225 1.00 0.00 C ATOM 2104 O LYS A 130 3.770 0.837 7.311 1.00 0.00 O ATOM 2105 CB LYS A 130 4.668 -2.327 7.833 1.00 0.00 C ATOM 2106 CG LYS A 130 5.351 -2.097 6.496 1.00 0.00 C ATOM 2107 CD LYS A 130 6.771 -2.640 6.496 1.00 0.00 C ATOM 2108 CE LYS A 130 7.612 -1.997 5.405 1.00 0.00 C ATOM 2109 NZ LYS A 130 9.067 -2.250 5.603 1.00 0.00 N ATOM 0 H LYS A 130 2.772 -1.084 6.109 1.00 0.00 H new ATOM 0 HA LYS A 130 2.954 -1.724 8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.391 -2.166 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.351 -3.368 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.776 -2.578 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.368 -1.030 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.232 -2.458 7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.749 -3.720 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.305 -2.385 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.429 -0.923 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.606 -1.795 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.366 -1.857 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.246 -3.274 5.591 1.00 0.00 H new ATOM 2123 N ILE A 131 4.467 0.341 9.394 1.00 0.00 N ATOM 2124 CA ILE A 131 4.950 1.691 9.676 1.00 0.00 C ATOM 2125 C ILE A 131 6.423 1.828 9.311 1.00 0.00 C ATOM 2126 O ILE A 131 7.224 0.936 9.589 1.00 0.00 O ATOM 2127 CB ILE A 131 4.791 2.069 11.165 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.556 1.399 11.775 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.716 3.583 11.322 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.258 1.796 11.113 1.00 0.00 C ATOM 0 H ILE A 131 4.593 -0.320 10.161 1.00 0.00 H new ATOM 0 HA ILE A 131 4.342 2.363 9.070 1.00 0.00 H new ATOM 0 HB ILE A 131 5.667 1.707 11.704 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.671 0.317 11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.504 1.650 12.835 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.604 3.834 12.377 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.630 4.035 10.936 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.860 3.965 10.765 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.429 1.281 11.599 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.119 2.873 11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.288 1.520 10.059 1.00 0.00 H new ATOM 2142 N VAL A 132 6.779 2.951 8.699 1.00 0.00 N ATOM 2143 CA VAL A 132 8.160 3.194 8.316 1.00 0.00 C ATOM 2144 C VAL A 132 8.495 4.682 8.377 1.00 0.00 C ATOM 2145 O VAL A 132 7.666 5.533 8.054 1.00 0.00 O ATOM 2146 CB VAL A 132 8.458 2.659 6.902 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.991 1.218 6.768 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.810 3.540 5.843 1.00 0.00 C ATOM 0 H VAL A 132 6.133 3.703 8.459 1.00 0.00 H new ATOM 0 HA VAL A 132 8.785 2.658 9.031 1.00 0.00 H new ATOM 0 HB VAL A 132 9.536 2.684 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 132 8.209 0.857 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.511 0.598 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.917 1.165 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 132 8.034 3.143 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.730 3.554 5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.201 4.554 5.924 1.00 0.00 H new ATOM 2158 N ARG A 133 9.716 4.981 8.790 1.00 0.00 N ATOM 2159 CA ARG A 133 10.179 6.358 8.897 1.00 0.00 C ATOM 2160 C ARG A 133 10.571 6.911 7.539 1.00 0.00 C ATOM 2161 O ARG A 133 10.754 6.157 6.584 1.00 0.00 O ATOM 2162 CB ARG A 133 11.384 6.444 9.822 1.00 0.00 C ATOM 2163 CG ARG A 133 11.180 7.360 11.016 1.00 0.00 C ATOM 2164 CD ARG A 133 11.867 6.820 12.260 1.00 0.00 C ATOM 2165 NE ARG A 133 13.091 7.555 12.572 1.00 0.00 N ATOM 2166 CZ ARG A 133 14.267 7.321 11.994 1.00 0.00 C ATOM 2167 NH1 ARG A 133 14.386 6.373 11.071 1.00 0.00 N ATOM 2168 NH2 ARG A 133 15.328 8.037 12.338 1.00 0.00 N ATOM 0 H ARG A 133 10.410 4.284 9.059 1.00 0.00 H new ATOM 0 HA ARG A 133 9.356 6.947 9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.626 5.444 10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.244 6.794 9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.570 8.351 10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.113 7.474 11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.183 6.879 13.107 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.104 5.766 12.115 1.00 0.00 H new ATOM 0 HE ARG A 133 13.041 8.292 13.275 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.573 5.819 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.290 6.199 10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 133 15.243 8.767 13.045 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.229 7.858 11.895 1.00 0.00 H new