USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 150:sc= -0.897 USER MOD Set 1.2: A 115 MET CE :methyl -172:sc= -0.314 (180deg=-0.492) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.756 F(o=-1.7!,f=-0.76) USER MOD Single : A 46 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.9!) USER MOD Single : A 54 MET CE :methyl -118:sc= -8.4! (180deg=-12.3!) USER MOD Single : A 57 HIS : no HE2:sc= -0.793 K(o=-0.79,f=-4.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= -0.0181 (180deg=-0.281) USER MOD Single : A 103 MET CE :methyl -174:sc= -4.01! (180deg=-4.13!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.795 USER MOD Single : A 113 GLN : amide:sc= -0.555 K(o=-0.55,f=-1.7!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 124 LYS NZ :NH3+ -179:sc=-0.00555 (180deg=-0.00699) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -80:sc= -0.35 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.234 12.209 8.945 1.00 0.00 N ATOM 508 CA ASP A 31 8.363 11.461 9.489 1.00 0.00 C ATOM 509 C ASP A 31 8.166 9.961 9.290 1.00 0.00 C ATOM 510 O ASP A 31 9.126 9.219 9.092 1.00 0.00 O ATOM 511 CB ASP A 31 8.537 11.770 10.977 1.00 0.00 C ATOM 512 CG ASP A 31 9.147 13.139 11.215 1.00 0.00 C ATOM 513 OD1 ASP A 31 10.376 13.279 11.044 1.00 0.00 O ATOM 514 OD2 ASP A 31 8.395 14.069 11.573 1.00 0.00 O ATOM 0 HA ASP A 31 9.262 11.767 8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.568 11.716 11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.171 11.009 11.432 1.00 0.00 H new ATOM 519 N TYR A 32 6.913 9.528 9.339 1.00 0.00 N ATOM 520 CA TYR A 32 6.578 8.121 9.159 1.00 0.00 C ATOM 521 C TYR A 32 5.742 7.928 7.903 1.00 0.00 C ATOM 522 O TYR A 32 5.289 8.899 7.293 1.00 0.00 O ATOM 523 CB TYR A 32 5.813 7.595 10.370 1.00 0.00 C ATOM 524 CG TYR A 32 6.699 7.168 11.517 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.786 6.325 11.313 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.435 7.598 12.810 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.583 5.925 12.368 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.231 7.206 13.868 1.00 0.00 C ATOM 529 CZ TYR A 32 8.302 6.369 13.643 1.00 0.00 C ATOM 530 OH TYR A 32 9.095 5.972 14.696 1.00 0.00 O ATOM 0 H TYR A 32 6.109 10.134 9.503 1.00 0.00 H new ATOM 0 HA TYR A 32 7.508 7.562 9.055 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.130 8.369 10.720 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.202 6.747 10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.010 5.978 10.315 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.593 8.250 12.992 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.422 5.268 12.195 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.015 7.554 14.867 1.00 0.00 H new ATOM 0 HH TYR A 32 9.104 6.673 15.381 1.00 0.00 H new ATOM 540 N GLY A 33 5.536 6.676 7.520 1.00 0.00 N ATOM 541 CA GLY A 33 4.750 6.388 6.337 1.00 0.00 C ATOM 542 C GLY A 33 4.098 5.022 6.387 1.00 0.00 C ATOM 543 O GLY A 33 4.768 4.012 6.598 1.00 0.00 O ATOM 0 H GLY A 33 5.898 5.856 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.979 7.150 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.390 6.449 5.457 1.00 0.00 H new ATOM 547 N LEU A 34 2.786 4.992 6.179 1.00 0.00 N ATOM 548 CA LEU A 34 2.041 3.742 6.187 1.00 0.00 C ATOM 549 C LEU A 34 1.981 3.172 4.778 1.00 0.00 C ATOM 550 O LEU A 34 1.259 3.682 3.920 1.00 0.00 O ATOM 551 CB LEU A 34 0.628 3.965 6.734 1.00 0.00 C ATOM 552 CG LEU A 34 -0.094 2.712 7.240 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.723 1.958 6.080 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.857 1.808 8.017 1.00 0.00 C ATOM 0 H LEU A 34 2.218 5.821 6.003 1.00 0.00 H new ATOM 0 HA LEU A 34 2.550 3.030 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.684 4.685 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.022 4.419 5.950 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.886 3.027 7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.232 1.071 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.443 2.602 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.054 1.660 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.318 0.926 8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.677 1.500 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.256 2.351 8.874 1.00 0.00 H new ATOM 566 N VAL A 35 2.766 2.130 4.538 1.00 0.00 N ATOM 567 CA VAL A 35 2.828 1.510 3.224 1.00 0.00 C ATOM 568 C VAL A 35 1.891 0.317 3.100 1.00 0.00 C ATOM 569 O VAL A 35 1.694 -0.441 4.049 1.00 0.00 O ATOM 570 CB VAL A 35 4.260 1.044 2.896 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.817 0.196 4.027 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.290 0.271 1.587 1.00 0.00 C ATOM 0 H VAL A 35 3.369 1.697 5.238 1.00 0.00 H new ATOM 0 HA VAL A 35 2.513 2.277 2.516 1.00 0.00 H new ATOM 0 HB VAL A 35 4.888 1.928 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.829 -0.124 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.838 0.783 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.184 -0.680 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.311 -0.048 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.646 -0.604 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.935 0.910 0.779 1.00 0.00 H new ATOM 582 N ALA A 36 1.345 0.145 1.902 1.00 0.00 N ATOM 583 CA ALA A 36 0.459 -0.969 1.611 1.00 0.00 C ATOM 584 C ALA A 36 1.260 -2.087 0.957 1.00 0.00 C ATOM 585 O ALA A 36 1.712 -1.946 -0.178 1.00 0.00 O ATOM 586 CB ALA A 36 -0.681 -0.525 0.707 1.00 0.00 C ATOM 0 H ALA A 36 1.504 0.770 1.112 1.00 0.00 H new ATOM 0 HA ALA A 36 0.023 -1.335 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.333 -1.374 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.253 0.260 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.275 -0.143 -0.230 1.00 0.00 H new ATOM 592 N LEU A 37 1.457 -3.180 1.690 1.00 0.00 N ATOM 593 CA LEU A 37 2.234 -4.313 1.190 1.00 0.00 C ATOM 594 C LEU A 37 1.400 -5.241 0.308 1.00 0.00 C ATOM 595 O LEU A 37 1.867 -6.310 -0.085 1.00 0.00 O ATOM 596 CB LEU A 37 2.817 -5.104 2.361 1.00 0.00 C ATOM 597 CG LEU A 37 3.457 -4.257 3.460 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.523 -5.035 4.765 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.846 -3.801 3.036 1.00 0.00 C ATOM 0 H LEU A 37 1.089 -3.306 2.633 1.00 0.00 H new ATOM 0 HA LEU A 37 3.039 -3.908 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.024 -5.706 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.565 -5.796 1.975 1.00 0.00 H new ATOM 0 HG LEU A 37 2.838 -3.374 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.982 -4.415 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.515 -5.312 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.119 -5.936 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.289 -3.199 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.473 -4.672 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.771 -3.205 2.126 1.00 0.00 H new ATOM 611 N GLU A 38 0.171 -4.842 -0.003 1.00 0.00 N ATOM 612 CA GLU A 38 -0.698 -5.660 -0.839 1.00 0.00 C ATOM 613 C GLU A 38 -1.656 -4.790 -1.652 1.00 0.00 C ATOM 614 O GLU A 38 -2.136 -3.766 -1.165 1.00 0.00 O ATOM 615 CB GLU A 38 -1.486 -6.648 0.025 1.00 0.00 C ATOM 616 CG GLU A 38 -1.251 -8.103 -0.343 1.00 0.00 C ATOM 617 CD GLU A 38 0.218 -8.475 -0.347 1.00 0.00 C ATOM 618 OE1 GLU A 38 0.884 -8.256 -1.382 1.00 0.00 O ATOM 619 OE2 GLU A 38 0.704 -8.985 0.684 1.00 0.00 O ATOM 0 H GLU A 38 -0.243 -3.963 0.309 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.072 -6.218 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.216 -6.499 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.550 -6.427 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.782 -8.742 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.673 -8.297 -1.329 1.00 0.00 H new ATOM 626 N PRO A 39 -1.949 -5.185 -2.904 1.00 0.00 N ATOM 627 CA PRO A 39 -2.855 -4.431 -3.776 1.00 0.00 C ATOM 628 C PRO A 39 -4.273 -4.375 -3.217 1.00 0.00 C ATOM 629 O PRO A 39 -4.813 -5.388 -2.773 1.00 0.00 O ATOM 630 CB PRO A 39 -2.836 -5.214 -5.096 1.00 0.00 C ATOM 631 CG PRO A 39 -1.625 -6.080 -5.024 1.00 0.00 C ATOM 632 CD PRO A 39 -1.427 -6.391 -3.570 1.00 0.00 C ATOM 0 HA PRO A 39 -2.540 -3.393 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.740 -5.812 -5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.787 -4.541 -5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.763 -6.993 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.755 -5.569 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.972 -7.286 -3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.377 -6.562 -3.332 1.00 0.00 H new ATOM 640 N ALA A 40 -4.874 -3.188 -3.239 1.00 0.00 N ATOM 641 CA ALA A 40 -6.230 -3.017 -2.731 1.00 0.00 C ATOM 642 C ALA A 40 -6.861 -1.726 -3.243 1.00 0.00 C ATOM 643 O ALA A 40 -6.194 -0.898 -3.864 1.00 0.00 O ATOM 644 CB ALA A 40 -6.229 -3.038 -1.210 1.00 0.00 C ATOM 0 H ALA A 40 -4.446 -2.336 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.831 -3.849 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.248 -2.909 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.835 -3.992 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.604 -2.228 -0.835 1.00 0.00 H new ATOM 650 N TRP A 41 -8.151 -1.563 -2.970 1.00 0.00 N ATOM 651 CA TRP A 41 -8.884 -0.375 -3.394 1.00 0.00 C ATOM 652 C TRP A 41 -9.300 0.458 -2.186 1.00 0.00 C ATOM 653 O TRP A 41 -10.216 0.087 -1.452 1.00 0.00 O ATOM 654 CB TRP A 41 -10.120 -0.773 -4.203 1.00 0.00 C ATOM 655 CG TRP A 41 -9.797 -1.272 -5.578 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.712 -0.940 -6.334 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.566 -2.190 -6.360 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.758 -1.596 -7.540 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.888 -2.371 -7.579 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.765 -2.880 -6.147 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.367 -3.211 -8.581 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -12.238 -3.713 -7.143 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.541 -3.873 -8.346 1.00 0.00 C ATOM 0 H TRP A 41 -8.713 -2.241 -2.455 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.227 0.225 -4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.665 -1.547 -3.663 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.785 0.087 -4.284 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.930 -0.260 -6.029 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.065 -1.519 -8.284 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.310 -2.764 -5.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.831 -3.335 -9.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.162 -4.250 -6.990 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.938 -4.532 -9.104 1.00 0.00 H new ATOM 674 N ILE A 42 -8.622 1.581 -1.984 1.00 0.00 N ATOM 675 CA ILE A 42 -8.926 2.461 -0.863 1.00 0.00 C ATOM 676 C ILE A 42 -10.085 3.392 -1.196 1.00 0.00 C ATOM 677 O ILE A 42 -9.990 4.223 -2.099 1.00 0.00 O ATOM 678 CB ILE A 42 -7.701 3.305 -0.461 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.470 2.412 -0.298 1.00 0.00 C ATOM 680 CG2 ILE A 42 -7.982 4.066 0.826 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.595 1.411 0.829 1.00 0.00 C ATOM 0 H ILE A 42 -7.860 1.903 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.206 1.822 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.501 4.027 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.293 1.877 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.597 3.040 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.108 4.658 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.836 4.727 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.204 3.359 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.686 0.812 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.741 1.940 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.448 0.759 0.643 1.00 0.00 H new ATOM 693 N THR A 43 -11.182 3.243 -0.461 1.00 0.00 N ATOM 694 CA THR A 43 -12.366 4.065 -0.677 1.00 0.00 C ATOM 695 C THR A 43 -12.198 5.443 -0.050 1.00 0.00 C ATOM 696 O THR A 43 -11.268 5.677 0.722 1.00 0.00 O ATOM 697 CB THR A 43 -13.600 3.379 -0.091 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.248 2.588 1.030 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.313 2.484 -1.079 1.00 0.00 C ATOM 0 H THR A 43 -11.275 2.560 0.290 1.00 0.00 H new ATOM 0 HA THR A 43 -12.498 4.188 -1.752 1.00 0.00 H new ATOM 0 HB THR A 43 -14.273 4.188 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.051 2.158 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.179 2.029 -0.598 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.641 3.075 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.633 1.702 -1.418 1.00 0.00 H new ATOM 707 N ALA A 44 -13.109 6.351 -0.383 1.00 0.00 N ATOM 708 CA ALA A 44 -13.067 7.705 0.151 1.00 0.00 C ATOM 709 C ALA A 44 -13.086 7.687 1.674 1.00 0.00 C ATOM 710 O ALA A 44 -12.343 8.424 2.323 1.00 0.00 O ATOM 711 CB ALA A 44 -14.233 8.521 -0.385 1.00 0.00 C ATOM 0 H ALA A 44 -13.885 6.173 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.136 8.172 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.188 9.531 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.176 8.566 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.172 8.052 -0.090 1.00 0.00 H new ATOM 717 N GLN A 45 -13.940 6.839 2.240 1.00 0.00 N ATOM 718 CA GLN A 45 -14.067 6.714 3.661 1.00 0.00 C ATOM 719 C GLN A 45 -12.752 6.312 4.315 1.00 0.00 C ATOM 720 O GLN A 45 -12.426 6.777 5.397 1.00 0.00 O ATOM 721 CB GLN A 45 -15.132 5.672 3.932 1.00 0.00 C ATOM 722 CG GLN A 45 -16.341 6.229 4.637 1.00 0.00 C ATOM 723 CD GLN A 45 -16.480 5.729 6.062 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.358 6.637 7.022 1.00 0.00 O flip ATOM 725 NE2 GLN A 45 -16.696 4.540 6.296 1.00 0.00 N flip ATOM 0 H GLN A 45 -14.559 6.224 1.711 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.344 7.677 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.444 5.226 2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.703 4.872 4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.281 7.317 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.237 5.963 4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.783 3.876 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.788 4.218 7.260 1.00 0.00 H new ATOM 734 N GLN A 46 -11.998 5.444 3.658 1.00 0.00 N ATOM 735 CA GLN A 46 -10.730 4.987 4.200 1.00 0.00 C ATOM 736 C GLN A 46 -9.786 6.160 4.438 1.00 0.00 C ATOM 737 O GLN A 46 -9.005 6.158 5.389 1.00 0.00 O ATOM 738 CB GLN A 46 -10.091 3.978 3.248 1.00 0.00 C ATOM 739 CG GLN A 46 -10.861 2.673 3.137 1.00 0.00 C ATOM 740 CD GLN A 46 -10.462 1.668 4.200 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.139 2.036 5.329 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.481 0.389 3.842 1.00 0.00 N ATOM 0 H GLN A 46 -12.242 5.044 2.752 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.918 4.504 5.159 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.009 4.427 2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.077 3.764 3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.929 2.877 3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.693 2.239 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.755 0.129 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.221 -0.333 4.514 1.00 0.00 H new ATOM 751 N ILE A 47 -9.861 7.160 3.568 1.00 0.00 N ATOM 752 CA ILE A 47 -9.011 8.338 3.686 1.00 0.00 C ATOM 753 C ILE A 47 -9.413 9.206 4.877 1.00 0.00 C ATOM 754 O ILE A 47 -8.571 9.580 5.693 1.00 0.00 O ATOM 755 CB ILE A 47 -9.055 9.192 2.403 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.802 8.317 1.172 1.00 0.00 C ATOM 757 CG2 ILE A 47 -8.032 10.316 2.479 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.237 8.961 -0.127 1.00 0.00 C ATOM 0 H ILE A 47 -10.501 7.179 2.774 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.995 7.974 3.841 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.047 9.635 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.739 8.084 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.330 7.371 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.075 10.910 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.253 10.952 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.034 9.893 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.028 8.285 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.306 9.169 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.691 9.893 -0.272 1.00 0.00 H new ATOM 770 N GLU A 48 -10.699 9.533 4.968 1.00 0.00 N ATOM 771 CA GLU A 48 -11.203 10.368 6.057 1.00 0.00 C ATOM 772 C GLU A 48 -11.477 9.548 7.317 1.00 0.00 C ATOM 773 O GLU A 48 -11.103 9.946 8.420 1.00 0.00 O ATOM 774 CB GLU A 48 -12.477 11.091 5.619 1.00 0.00 C ATOM 775 CG GLU A 48 -12.615 12.487 6.203 1.00 0.00 C ATOM 776 CD GLU A 48 -11.690 13.489 5.540 1.00 0.00 C ATOM 777 OE1 GLU A 48 -10.694 13.059 4.922 1.00 0.00 O ATOM 778 OE2 GLU A 48 -11.963 14.705 5.638 1.00 0.00 O ATOM 0 H GLU A 48 -11.411 9.234 4.302 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.432 11.101 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.491 11.158 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.342 10.496 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.646 12.822 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.402 12.453 7.271 1.00 0.00 H new ATOM 785 N ALA A 49 -12.139 8.408 7.146 1.00 0.00 N ATOM 786 CA ALA A 49 -12.472 7.535 8.270 1.00 0.00 C ATOM 787 C ALA A 49 -11.229 7.169 9.074 1.00 0.00 C ATOM 788 O ALA A 49 -11.224 7.260 10.301 1.00 0.00 O ATOM 789 CB ALA A 49 -13.176 6.275 7.777 1.00 0.00 C ATOM 0 H ALA A 49 -12.456 8.065 6.239 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.149 8.081 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.417 5.636 8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.094 6.551 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.521 5.736 7.093 1.00 0.00 H new ATOM 795 N ALA A 50 -10.177 6.757 8.376 1.00 0.00 N ATOM 796 CA ALA A 50 -8.930 6.379 9.027 1.00 0.00 C ATOM 797 C ALA A 50 -8.265 7.587 9.678 1.00 0.00 C ATOM 798 O ALA A 50 -7.745 7.498 10.789 1.00 0.00 O ATOM 799 CB ALA A 50 -7.986 5.729 8.026 1.00 0.00 C ATOM 0 H ALA A 50 -10.164 6.676 7.359 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.162 5.657 9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.059 5.452 8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.454 4.837 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.768 6.432 7.222 1.00 0.00 H new ATOM 805 N ARG A 51 -8.286 8.718 8.978 1.00 0.00 N ATOM 806 CA ARG A 51 -7.685 9.944 9.490 1.00 0.00 C ATOM 807 C ARG A 51 -8.333 10.356 10.809 1.00 0.00 C ATOM 808 O ARG A 51 -7.647 10.751 11.752 1.00 0.00 O ATOM 809 CB ARG A 51 -7.820 11.071 8.462 1.00 0.00 C ATOM 810 CG ARG A 51 -6.487 11.545 7.903 1.00 0.00 C ATOM 811 CD ARG A 51 -6.471 13.052 7.701 1.00 0.00 C ATOM 812 NE ARG A 51 -6.692 13.419 6.305 1.00 0.00 N ATOM 813 CZ ARG A 51 -6.380 14.608 5.793 1.00 0.00 C ATOM 814 NH1 ARG A 51 -5.833 15.546 6.557 1.00 0.00 N ATOM 815 NH2 ARG A 51 -6.614 14.859 4.512 1.00 0.00 N ATOM 0 H ARG A 51 -8.712 8.810 8.056 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.627 9.755 9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.449 10.729 7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.332 11.915 8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.684 11.260 8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.292 11.048 6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.241 13.509 8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.513 13.452 8.034 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.110 12.724 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.649 15.358 7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.596 16.455 6.158 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.033 14.142 3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.375 15.769 4.119 1.00 0.00 H new ATOM 829 N VAL A 52 -9.657 10.258 10.870 1.00 0.00 N ATOM 830 CA VAL A 52 -10.397 10.618 12.074 1.00 0.00 C ATOM 831 C VAL A 52 -9.925 9.800 13.272 1.00 0.00 C ATOM 832 O VAL A 52 -9.811 10.316 14.384 1.00 0.00 O ATOM 833 CB VAL A 52 -11.912 10.409 11.885 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.677 10.888 13.110 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.399 11.119 10.629 1.00 0.00 C ATOM 0 H VAL A 52 -10.240 9.932 10.099 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.206 11.675 12.261 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.099 9.342 11.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.745 10.732 12.956 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.350 10.327 13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.485 11.949 13.267 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.471 10.959 10.513 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.198 12.187 10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.877 10.720 9.760 1.00 0.00 H new ATOM 845 N ALA A 53 -9.654 8.520 13.037 1.00 0.00 N ATOM 846 CA ALA A 53 -9.195 7.628 14.093 1.00 0.00 C ATOM 847 C ALA A 53 -7.755 7.941 14.487 1.00 0.00 C ATOM 848 O ALA A 53 -7.401 7.911 15.665 1.00 0.00 O ATOM 849 CB ALA A 53 -9.320 6.179 13.648 1.00 0.00 C ATOM 0 H ALA A 53 -9.745 8.078 12.122 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.825 7.784 14.968 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.974 5.522 14.446 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.363 5.957 13.422 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.713 6.018 12.757 1.00 0.00 H new ATOM 855 N MET A 54 -6.929 8.238 13.490 1.00 0.00 N ATOM 856 CA MET A 54 -5.525 8.552 13.723 1.00 0.00 C ATOM 857 C MET A 54 -5.366 9.915 14.392 1.00 0.00 C ATOM 858 O MET A 54 -4.669 10.046 15.398 1.00 0.00 O ATOM 859 CB MET A 54 -4.755 8.526 12.404 1.00 0.00 C ATOM 860 CG MET A 54 -4.697 7.149 11.767 1.00 0.00 C ATOM 861 SD MET A 54 -3.478 7.048 10.444 1.00 0.00 S ATOM 862 CE MET A 54 -4.401 7.763 9.087 1.00 0.00 C ATOM 0 H MET A 54 -7.209 8.268 12.510 1.00 0.00 H new ATOM 0 HA MET A 54 -5.118 7.795 14.394 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.221 9.222 11.706 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.739 8.881 12.578 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.460 6.409 12.531 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.680 6.895 11.371 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.520 7.021 8.297 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.383 8.077 9.440 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.863 8.627 8.696 1.00 0.00 H new ATOM 872 N VAL A 55 -6.014 10.929 13.825 1.00 0.00 N ATOM 873 CA VAL A 55 -5.939 12.281 14.367 1.00 0.00 C ATOM 874 C VAL A 55 -6.392 12.314 15.823 1.00 0.00 C ATOM 875 O VAL A 55 -5.804 13.009 16.652 1.00 0.00 O ATOM 876 CB VAL A 55 -6.799 13.265 13.549 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.628 14.686 14.065 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.447 13.184 12.071 1.00 0.00 C ATOM 0 H VAL A 55 -6.596 10.840 12.992 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.895 12.589 14.307 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.845 12.984 13.667 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.243 15.364 13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.936 14.733 15.109 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.582 14.980 13.982 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.065 13.886 11.511 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.396 13.436 11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.628 12.172 11.709 1.00 0.00 H new ATOM 888 N ARG A 56 -7.441 11.558 16.128 1.00 0.00 N ATOM 889 CA ARG A 56 -7.974 11.499 17.483 1.00 0.00 C ATOM 890 C ARG A 56 -7.078 10.660 18.390 1.00 0.00 C ATOM 891 O ARG A 56 -7.008 10.893 19.597 1.00 0.00 O ATOM 892 CB ARG A 56 -9.390 10.920 17.470 1.00 0.00 C ATOM 893 CG ARG A 56 -10.469 11.959 17.213 1.00 0.00 C ATOM 894 CD ARG A 56 -11.833 11.313 17.038 1.00 0.00 C ATOM 895 NE ARG A 56 -12.916 12.290 17.116 1.00 0.00 N ATOM 896 CZ ARG A 56 -14.188 11.970 17.342 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.541 10.703 17.516 1.00 0.00 N ATOM 898 NH2 ARG A 56 -15.111 12.922 17.397 1.00 0.00 N ATOM 0 H ARG A 56 -7.939 10.977 15.454 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.005 12.515 17.877 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.451 10.148 16.703 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.584 10.435 18.427 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.503 12.663 18.044 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.219 12.532 16.320 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.872 10.805 16.075 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.975 10.552 17.806 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.684 13.275 16.990 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.836 9.967 17.477 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.518 10.465 17.689 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.845 13.898 17.266 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.086 12.678 17.570 1.00 0.00 H new ATOM 912 N HIS A 57 -6.396 9.681 17.801 1.00 0.00 N ATOM 913 CA HIS A 57 -5.509 8.805 18.557 1.00 0.00 C ATOM 914 C HIS A 57 -4.380 9.595 19.213 1.00 0.00 C ATOM 915 O HIS A 57 -4.126 9.454 20.410 1.00 0.00 O ATOM 916 CB HIS A 57 -4.925 7.724 17.646 1.00 0.00 C ATOM 917 CG HIS A 57 -4.308 6.582 18.393 1.00 0.00 C ATOM 918 ND1 HIS A 57 -5.021 5.773 19.252 1.00 0.00 N ATOM 919 CD2 HIS A 57 -3.037 6.115 18.406 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.215 4.858 19.763 1.00 0.00 C ATOM 921 NE2 HIS A 57 -3.007 5.044 19.265 1.00 0.00 N ATOM 0 H HIS A 57 -6.441 9.475 16.803 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.098 8.332 19.343 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.714 7.340 16.999 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.172 8.173 16.999 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.015 5.866 19.461 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.203 6.511 17.846 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.497 4.090 20.468 1.00 0.00 H new ATOM 930 N PHE A 58 -3.704 10.425 18.425 1.00 0.00 N ATOM 931 CA PHE A 58 -2.600 11.236 18.933 1.00 0.00 C ATOM 932 C PHE A 58 -3.026 12.030 20.166 1.00 0.00 C ATOM 933 O PHE A 58 -3.729 13.035 20.056 1.00 0.00 O ATOM 934 CB PHE A 58 -2.094 12.189 17.849 1.00 0.00 C ATOM 935 CG PHE A 58 -1.852 11.522 16.525 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.893 10.530 16.397 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.584 11.889 15.406 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.669 9.916 15.179 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.364 11.280 14.186 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.405 10.291 14.072 1.00 0.00 C ATOM 0 H PHE A 58 -3.900 10.555 17.432 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.793 10.562 19.219 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.820 12.991 17.715 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.167 12.652 18.188 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.314 10.233 17.259 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.335 12.660 15.489 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.081 9.144 15.093 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.941 11.576 13.322 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.232 9.813 13.119 1.00 0.00 H new ATOM 950 N ARG A 59 -2.595 11.571 21.336 1.00 0.00 N ATOM 951 CA ARG A 59 -2.931 12.237 22.590 1.00 0.00 C ATOM 952 C ARG A 59 -2.392 13.662 22.612 1.00 0.00 C ATOM 953 O ARG A 59 -3.009 14.561 23.181 1.00 0.00 O ATOM 954 CB ARG A 59 -2.373 11.448 23.775 1.00 0.00 C ATOM 955 CG ARG A 59 -3.069 10.115 23.998 1.00 0.00 C ATOM 956 CD ARG A 59 -2.107 9.068 24.536 1.00 0.00 C ATOM 957 NE ARG A 59 -2.769 7.788 24.779 1.00 0.00 N ATOM 958 CZ ARG A 59 -3.057 6.909 23.823 1.00 0.00 C ATOM 959 NH1 ARG A 59 -2.742 7.166 22.559 1.00 0.00 N ATOM 960 NH2 ARG A 59 -3.661 5.769 24.130 1.00 0.00 N ATOM 0 H ARG A 59 -2.012 10.741 21.443 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.017 12.280 22.670 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.309 11.271 23.615 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.463 12.052 24.678 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.894 10.247 24.698 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.500 9.767 23.059 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.292 8.926 23.826 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.662 9.428 25.464 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.025 7.555 25.738 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.277 8.041 22.317 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.965 6.488 21.830 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.905 5.566 25.099 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.882 5.095 23.397 1.00 0.00 H new ATOM 974 N ARG A 60 -1.235 13.861 21.988 1.00 0.00 N ATOM 975 CA ARG A 60 -0.611 15.178 21.937 1.00 0.00 C ATOM 976 C ARG A 60 -0.840 15.834 20.579 1.00 0.00 C ATOM 977 O ARG A 60 0.004 16.585 20.091 1.00 0.00 O ATOM 978 CB ARG A 60 0.888 15.067 22.217 1.00 0.00 C ATOM 979 CG ARG A 60 1.209 14.484 23.583 1.00 0.00 C ATOM 980 CD ARG A 60 0.677 15.364 24.703 1.00 0.00 C ATOM 981 NE ARG A 60 0.901 14.770 26.019 1.00 0.00 N ATOM 982 CZ ARG A 60 0.243 15.134 27.118 1.00 0.00 C ATOM 983 NH1 ARG A 60 -0.678 16.089 27.063 1.00 0.00 N ATOM 984 NH2 ARG A 60 0.506 14.542 28.275 1.00 0.00 N ATOM 0 H ARG A 60 -0.711 13.127 21.511 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.070 15.801 22.704 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.348 14.446 21.449 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.338 16.057 22.138 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.776 13.487 23.665 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.288 14.372 23.688 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.161 16.340 24.658 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.390 15.531 24.557 1.00 0.00 H new ATOM 0 HE ARG A 60 1.602 14.034 26.101 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.885 16.548 26.176 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.179 16.364 27.908 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.212 13.808 28.323 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.002 14.821 29.117 1.00 0.00 H new ATOM 998 N GLY A 61 -1.988 15.545 19.975 1.00 0.00 N ATOM 999 CA GLY A 61 -2.308 16.115 18.679 1.00 0.00 C ATOM 1000 C GLY A 61 -1.338 15.678 17.599 1.00 0.00 C ATOM 1001 O GLY A 61 -0.293 15.099 17.890 1.00 0.00 O ATOM 0 H GLY A 61 -2.702 14.927 20.360 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.319 15.822 18.396 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.300 17.203 18.752 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.686 15.958 16.347 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.829 15.585 15.238 1.00 0.00 C ATOM 1007 C GLY A 62 -1.495 15.799 13.892 1.00 0.00 C ATOM 1008 O GLY A 62 -2.687 16.098 13.822 1.00 0.00 O ATOM 0 H GLY A 62 -2.547 16.437 16.081 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.091 16.168 15.282 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.547 14.537 15.338 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.723 15.647 12.820 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.245 15.827 11.470 1.00 0.00 C ATOM 1014 C LYS A 63 -0.816 14.678 10.564 1.00 0.00 C ATOM 1015 O LYS A 63 0.264 14.111 10.732 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.764 17.157 10.889 1.00 0.00 C ATOM 1017 CG LYS A 63 0.742 17.347 10.962 1.00 0.00 C ATOM 1018 CD LYS A 63 1.109 18.803 11.193 1.00 0.00 C ATOM 1019 CE LYS A 63 2.534 18.945 11.701 1.00 0.00 C ATOM 1020 NZ LYS A 63 2.801 20.310 12.232 1.00 0.00 N ATOM 0 H LYS A 63 0.266 15.400 12.860 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.334 15.835 11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.080 17.224 9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.251 17.974 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.148 16.736 11.768 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.199 16.998 10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.996 19.360 10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.419 19.243 11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.715 18.209 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.231 18.727 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.783 20.366 12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.653 21.011 11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.153 20.508 13.021 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.668 14.340 9.602 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.377 13.257 8.669 1.00 0.00 C ATOM 1036 C ILE A 64 -1.433 13.745 7.226 1.00 0.00 C ATOM 1037 O ILE A 64 -2.364 14.449 6.834 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.362 12.081 8.829 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.732 11.877 10.300 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.763 10.808 8.250 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.701 10.737 10.525 1.00 0.00 C ATOM 0 H ILE A 64 -2.565 14.800 9.448 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.370 12.912 8.903 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.273 12.320 8.280 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.824 11.690 10.873 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.169 12.797 10.688 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.469 9.986 8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.553 10.954 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.837 10.570 8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.919 10.650 11.589 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.625 10.932 9.980 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.258 9.807 10.168 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.438 13.356 6.437 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.380 13.744 5.034 1.00 0.00 C ATOM 1055 C PHE A 65 -0.845 12.597 4.145 1.00 0.00 C ATOM 1056 O PHE A 65 -0.157 11.584 4.011 1.00 0.00 O ATOM 1057 CB PHE A 65 1.044 14.156 4.654 1.00 0.00 C ATOM 1058 CG PHE A 65 1.589 15.280 5.487 1.00 0.00 C ATOM 1059 CD1 PHE A 65 2.216 15.023 6.695 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.475 16.594 5.062 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.719 16.056 7.465 1.00 0.00 C ATOM 1062 CE2 PHE A 65 1.976 17.631 5.826 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.599 17.361 7.029 1.00 0.00 C ATOM 0 H PHE A 65 0.339 12.772 6.746 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.045 14.595 4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.701 13.292 4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.060 14.452 3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.313 14.004 7.040 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.989 16.810 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.205 15.842 8.406 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.881 18.651 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.992 18.169 7.628 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.018 12.756 3.543 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.574 11.727 2.673 1.00 0.00 C ATOM 1075 C ILE A 66 -2.170 11.958 1.221 1.00 0.00 C ATOM 1076 O ILE A 66 -2.164 13.091 0.740 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.114 11.675 2.761 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.586 11.973 4.187 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.621 10.314 2.307 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.981 11.058 5.229 1.00 0.00 C ATOM 0 H ILE A 66 -2.602 13.587 3.641 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.168 10.776 3.018 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.523 12.439 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.339 13.005 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.672 11.887 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.709 10.290 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.317 10.138 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.201 9.537 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.361 11.328 6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.250 10.025 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.896 11.161 5.218 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.832 10.876 0.528 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.426 10.960 -0.870 1.00 0.00 C ATOM 1094 C ARG A 67 -2.241 10.005 -1.738 1.00 0.00 C ATOM 1095 O ARG A 67 -1.805 9.609 -2.819 1.00 0.00 O ATOM 1096 CB ARG A 67 0.065 10.645 -1.009 1.00 0.00 C ATOM 1097 CG ARG A 67 0.679 11.168 -2.298 1.00 0.00 C ATOM 1098 CD ARG A 67 1.932 11.987 -2.031 1.00 0.00 C ATOM 1099 NE ARG A 67 2.329 12.777 -3.193 1.00 0.00 N ATOM 1100 CZ ARG A 67 1.665 13.848 -3.622 1.00 0.00 C ATOM 1101 NH1 ARG A 67 0.575 14.261 -2.987 1.00 0.00 N ATOM 1102 NH2 ARG A 67 2.094 14.509 -4.688 1.00 0.00 N ATOM 0 H ARG A 67 -1.831 9.931 0.911 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.611 11.978 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.599 11.074 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.206 9.565 -0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.924 10.330 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.051 11.781 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.757 12.651 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.747 11.320 -1.750 1.00 0.00 H new ATOM 0 HE ARG A 67 3.163 12.492 -3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.242 13.757 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.071 15.082 -3.321 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.932 14.197 -5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.586 15.330 -5.018 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.428 9.640 -1.261 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.300 8.733 -1.998 1.00 0.00 C ATOM 1118 C ILE A 68 -5.667 9.365 -2.243 1.00 0.00 C ATOM 1119 O ILE A 68 -6.304 9.867 -1.317 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.483 7.395 -1.252 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.184 7.618 0.091 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.137 6.714 -1.047 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.378 6.348 0.888 1.00 0.00 C ATOM 0 H ILE A 68 -3.807 9.958 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.818 8.538 -2.956 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.111 6.744 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.601 8.324 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.156 8.078 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.283 5.771 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.676 6.520 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.487 7.362 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.880 6.581 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.986 5.648 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.408 5.898 1.098 1.00 0.00 H new ATOM 1135 N PHE A 69 -6.109 9.340 -3.495 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.396 9.912 -3.862 1.00 0.00 C ATOM 1137 C PHE A 69 -8.243 8.894 -4.624 1.00 0.00 C ATOM 1138 O PHE A 69 -7.716 8.097 -5.401 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.186 11.162 -4.717 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.218 12.445 -3.934 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -8.172 12.654 -2.951 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -6.291 13.445 -4.186 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -8.200 13.833 -2.232 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -6.315 14.627 -3.470 1.00 0.00 C ATOM 1145 CZ PHE A 69 -7.270 14.822 -2.493 1.00 0.00 C ATOM 0 H PHE A 69 -5.593 8.929 -4.273 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.925 10.186 -2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.227 11.084 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.957 11.198 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.902 11.886 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.542 13.299 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.947 13.982 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.587 15.398 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.291 15.745 -1.933 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.571 8.905 -4.414 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.481 7.978 -5.085 1.00 0.00 C ATOM 1157 C PRO A 70 -10.807 8.417 -6.510 1.00 0.00 C ATOM 1158 O PRO A 70 -11.586 9.346 -6.720 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.730 8.031 -4.210 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.734 9.411 -3.647 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.289 9.819 -3.504 1.00 0.00 C ATOM 0 HA PRO A 70 -10.054 6.981 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.631 7.837 -4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.693 7.280 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.268 10.097 -4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.241 9.435 -2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.139 10.862 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.943 9.712 -2.476 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.347 4.532 -5.932 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.304 4.050 -5.036 1.00 0.00 C ATOM 1541 C VAL A 94 -9.917 4.326 -5.606 1.00 0.00 C ATOM 1542 O VAL A 94 -9.748 4.460 -6.818 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.440 2.539 -4.771 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.678 2.249 -3.941 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.474 1.768 -6.082 1.00 0.00 C ATOM 0 HA VAL A 94 -11.425 4.590 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.569 2.210 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.755 1.176 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.606 2.769 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.563 2.594 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.570 0.702 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.324 2.100 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.552 1.948 -6.634 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.926 4.405 -4.725 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.553 4.659 -5.140 1.00 0.00 C ATOM 1557 C ALA A 95 -6.754 3.362 -5.187 1.00 0.00 C ATOM 1558 O ALA A 95 -6.337 2.840 -4.153 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.893 5.657 -4.202 1.00 0.00 C ATOM 0 H ALA A 95 -9.049 4.297 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.571 5.084 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.868 5.837 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.448 6.595 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.889 5.256 -3.188 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.547 2.845 -6.393 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.801 1.604 -6.575 1.00 0.00 C ATOM 1567 C VAL A 96 -4.389 1.725 -6.014 1.00 0.00 C ATOM 1568 O VAL A 96 -3.664 2.671 -6.325 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.720 1.201 -8.060 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.238 -0.236 -8.195 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -7.070 1.382 -8.739 1.00 0.00 C ATOM 0 H VAL A 96 -6.885 3.265 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.342 0.831 -6.030 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.000 1.853 -8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.186 -0.505 -9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.249 -0.332 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.933 -0.902 -7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.992 1.092 -9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.813 0.757 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.373 2.427 -8.673 1.00 0.00 H new ATOM 1581 N VAL A 97 -4.004 0.761 -5.185 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.679 0.758 -4.579 1.00 0.00 C ATOM 1583 C VAL A 97 -1.948 -0.552 -4.855 1.00 0.00 C ATOM 1584 O VAL A 97 -2.570 -1.571 -5.152 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.758 0.970 -3.055 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.367 1.147 -2.471 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.638 2.165 -2.724 1.00 0.00 C ATOM 0 H VAL A 97 -4.592 -0.029 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.127 1.583 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.208 0.084 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.441 1.296 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.771 0.257 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.889 2.015 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.680 2.297 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.222 3.062 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.644 1.994 -3.108 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.623 -0.515 -4.749 1.00 0.00 N ATOM 1598 CA LYS A 98 0.196 -1.697 -4.980 1.00 0.00 C ATOM 1599 C LYS A 98 1.191 -1.897 -3.837 1.00 0.00 C ATOM 1600 O LYS A 98 1.546 -0.946 -3.140 1.00 0.00 O ATOM 1601 CB LYS A 98 0.945 -1.574 -6.308 1.00 0.00 C ATOM 1602 CG LYS A 98 1.606 -0.221 -6.512 1.00 0.00 C ATOM 1603 CD LYS A 98 2.104 -0.052 -7.938 1.00 0.00 C ATOM 1604 CE LYS A 98 1.121 0.747 -8.779 1.00 0.00 C ATOM 1605 NZ LYS A 98 -0.065 -0.065 -9.170 1.00 0.00 N ATOM 0 H LYS A 98 -0.095 0.322 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.463 -2.564 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.707 -2.352 -6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.248 -1.755 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.895 0.571 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.441 -0.115 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.071 0.451 -7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.258 -1.032 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.793 1.623 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.623 1.111 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.606 0.440 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.251 -0.982 -9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.669 -0.220 -8.338 1.00 0.00 H new ATOM 1619 N PRO A 99 1.659 -3.140 -3.633 1.00 0.00 N ATOM 1620 CA PRO A 99 2.618 -3.464 -2.573 1.00 0.00 C ATOM 1621 C PRO A 99 3.806 -2.506 -2.557 1.00 0.00 C ATOM 1622 O PRO A 99 4.625 -2.500 -3.475 1.00 0.00 O ATOM 1623 CB PRO A 99 3.079 -4.892 -2.912 1.00 0.00 C ATOM 1624 CG PRO A 99 2.507 -5.197 -4.261 1.00 0.00 C ATOM 1625 CD PRO A 99 1.297 -4.326 -4.414 1.00 0.00 C ATOM 0 HA PRO A 99 2.169 -3.380 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.167 -4.959 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.724 -5.604 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.234 -4.993 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.240 -6.251 -4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.103 -4.081 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.399 -4.808 -4.028 1.00 0.00 H new ATOM 1633 N GLY A 100 3.886 -1.697 -1.505 1.00 0.00 N ATOM 1634 CA GLY A 100 4.970 -0.743 -1.384 1.00 0.00 C ATOM 1635 C GLY A 100 4.536 0.668 -1.728 1.00 0.00 C ATOM 1636 O GLY A 100 5.294 1.424 -2.337 1.00 0.00 O ATOM 0 H GLY A 100 3.218 -1.686 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.357 -0.763 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.787 -1.040 -2.041 1.00 0.00 H new ATOM 1640 N ARG A 101 3.311 1.023 -1.350 1.00 0.00 N ATOM 1641 CA ARG A 101 2.781 2.356 -1.636 1.00 0.00 C ATOM 1642 C ARG A 101 2.483 3.133 -0.355 1.00 0.00 C ATOM 1643 O ARG A 101 1.798 2.637 0.538 1.00 0.00 O ATOM 1644 CB ARG A 101 1.507 2.248 -2.472 1.00 0.00 C ATOM 1645 CG ARG A 101 1.436 3.253 -3.608 1.00 0.00 C ATOM 1646 CD ARG A 101 2.261 2.799 -4.798 1.00 0.00 C ATOM 1647 NE ARG A 101 1.918 3.532 -6.015 1.00 0.00 N ATOM 1648 CZ ARG A 101 2.704 3.599 -7.087 1.00 0.00 C ATOM 1649 NH1 ARG A 101 3.878 2.978 -7.098 1.00 0.00 N ATOM 1650 NH2 ARG A 101 2.316 4.288 -8.152 1.00 0.00 N ATOM 0 H ARG A 101 2.668 0.411 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 101 3.545 2.898 -2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.438 1.241 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.643 2.386 -1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.398 3.388 -3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.795 4.222 -3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.320 2.937 -4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.105 1.733 -4.961 1.00 0.00 H new ATOM 0 HE ARG A 101 1.023 4.021 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.181 2.446 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.476 3.033 -7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.415 4.767 -8.149 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.918 4.339 -8.973 1.00 0.00 H new ATOM 1664 N VAL A 102 2.988 4.361 -0.283 1.00 0.00 N ATOM 1665 CA VAL A 102 2.764 5.214 0.880 1.00 0.00 C ATOM 1666 C VAL A 102 1.395 5.882 0.810 1.00 0.00 C ATOM 1667 O VAL A 102 1.194 6.828 0.049 1.00 0.00 O ATOM 1668 CB VAL A 102 3.842 6.307 0.996 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.735 7.026 2.333 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.229 5.713 0.812 1.00 0.00 C ATOM 0 H VAL A 102 3.555 4.788 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 102 2.814 4.569 1.758 1.00 0.00 H new ATOM 0 HB VAL A 102 3.677 7.037 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.505 7.795 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.752 7.489 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.871 6.310 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.977 6.501 0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.407 4.960 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.299 5.251 -0.173 1.00 0.00 H new ATOM 1680 N MET A 103 0.454 5.383 1.605 1.00 0.00 N ATOM 1681 CA MET A 103 -0.897 5.934 1.625 1.00 0.00 C ATOM 1682 C MET A 103 -1.070 6.963 2.740 1.00 0.00 C ATOM 1683 O MET A 103 -1.870 7.890 2.617 1.00 0.00 O ATOM 1684 CB MET A 103 -1.928 4.815 1.794 1.00 0.00 C ATOM 1685 CG MET A 103 -1.586 3.544 1.032 1.00 0.00 C ATOM 1686 SD MET A 103 -0.702 2.347 2.049 1.00 0.00 S ATOM 1687 CE MET A 103 -2.065 1.520 2.864 1.00 0.00 C ATOM 0 H MET A 103 0.601 4.600 2.242 1.00 0.00 H new ATOM 0 HA MET A 103 -1.058 6.436 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.022 4.578 2.854 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.901 5.177 1.461 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.504 3.091 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.978 3.797 0.163 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.676 0.824 3.607 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.698 2.259 3.355 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.652 0.973 2.126 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.328 6.794 3.831 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.424 7.715 4.961 1.00 0.00 C ATOM 1699 C PHE A 104 0.952 8.087 5.504 1.00 0.00 C ATOM 1700 O PHE A 104 1.894 7.300 5.433 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.268 7.095 6.074 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.737 7.066 5.766 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.277 6.047 4.997 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.576 8.056 6.246 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.629 6.018 4.712 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.929 8.034 5.966 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.457 7.013 5.198 1.00 0.00 C ATOM 0 H PHE A 104 0.341 6.035 3.957 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.902 8.627 4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.923 6.077 6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.109 7.656 6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.634 5.267 4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.168 8.856 6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.038 5.220 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.573 8.813 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.514 6.993 4.978 1.00 0.00 H new ATOM 1717 N GLU A 105 1.050 9.294 6.055 1.00 0.00 N ATOM 1718 CA GLU A 105 2.302 9.787 6.623 1.00 0.00 C ATOM 1719 C GLU A 105 2.026 10.777 7.752 1.00 0.00 C ATOM 1720 O GLU A 105 1.269 11.730 7.577 1.00 0.00 O ATOM 1721 CB GLU A 105 3.148 10.464 5.543 1.00 0.00 C ATOM 1722 CG GLU A 105 3.364 9.612 4.304 1.00 0.00 C ATOM 1723 CD GLU A 105 2.232 9.739 3.303 1.00 0.00 C ATOM 1724 OE1 GLU A 105 1.936 10.878 2.884 1.00 0.00 O ATOM 1725 OE2 GLU A 105 1.642 8.701 2.937 1.00 0.00 O ATOM 0 H GLU A 105 0.273 9.952 6.120 1.00 0.00 H new ATOM 0 HA GLU A 105 2.850 8.935 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.667 11.397 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.118 10.725 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.300 9.902 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.467 8.568 4.599 1.00 0.00 H new ATOM 1732 N VAL A 106 2.645 10.552 8.908 1.00 0.00 N ATOM 1733 CA VAL A 106 2.456 11.439 10.051 1.00 0.00 C ATOM 1734 C VAL A 106 3.744 12.178 10.396 1.00 0.00 C ATOM 1735 O VAL A 106 4.825 11.816 9.931 1.00 0.00 O ATOM 1736 CB VAL A 106 1.971 10.676 11.299 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.623 10.021 11.037 1.00 0.00 C ATOM 1738 CG2 VAL A 106 3.002 9.646 11.741 1.00 0.00 C ATOM 0 H VAL A 106 3.277 9.769 9.077 1.00 0.00 H new ATOM 0 HA VAL A 106 1.690 12.157 9.758 1.00 0.00 H new ATOM 0 HB VAL A 106 1.847 11.393 12.110 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.298 9.487 11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.111 10.787 10.785 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.715 9.319 10.208 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.636 9.121 12.623 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.169 8.930 10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.939 10.149 11.980 1.00 0.00 H new ATOM 1748 N ALA A 107 3.620 13.216 11.218 1.00 0.00 N ATOM 1749 CA ALA A 107 4.773 14.006 11.630 1.00 0.00 C ATOM 1750 C ALA A 107 4.446 14.855 12.854 1.00 0.00 C ATOM 1751 O ALA A 107 3.355 15.415 12.960 1.00 0.00 O ATOM 1752 CB ALA A 107 5.245 14.889 10.486 1.00 0.00 C ATOM 0 H ALA A 107 2.732 13.529 11.611 1.00 0.00 H new ATOM 0 HA ALA A 107 5.575 13.319 11.899 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.107 15.473 10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.527 14.266 9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.440 15.562 10.190 1.00 0.00 H new ATOM 1758 N GLY A 108 5.398 14.945 13.776 1.00 0.00 N ATOM 1759 CA GLY A 108 5.191 15.729 14.979 1.00 0.00 C ATOM 1760 C GLY A 108 4.823 14.872 16.176 1.00 0.00 C ATOM 1761 O GLY A 108 5.214 15.170 17.304 1.00 0.00 O ATOM 0 H GLY A 108 6.308 14.490 13.712 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.098 16.290 15.203 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.401 16.458 14.802 1.00 0.00 H new ATOM 1765 N VAL A 109 4.067 13.807 15.930 1.00 0.00 N ATOM 1766 CA VAL A 109 3.646 12.907 16.998 1.00 0.00 C ATOM 1767 C VAL A 109 4.770 11.953 17.390 1.00 0.00 C ATOM 1768 O VAL A 109 5.768 11.829 16.680 1.00 0.00 O ATOM 1769 CB VAL A 109 2.406 12.087 16.591 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.225 13.005 16.316 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.710 11.216 15.379 1.00 0.00 C ATOM 0 H VAL A 109 3.734 13.546 15.002 1.00 0.00 H new ATOM 0 HA VAL A 109 3.390 13.532 17.853 1.00 0.00 H new ATOM 0 HB VAL A 109 2.141 11.431 17.420 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.359 12.408 16.030 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.991 13.576 17.214 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.477 13.690 15.506 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.821 10.646 15.109 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.004 11.848 14.541 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.522 10.530 15.619 1.00 0.00 H new ATOM 1781 N THR A 110 4.600 11.281 18.523 1.00 0.00 N ATOM 1782 CA THR A 110 5.599 10.337 19.009 1.00 0.00 C ATOM 1783 C THR A 110 5.558 9.038 18.212 1.00 0.00 C ATOM 1784 O THR A 110 4.678 8.840 17.375 1.00 0.00 O ATOM 1785 CB THR A 110 5.372 10.044 20.493 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.253 9.194 20.671 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.139 11.290 21.320 1.00 0.00 C ATOM 0 H THR A 110 3.780 11.373 19.122 1.00 0.00 H new ATOM 0 HA THR A 110 6.582 10.789 18.879 1.00 0.00 H new ATOM 0 HB THR A 110 6.289 9.566 20.837 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.125 9.017 21.626 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.985 11.011 22.362 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.007 11.945 21.244 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.257 11.813 20.950 1.00 0.00 H new ATOM 1795 N GLU A 111 6.517 8.156 18.478 1.00 0.00 N ATOM 1796 CA GLU A 111 6.591 6.875 17.785 1.00 0.00 C ATOM 1797 C GLU A 111 5.434 5.968 18.191 1.00 0.00 C ATOM 1798 O GLU A 111 4.864 5.262 17.358 1.00 0.00 O ATOM 1799 CB GLU A 111 7.924 6.186 18.086 1.00 0.00 C ATOM 1800 CG GLU A 111 8.089 4.849 17.385 1.00 0.00 C ATOM 1801 CD GLU A 111 9.472 4.257 17.578 1.00 0.00 C ATOM 1802 OE1 GLU A 111 9.838 3.968 18.738 1.00 0.00 O ATOM 1803 OE2 GLU A 111 10.189 4.081 16.571 1.00 0.00 O ATOM 0 H GLU A 111 7.253 8.305 19.168 1.00 0.00 H new ATOM 0 HA GLU A 111 6.521 7.065 16.714 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.740 6.846 17.789 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.011 6.036 19.162 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.343 4.150 17.763 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.897 4.975 16.319 1.00 0.00 H new ATOM 1810 N GLU A 112 5.093 5.991 19.474 1.00 0.00 N ATOM 1811 CA GLU A 112 4.004 5.170 19.991 1.00 0.00 C ATOM 1812 C GLU A 112 2.671 5.581 19.374 1.00 0.00 C ATOM 1813 O GLU A 112 1.880 4.734 18.960 1.00 0.00 O ATOM 1814 CB GLU A 112 3.933 5.281 21.516 1.00 0.00 C ATOM 1815 CG GLU A 112 4.520 4.082 22.242 1.00 0.00 C ATOM 1816 CD GLU A 112 3.820 2.785 21.886 1.00 0.00 C ATOM 1817 OE1 GLU A 112 2.592 2.695 22.098 1.00 0.00 O ATOM 1818 OE2 GLU A 112 4.500 1.859 21.394 1.00 0.00 O ATOM 0 H GLU A 112 5.555 6.569 20.176 1.00 0.00 H new ATOM 0 HA GLU A 112 4.203 4.133 19.719 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.462 6.181 21.831 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.892 5.402 21.815 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.579 3.998 21.999 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.452 4.244 23.318 1.00 0.00 H new ATOM 1825 N GLN A 113 2.429 6.886 19.315 1.00 0.00 N ATOM 1826 CA GLN A 113 1.192 7.409 18.749 1.00 0.00 C ATOM 1827 C GLN A 113 1.209 7.318 17.228 1.00 0.00 C ATOM 1828 O GLN A 113 0.188 7.036 16.601 1.00 0.00 O ATOM 1829 CB GLN A 113 0.981 8.861 19.183 1.00 0.00 C ATOM 1830 CG GLN A 113 1.167 9.084 20.675 1.00 0.00 C ATOM 1831 CD GLN A 113 1.186 10.553 21.047 1.00 0.00 C ATOM 1832 OE1 GLN A 113 1.506 11.410 20.223 1.00 0.00 O ATOM 1833 NE2 GLN A 113 0.841 10.853 22.294 1.00 0.00 N ATOM 0 H GLN A 113 3.074 7.601 19.652 1.00 0.00 H new ATOM 0 HA GLN A 113 0.367 6.803 19.122 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.678 9.499 18.639 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -0.024 9.173 18.900 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.362 8.586 21.216 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.100 8.620 20.994 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.583 10.111 22.944 1.00 0.00 H new ATOM 0 HE22 GLN A 113 0.834 11.826 22.601 1.00 0.00 H new ATOM 1842 N ALA A 114 2.376 7.563 16.642 1.00 0.00 N ATOM 1843 CA ALA A 114 2.529 7.515 15.194 1.00 0.00 C ATOM 1844 C ALA A 114 2.430 6.087 14.671 1.00 0.00 C ATOM 1845 O ALA A 114 1.705 5.816 13.712 1.00 0.00 O ATOM 1846 CB ALA A 114 3.859 8.128 14.794 1.00 0.00 C ATOM 0 H ALA A 114 3.230 7.797 17.149 1.00 0.00 H new ATOM 0 HA ALA A 114 1.717 8.090 14.749 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.966 8.089 13.710 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.895 9.166 15.125 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.671 7.570 15.260 1.00 0.00 H new ATOM 1852 N MET A 115 3.161 5.175 15.303 1.00 0.00 N ATOM 1853 CA MET A 115 3.152 3.775 14.897 1.00 0.00 C ATOM 1854 C MET A 115 1.760 3.178 15.059 1.00 0.00 C ATOM 1855 O MET A 115 1.269 2.475 14.176 1.00 0.00 O ATOM 1856 CB MET A 115 4.164 2.977 15.719 1.00 0.00 C ATOM 1857 CG MET A 115 5.611 3.337 15.416 1.00 0.00 C ATOM 1858 SD MET A 115 6.498 2.015 14.569 1.00 0.00 S ATOM 1859 CE MET A 115 7.583 2.961 13.504 1.00 0.00 C ATOM 0 H MET A 115 3.767 5.380 16.098 1.00 0.00 H new ATOM 0 HA MET A 115 3.432 3.722 13.845 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.971 3.143 16.779 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.015 1.914 15.531 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.636 4.237 14.801 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.124 3.574 16.348 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.094 2.288 12.815 1.00 0.00 H new ATOM 0 HE2 MET A 115 6.997 3.684 12.937 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.320 3.488 14.111 1.00 0.00 H new ATOM 1869 N GLU A 116 1.127 3.468 16.190 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.212 2.966 16.463 1.00 0.00 C ATOM 1871 C GLU A 116 -1.225 3.591 15.512 1.00 0.00 C ATOM 1872 O GLU A 116 -2.037 2.891 14.906 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.606 3.260 17.912 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.606 2.270 18.484 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.461 2.094 19.983 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -1.471 3.115 20.703 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -1.336 0.938 20.437 1.00 0.00 O ATOM 0 H GLU A 116 1.520 4.048 16.931 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.209 1.887 16.309 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.291 3.256 18.531 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.028 4.263 17.968 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.617 2.609 18.258 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.477 1.305 17.994 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.170 4.914 15.383 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.082 5.633 14.502 1.00 0.00 C ATOM 1886 C ALA A 117 -1.993 5.107 13.073 1.00 0.00 C ATOM 1887 O ALA A 117 -3.008 4.809 12.446 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.783 7.125 14.537 1.00 0.00 C ATOM 0 H ALA A 117 -0.504 5.508 15.877 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.099 5.469 14.859 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.471 7.650 13.875 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.904 7.497 15.554 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.759 7.299 14.207 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.770 4.983 12.568 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.555 4.478 11.217 1.00 0.00 C ATOM 1896 C LEU A 118 -1.108 3.064 11.088 1.00 0.00 C ATOM 1897 O LEU A 118 -1.558 2.654 10.017 1.00 0.00 O ATOM 1898 CB LEU A 118 0.939 4.493 10.872 1.00 0.00 C ATOM 1899 CG LEU A 118 1.454 5.745 10.148 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.570 6.954 10.422 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.890 6.039 10.559 1.00 0.00 C ATOM 0 H LEU A 118 0.084 5.224 13.071 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.081 5.127 10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.505 4.374 11.796 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.156 3.624 10.251 1.00 0.00 H new ATOM 0 HG LEU A 118 1.422 5.545 9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.965 7.821 9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.443 6.749 10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.554 7.158 11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.243 6.929 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.933 6.207 11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.524 5.191 10.298 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.074 2.324 12.192 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.576 0.957 12.215 1.00 0.00 C ATOM 1915 C ARG A 119 -3.101 0.941 12.204 1.00 0.00 C ATOM 1916 O ARG A 119 -3.718 0.104 11.545 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.052 0.224 13.450 1.00 0.00 C ATOM 1918 CG ARG A 119 0.349 -0.338 13.275 1.00 0.00 C ATOM 1919 CD ARG A 119 0.887 -0.911 14.577 1.00 0.00 C ATOM 1920 NE ARG A 119 0.044 -1.987 15.091 1.00 0.00 N ATOM 1921 CZ ARG A 119 0.150 -2.490 16.319 1.00 0.00 C ATOM 1922 NH1 ARG A 119 1.062 -2.019 17.160 1.00 0.00 N ATOM 1923 NH2 ARG A 119 -0.656 -3.468 16.707 1.00 0.00 N ATOM 0 H ARG A 119 -0.703 2.651 13.084 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.220 0.446 11.321 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.056 0.909 14.298 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.733 -0.591 13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.337 -1.116 12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.015 0.448 12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.898 -1.287 14.417 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.956 -0.118 15.321 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.668 -2.376 14.473 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.686 -1.268 16.867 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.139 -2.408 18.100 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.358 -3.836 16.065 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.574 -3.853 17.648 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.705 1.876 12.934 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.160 1.972 13.003 1.00 0.00 C ATOM 1939 C ILE A 120 -5.756 2.131 11.607 1.00 0.00 C ATOM 1940 O ILE A 120 -6.783 1.532 11.287 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.605 3.157 13.889 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.143 2.943 15.331 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.118 3.336 13.839 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.087 4.219 16.143 1.00 0.00 C ATOM 0 H ILE A 120 -3.210 2.577 13.485 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.525 1.047 13.449 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.142 4.065 13.502 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.818 2.240 15.820 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.155 2.483 15.323 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.406 4.176 14.471 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.428 3.531 12.812 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.604 2.429 14.198 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.752 3.992 17.155 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.390 4.916 15.678 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.079 4.669 16.182 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.100 2.936 10.778 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.559 3.168 9.416 1.00 0.00 C ATOM 1958 C ALA A 121 -5.527 1.876 8.608 1.00 0.00 C ATOM 1959 O ALA A 121 -6.488 1.539 7.918 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.709 4.235 8.744 1.00 0.00 C ATOM 0 H ALA A 121 -4.248 3.439 11.027 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.590 3.520 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.065 4.397 7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.782 5.166 9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.669 3.908 8.717 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.414 1.155 8.703 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.274 -0.095 7.980 1.00 0.00 C ATOM 1968 C GLY A 122 -5.111 -1.210 8.578 1.00 0.00 C ATOM 1969 O GLY A 122 -5.421 -2.191 7.902 1.00 0.00 O ATOM 0 H GLY A 122 -3.606 1.415 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.565 0.056 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.226 -0.394 7.977 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.476 -1.062 9.848 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.281 -2.066 10.533 1.00 0.00 C ATOM 1975 C HIS A 123 -7.611 -2.279 9.816 1.00 0.00 C ATOM 1976 O HIS A 123 -8.086 -3.407 9.690 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.529 -1.648 11.984 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.331 -2.759 12.968 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -6.875 -4.015 12.806 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -5.639 -2.798 14.132 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -6.529 -4.778 13.828 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -5.778 -4.064 14.645 1.00 0.00 N ATOM 0 H HIS A 123 -5.227 -0.257 10.423 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.730 -3.007 10.523 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.859 -0.826 12.236 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.547 -1.269 12.076 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.082 -1.985 14.574 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.813 -5.810 13.970 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -5.367 -4.398 15.517 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.205 -1.186 9.344 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.477 -1.255 8.636 1.00 0.00 C ATOM 1993 C LYS A 124 -9.271 -1.404 7.129 1.00 0.00 C ATOM 1994 O LYS A 124 -10.233 -1.411 6.362 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.315 -0.008 8.927 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.562 1.295 8.712 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.185 1.946 10.034 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.330 2.777 10.592 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.943 3.491 11.841 1.00 0.00 N ATOM 0 H LYS A 124 -7.825 -0.244 9.440 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.008 -2.137 8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.198 -0.017 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.666 -0.049 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.661 1.104 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.178 1.981 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -8.908 1.176 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.309 2.580 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.650 3.502 9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.183 2.130 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.756 4.032 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.646 2.799 12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.156 4.141 11.640 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.013 -1.526 6.708 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.696 -1.679 5.292 1.00 0.00 C ATOM 2015 C LEU A 125 -7.807 -3.141 4.869 1.00 0.00 C ATOM 2016 O LEU A 125 -7.657 -4.046 5.690 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.285 -1.161 5.001 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.157 0.360 4.897 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.722 0.754 4.583 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.102 0.904 3.838 1.00 0.00 C ATOM 0 H LEU A 125 -7.201 -1.522 7.325 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.415 -1.093 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.617 -1.513 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.939 -1.603 4.067 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.431 0.794 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.650 1.839 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.065 0.397 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.421 0.308 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -6.997 1.987 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.859 0.462 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.129 0.653 4.103 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.077 -3.393 3.577 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.213 -4.746 3.045 1.00 0.00 C ATOM 2034 C PRO A 126 -6.879 -5.347 2.607 1.00 0.00 C ATOM 2035 O PRO A 126 -6.843 -6.256 1.778 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.121 -4.531 1.840 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.756 -3.174 1.335 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.280 -2.376 2.528 1.00 0.00 C ATOM 0 HA PRO A 126 -8.598 -5.446 3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.959 -5.295 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.173 -4.580 2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -7.974 -3.241 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.614 -2.693 0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.357 -1.840 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.017 -1.632 2.830 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.784 -4.834 3.161 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.455 -5.325 2.818 1.00 0.00 C ATOM 2048 C ILE A 127 -3.466 -5.093 3.955 1.00 0.00 C ATOM 2049 O ILE A 127 -3.750 -4.352 4.896 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.922 -4.648 1.541 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.114 -3.131 1.620 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.623 -5.212 0.314 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.159 -2.449 2.574 1.00 0.00 C ATOM 0 H ILE A 127 -5.792 -4.080 3.848 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.551 -6.397 2.643 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.855 -4.855 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.987 -2.705 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.137 -2.918 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.237 -4.725 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.440 -6.285 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.695 -5.031 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.353 -1.376 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.302 -2.848 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.133 -2.631 2.254 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.305 -5.734 3.861 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.271 -5.601 4.882 1.00 0.00 C ATOM 2067 C LYS A 128 -0.569 -4.251 4.776 1.00 0.00 C ATOM 2068 O LYS A 128 -0.385 -3.719 3.681 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.250 -6.736 4.751 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.319 -7.748 5.881 1.00 0.00 C ATOM 2071 CD LYS A 128 0.240 -7.178 7.176 1.00 0.00 C ATOM 2072 CE LYS A 128 1.076 -8.205 7.923 1.00 0.00 C ATOM 2073 NZ LYS A 128 2.519 -7.834 7.947 1.00 0.00 N ATOM 0 H LYS A 128 -2.056 -6.351 3.088 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.749 -5.662 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.410 -7.250 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.753 -6.310 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.354 -8.054 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.240 -8.642 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.850 -6.302 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.580 -6.844 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.708 -8.299 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.960 -9.181 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.055 -8.559 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 2.877 -7.769 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.633 -6.915 8.420 1.00 0.00 H new ATOM 2087 N THR A 129 -0.177 -3.704 5.922 1.00 0.00 N ATOM 2088 CA THR A 129 0.509 -2.416 5.960 1.00 0.00 C ATOM 2089 C THR A 129 1.501 -2.362 7.117 1.00 0.00 C ATOM 2090 O THR A 129 1.269 -2.950 8.173 1.00 0.00 O ATOM 2091 CB THR A 129 -0.503 -1.278 6.093 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.121 -1.303 7.367 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.600 -1.320 5.051 1.00 0.00 C ATOM 0 H THR A 129 -0.322 -4.132 6.837 1.00 0.00 H new ATOM 0 HA THR A 129 1.058 -2.299 5.026 1.00 0.00 H new ATOM 0 HB THR A 129 0.074 -0.365 5.949 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.831 -1.979 7.373 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.281 -0.483 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.160 -1.250 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.150 -2.257 5.139 1.00 0.00 H new ATOM 2101 N LYS A 130 2.609 -1.651 6.915 1.00 0.00 N ATOM 2102 CA LYS A 130 3.630 -1.526 7.950 1.00 0.00 C ATOM 2103 C LYS A 130 4.051 -0.070 8.133 1.00 0.00 C ATOM 2104 O LYS A 130 3.865 0.757 7.239 1.00 0.00 O ATOM 2105 CB LYS A 130 4.848 -2.381 7.600 1.00 0.00 C ATOM 2106 CG LYS A 130 5.417 -2.095 6.221 1.00 0.00 C ATOM 2107 CD LYS A 130 6.766 -2.767 6.024 1.00 0.00 C ATOM 2108 CE LYS A 130 7.602 -2.043 4.981 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.866 -2.770 4.680 1.00 0.00 N ATOM 0 H LYS A 130 2.821 -1.156 6.049 1.00 0.00 H new ATOM 0 HA LYS A 130 3.203 -1.880 8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.625 -2.214 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.571 -3.434 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.720 -2.445 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.523 -1.019 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.304 -2.790 6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.617 -3.802 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.022 -1.930 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.836 -1.039 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.407 -2.244 3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.432 -2.856 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.643 -3.719 4.317 1.00 0.00 H new ATOM 2123 N ILE A 131 4.626 0.236 9.294 1.00 0.00 N ATOM 2124 CA ILE A 131 5.079 1.592 9.589 1.00 0.00 C ATOM 2125 C ILE A 131 6.556 1.753 9.253 1.00 0.00 C ATOM 2126 O ILE A 131 7.375 0.903 9.600 1.00 0.00 O ATOM 2127 CB ILE A 131 4.887 1.967 11.077 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.676 1.247 11.681 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.759 3.478 11.231 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.347 1.726 11.144 1.00 0.00 C ATOM 0 H ILE A 131 4.789 -0.436 10.044 1.00 0.00 H new ATOM 0 HA ILE A 131 4.469 2.254 8.974 1.00 0.00 H new ATOM 0 HB ILE A 131 5.769 1.639 11.627 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.769 0.178 11.491 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.689 1.380 12.763 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.624 3.726 12.284 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.663 3.960 10.857 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.898 3.830 10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.540 1.169 11.620 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.230 2.788 11.358 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.311 1.567 10.066 1.00 0.00 H new ATOM 2142 N VAL A 132 6.897 2.852 8.592 1.00 0.00 N ATOM 2143 CA VAL A 132 8.282 3.116 8.232 1.00 0.00 C ATOM 2144 C VAL A 132 8.601 4.604 8.323 1.00 0.00 C ATOM 2145 O VAL A 132 7.750 5.453 8.060 1.00 0.00 O ATOM 2146 CB VAL A 132 8.613 2.606 6.816 1.00 0.00 C ATOM 2147 CG1 VAL A 132 8.191 1.154 6.658 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.956 3.479 5.758 1.00 0.00 C ATOM 0 H VAL A 132 6.237 3.571 8.296 1.00 0.00 H new ATOM 0 HA VAL A 132 8.900 2.573 8.948 1.00 0.00 H new ATOM 0 HB VAL A 132 9.692 2.665 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 132 8.433 0.812 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.720 0.540 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 132 7.117 1.067 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 132 8.204 3.099 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.874 3.462 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.318 4.503 5.855 1.00 0.00 H new ATOM 2158 N ARG A 133 9.834 4.905 8.698 1.00 0.00 N ATOM 2159 CA ARG A 133 10.288 6.282 8.829 1.00 0.00 C ATOM 2160 C ARG A 133 10.651 6.870 7.477 1.00 0.00 C ATOM 2161 O ARG A 133 10.821 6.142 6.502 1.00 0.00 O ATOM 2162 CB ARG A 133 11.508 6.356 9.734 1.00 0.00 C ATOM 2163 CG ARG A 133 11.302 7.204 10.978 1.00 0.00 C ATOM 2164 CD ARG A 133 11.942 6.566 12.201 1.00 0.00 C ATOM 2165 NE ARG A 133 12.457 7.566 13.134 1.00 0.00 N ATOM 2166 CZ ARG A 133 13.613 8.206 12.972 1.00 0.00 C ATOM 2167 NH1 ARG A 133 14.376 7.954 11.916 1.00 0.00 N ATOM 2168 NH2 ARG A 133 14.005 9.100 13.868 1.00 0.00 N ATOM 0 H ARG A 133 10.545 4.208 8.919 1.00 0.00 H new ATOM 0 HA ARG A 133 9.468 6.855 9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.785 5.346 10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.346 6.760 9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.728 8.195 10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.235 7.340 11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.208 5.940 12.709 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.755 5.912 11.885 1.00 0.00 H new ATOM 0 HE ARG A 133 11.898 7.787 13.958 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.078 7.267 11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.261 8.447 11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.421 9.297 14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.891 9.591 13.745 1.00 0.00 H new