USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 767 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 65 GLN : amide:sc= 1.04 K(o=2.2,f=-2.8) USER MOD Set 1.2: A 83 SER OG : rot 105:sc= 1.18 USER MOD Single : A 39 SER OG : rot 180:sc= 0.011 USER MOD Single : A 42 SER OG : rot 22:sc= 0.613 USER MOD Single : A 46 ASN : amide:sc= -0.644 K(o=-0.64,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 1.19 (180deg=0.0358) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.745 K(o=-0.74,f=-6.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 73 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.885 K(o=-0.89,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -171:sc= 0.948 USER MOD Single : A 95 GLN : amide:sc= -5.02! C(o=-5!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -17:sc= 0.567 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 100:sc= -2.54! USER MOD Single : A 114 ASN : amide:sc= -0.792 X(o=-0.79,f=-0.35) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 1.383 4.428 8.931 1.00 0.00 N ATOM 508 CA TRP A 37 1.049 4.969 7.617 1.00 0.00 C ATOM 509 C TRP A 37 -0.381 4.619 7.198 1.00 0.00 C ATOM 510 O TRP A 37 -1.081 5.454 6.631 1.00 0.00 O ATOM 511 CB TRP A 37 2.058 4.479 6.562 1.00 0.00 C ATOM 512 CG TRP A 37 2.130 2.985 6.394 1.00 0.00 C ATOM 513 CD1 TRP A 37 2.374 2.054 7.365 1.00 0.00 C ATOM 514 CD2 TRP A 37 1.993 2.253 5.167 1.00 0.00 C ATOM 515 NE1 TRP A 37 2.372 0.793 6.823 1.00 0.00 N ATOM 516 CE2 TRP A 37 2.146 0.888 5.474 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.747 2.620 3.840 1.00 0.00 C ATOM 518 CZ2 TRP A 37 2.065 -0.109 4.503 1.00 0.00 C ATOM 519 CZ3 TRP A 37 1.668 1.632 2.878 1.00 0.00 C ATOM 520 CH2 TRP A 37 1.825 0.281 3.214 1.00 0.00 C ATOM 0 HA TRP A 37 1.108 6.055 7.686 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.801 4.925 5.601 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.048 4.847 6.830 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.544 2.278 8.408 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.515 -0.074 7.340 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.621 3.659 3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.187 -1.151 4.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.482 1.905 1.850 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.755 -0.468 2.439 1.00 0.00 H new ATOM 531 N ARG A 38 -0.820 3.402 7.514 1.00 0.00 N ATOM 532 CA ARG A 38 -2.152 2.941 7.119 1.00 0.00 C ATOM 533 C ARG A 38 -3.233 3.730 7.833 1.00 0.00 C ATOM 534 O ARG A 38 -4.263 4.063 7.247 1.00 0.00 O ATOM 535 CB ARG A 38 -2.350 1.457 7.425 1.00 0.00 C ATOM 536 CG ARG A 38 -1.981 1.070 8.851 1.00 0.00 C ATOM 537 CD ARG A 38 -2.695 -0.195 9.294 1.00 0.00 C ATOM 538 NE ARG A 38 -2.177 -0.692 10.567 1.00 0.00 N ATOM 539 CZ ARG A 38 -2.399 -1.920 11.036 1.00 0.00 C ATOM 540 NH1 ARG A 38 -3.195 -2.758 10.379 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -1.836 -2.305 12.175 1.00 0.00 N ATOM 0 H ARG A 38 -0.276 2.719 8.041 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.229 3.097 6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.392 1.194 7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.749 0.869 6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.903 0.923 8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.235 1.887 9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.762 0.004 9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.581 -0.964 8.530 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.610 -0.060 11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.640 -2.463 9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.360 -3.696 10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.235 -1.662 12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.005 -3.244 12.535 1.00 0.00 H new ATOM 555 N SER A 39 -2.993 4.026 9.097 1.00 0.00 N ATOM 556 CA SER A 39 -3.952 4.745 9.901 1.00 0.00 C ATOM 557 C SER A 39 -4.097 6.167 9.369 1.00 0.00 C ATOM 558 O SER A 39 -5.187 6.743 9.373 1.00 0.00 O ATOM 559 CB SER A 39 -3.495 4.734 11.358 1.00 0.00 C ATOM 560 OG SER A 39 -2.965 3.459 11.702 1.00 0.00 O ATOM 0 H SER A 39 -2.135 3.776 9.588 1.00 0.00 H new ATOM 0 HA SER A 39 -4.929 4.265 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.739 5.503 11.514 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.334 4.974 12.011 1.00 0.00 H new ATOM 0 HG SER A 39 -2.675 3.467 12.638 1.00 0.00 H new ATOM 566 N ARG A 40 -2.996 6.705 8.863 1.00 0.00 N ATOM 567 CA ARG A 40 -2.986 8.013 8.265 1.00 0.00 C ATOM 568 C ARG A 40 -3.618 7.969 6.871 1.00 0.00 C ATOM 569 O ARG A 40 -4.293 8.910 6.455 1.00 0.00 O ATOM 570 CB ARG A 40 -1.549 8.498 8.190 1.00 0.00 C ATOM 571 CG ARG A 40 -0.843 8.544 9.540 1.00 0.00 C ATOM 572 CD ARG A 40 -1.483 9.554 10.483 1.00 0.00 C ATOM 573 NE ARG A 40 -1.364 10.926 9.981 1.00 0.00 N ATOM 574 CZ ARG A 40 -2.063 11.958 10.451 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.896 11.789 11.472 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 -1.904 13.166 9.916 1.00 0.00 N ATOM 0 H ARG A 40 -2.089 6.239 8.860 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.573 8.703 8.871 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.990 7.845 7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.534 9.495 7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.869 7.555 9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.206 8.800 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.536 9.307 10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.011 9.484 11.463 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.704 11.102 9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.001 10.868 11.897 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.430 12.580 11.831 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.248 13.301 9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.439 13.957 10.275 1.00 0.00 H new ATOM 590 N ILE A 41 -3.381 6.870 6.153 1.00 0.00 N ATOM 591 CA ILE A 41 -4.020 6.633 4.861 1.00 0.00 C ATOM 592 C ILE A 41 -5.538 6.645 5.024 1.00 0.00 C ATOM 593 O ILE A 41 -6.248 7.272 4.245 1.00 0.00 O ATOM 594 CB ILE A 41 -3.599 5.268 4.258 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.144 5.317 3.789 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.524 4.864 3.110 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.633 3.998 3.254 1.00 0.00 C ATOM 0 H ILE A 41 -2.747 6.127 6.448 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.701 7.428 4.187 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.686 4.512 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.047 6.076 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.514 5.630 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.205 3.903 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.546 4.781 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.481 5.619 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.595 4.110 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.697 3.240 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.238 3.692 2.401 1.00 0.00 H new ATOM 609 N SER A 42 -6.022 5.945 6.050 1.00 0.00 N ATOM 610 CA SER A 42 -7.454 5.880 6.334 1.00 0.00 C ATOM 611 C SER A 42 -8.039 7.287 6.506 1.00 0.00 C ATOM 612 O SER A 42 -9.119 7.588 5.991 1.00 0.00 O ATOM 613 CB SER A 42 -7.710 5.035 7.588 1.00 0.00 C ATOM 614 OG SER A 42 -9.099 4.828 7.798 1.00 0.00 O ATOM 0 H SER A 42 -5.441 5.414 6.699 1.00 0.00 H new ATOM 0 HA SER A 42 -7.951 5.407 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.208 4.073 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.279 5.531 8.457 1.00 0.00 H new ATOM 0 HG SER A 42 -9.580 4.952 6.953 1.00 0.00 H new ATOM 620 N GLY A 43 -7.314 8.147 7.217 1.00 0.00 N ATOM 621 CA GLY A 43 -7.748 9.525 7.382 1.00 0.00 C ATOM 622 C GLY A 43 -7.756 10.274 6.063 1.00 0.00 C ATOM 623 O GLY A 43 -8.648 11.082 5.795 1.00 0.00 O ATOM 0 H GLY A 43 -6.436 7.915 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.748 9.542 7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.087 10.033 8.085 1.00 0.00 H new ATOM 627 N ARG A 44 -6.769 9.980 5.227 1.00 0.00 N ATOM 628 CA ARG A 44 -6.658 10.587 3.911 1.00 0.00 C ATOM 629 C ARG A 44 -7.793 10.114 3.012 1.00 0.00 C ATOM 630 O ARG A 44 -8.293 10.860 2.174 1.00 0.00 O ATOM 631 CB ARG A 44 -5.327 10.194 3.293 1.00 0.00 C ATOM 632 CG ARG A 44 -4.816 11.149 2.238 1.00 0.00 C ATOM 633 CD ARG A 44 -3.308 11.243 2.317 1.00 0.00 C ATOM 634 NE ARG A 44 -2.885 12.331 3.203 1.00 0.00 N ATOM 635 CZ ARG A 44 -1.873 13.169 2.947 1.00 0.00 C ATOM 636 NH1 ARG A 44 -1.118 13.011 1.865 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -1.612 14.165 3.785 1.00 0.00 N ATOM 0 H ARG A 44 -6.026 9.316 5.443 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.718 11.671 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.582 10.116 4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.426 9.203 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.117 10.806 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.259 12.135 2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.902 10.298 2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.899 11.405 1.319 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.397 12.459 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.307 12.245 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.350 13.656 1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.182 14.290 4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.841 14.805 3.592 1.00 0.00 H new ATOM 651 N LEU A 45 -8.184 8.861 3.198 1.00 0.00 N ATOM 652 CA LEU A 45 -9.259 8.254 2.428 1.00 0.00 C ATOM 653 C LEU A 45 -10.575 8.950 2.753 1.00 0.00 C ATOM 654 O LEU A 45 -11.459 9.064 1.917 1.00 0.00 O ATOM 655 CB LEU A 45 -9.341 6.761 2.769 1.00 0.00 C ATOM 656 CG LEU A 45 -9.672 5.827 1.603 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.302 4.395 1.958 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.146 5.907 1.234 1.00 0.00 C ATOM 0 H LEU A 45 -7.764 8.237 3.887 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.062 8.364 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.387 6.453 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.096 6.626 3.543 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.088 6.146 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.542 3.739 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.234 4.337 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.864 4.081 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.350 5.232 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.752 5.618 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.393 6.928 0.942 1.00 0.00 H new ATOM 670 N ASN A 46 -10.657 9.447 3.975 1.00 0.00 N ATOM 671 CA ASN A 46 -11.844 10.138 4.473 1.00 0.00 C ATOM 672 C ASN A 46 -11.968 11.490 3.794 1.00 0.00 C ATOM 673 O ASN A 46 -13.066 11.950 3.484 1.00 0.00 O ATOM 674 CB ASN A 46 -11.757 10.309 5.997 1.00 0.00 C ATOM 675 CG ASN A 46 -12.967 11.006 6.612 1.00 0.00 C ATOM 676 OD1 ASN A 46 -12.831 11.758 7.576 1.00 0.00 O ATOM 677 ND2 ASN A 46 -14.157 10.745 6.089 1.00 0.00 N ATOM 0 H ASN A 46 -9.901 9.385 4.657 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.729 9.544 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.643 9.327 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.860 10.880 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.994 11.172 6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.236 10.117 5.289 1.00 0.00 H new ATOM 684 N ARG A 47 -10.819 12.113 3.566 1.00 0.00 N ATOM 685 CA ARG A 47 -10.733 13.354 2.836 1.00 0.00 C ATOM 686 C ARG A 47 -11.334 13.204 1.440 1.00 0.00 C ATOM 687 O ARG A 47 -11.885 14.155 0.884 1.00 0.00 O ATOM 688 CB ARG A 47 -9.262 13.773 2.767 1.00 0.00 C ATOM 689 CG ARG A 47 -8.670 13.852 1.363 1.00 0.00 C ATOM 690 CD ARG A 47 -7.191 14.199 1.429 1.00 0.00 C ATOM 691 NE ARG A 47 -6.564 14.274 0.111 1.00 0.00 N ATOM 692 CZ ARG A 47 -5.251 14.428 -0.076 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.431 14.519 0.964 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.754 14.488 -1.302 1.00 0.00 N ATOM 0 H ARG A 47 -9.917 11.761 3.889 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.306 14.127 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.157 14.748 3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.673 13.067 3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.804 12.899 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.201 14.604 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.070 15.155 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.674 13.450 2.029 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.163 14.205 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.803 14.471 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.429 14.637 0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.375 14.417 -2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.750 14.606 -1.440 1.00 0.00 H new ATOM 708 N PHE A 48 -11.244 12.002 0.884 1.00 0.00 N ATOM 709 CA PHE A 48 -11.785 11.756 -0.435 1.00 0.00 C ATOM 710 C PHE A 48 -13.195 11.186 -0.354 1.00 0.00 C ATOM 711 O PHE A 48 -14.138 11.752 -0.908 1.00 0.00 O ATOM 712 CB PHE A 48 -10.897 10.804 -1.230 1.00 0.00 C ATOM 713 CG PHE A 48 -9.571 11.376 -1.647 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.503 12.387 -2.592 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.393 10.885 -1.108 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.285 12.903 -2.987 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.171 11.396 -1.502 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.118 12.405 -2.443 1.00 0.00 C ATOM 0 H PHE A 48 -10.805 11.194 1.325 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.820 12.716 -0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.719 9.911 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.436 10.487 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.413 12.776 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.430 10.095 -0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.245 13.695 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.259 11.007 -1.075 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.164 12.805 -2.753 1.00 0.00 H new ATOM 728 N LYS A 49 -13.327 10.072 0.349 1.00 0.00 N ATOM 729 CA LYS A 49 -14.602 9.396 0.516 1.00 0.00 C ATOM 730 C LYS A 49 -14.431 8.224 1.464 1.00 0.00 C ATOM 731 O LYS A 49 -13.913 7.184 1.073 1.00 0.00 O ATOM 732 CB LYS A 49 -15.094 8.861 -0.827 1.00 0.00 C ATOM 733 CG LYS A 49 -16.569 8.498 -0.855 1.00 0.00 C ATOM 734 CD LYS A 49 -16.939 7.814 -2.161 1.00 0.00 C ATOM 735 CE LYS A 49 -18.436 7.574 -2.262 1.00 0.00 C ATOM 736 NZ LYS A 49 -18.780 6.735 -3.437 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.549 9.610 0.821 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.325 10.107 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.902 9.610 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.510 7.979 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.801 7.840 -0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.171 9.398 -0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.611 8.428 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.412 6.863 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.789 7.088 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.954 8.530 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.810 6.593 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.466 7.210 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.306 5.813 -3.356 1.00 0.00 H new ATOM 750 N ARG A 50 -14.855 8.371 2.701 1.00 0.00 N ATOM 751 CA ARG A 50 -14.795 7.257 3.623 1.00 0.00 C ATOM 752 C ARG A 50 -16.129 7.085 4.317 1.00 0.00 C ATOM 753 O ARG A 50 -16.488 7.850 5.213 1.00 0.00 O ATOM 754 CB ARG A 50 -13.686 7.436 4.659 1.00 0.00 C ATOM 755 CG ARG A 50 -13.256 6.127 5.300 1.00 0.00 C ATOM 756 CD ARG A 50 -12.252 6.341 6.417 1.00 0.00 C ATOM 757 NE ARG A 50 -12.868 6.932 7.604 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.316 6.924 8.816 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.116 6.384 9.001 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.970 7.455 9.841 1.00 0.00 N ATOM 0 H ARG A 50 -15.238 9.234 3.087 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.567 6.362 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.823 7.902 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.029 8.119 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.132 5.612 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.820 5.478 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.797 5.387 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.450 6.990 6.064 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.779 7.379 7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.614 5.974 8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.696 6.380 9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.892 7.867 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.551 7.451 10.771 1.00 0.00 H new ATOM 774 N TYR A 51 -16.862 6.082 3.883 1.00 0.00 N ATOM 775 CA TYR A 51 -18.144 5.760 4.472 1.00 0.00 C ATOM 776 C TYR A 51 -17.917 4.870 5.687 1.00 0.00 C ATOM 777 O TYR A 51 -17.119 3.935 5.621 1.00 0.00 O ATOM 778 CB TYR A 51 -19.007 5.049 3.427 1.00 0.00 C ATOM 779 CG TYR A 51 -20.456 5.470 3.432 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.816 6.774 3.111 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.460 4.570 3.753 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.141 7.165 3.105 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.786 4.954 3.749 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.121 6.251 3.430 1.00 0.00 C ATOM 785 OH TYR A 51 -24.442 6.635 3.431 1.00 0.00 O ATOM 0 H TYR A 51 -16.588 5.469 3.115 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.660 6.665 4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.589 5.237 2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.952 3.974 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.048 7.492 2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.201 3.553 4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.407 8.179 2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -23.558 4.240 3.995 1.00 0.00 H new ATOM 0 HH TYR A 51 -25.004 5.872 3.681 1.00 0.00 H new ATOM 795 N PRO A 52 -18.576 5.169 6.818 1.00 0.00 N ATOM 796 CA PRO A 52 -18.423 4.397 8.058 1.00 0.00 C ATOM 797 C PRO A 52 -18.738 2.924 7.847 1.00 0.00 C ATOM 798 O PRO A 52 -19.768 2.580 7.266 1.00 0.00 O ATOM 799 CB PRO A 52 -19.441 5.035 9.009 1.00 0.00 C ATOM 800 CG PRO A 52 -19.655 6.407 8.472 1.00 0.00 C ATOM 801 CD PRO A 52 -19.523 6.288 6.982 1.00 0.00 C ATOM 0 HA PRO A 52 -17.402 4.425 8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.372 4.469 9.030 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.063 5.065 10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.639 6.786 8.748 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.920 7.104 8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.482 6.077 6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.142 7.207 6.536 1.00 0.00 H new ATOM 809 N LYS A 53 -17.854 2.058 8.340 1.00 0.00 N ATOM 810 CA LYS A 53 -17.932 0.623 8.070 1.00 0.00 C ATOM 811 C LYS A 53 -19.225 0.014 8.586 1.00 0.00 C ATOM 812 O LYS A 53 -19.654 -1.032 8.102 1.00 0.00 O ATOM 813 CB LYS A 53 -16.731 -0.114 8.670 1.00 0.00 C ATOM 814 CG LYS A 53 -15.771 -0.697 7.631 1.00 0.00 C ATOM 815 CD LYS A 53 -14.889 0.366 6.978 1.00 0.00 C ATOM 816 CE LYS A 53 -15.658 1.262 6.014 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.851 2.435 5.597 1.00 0.00 N1+ ATOM 0 H LYS A 53 -17.069 2.328 8.933 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.916 0.505 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.180 0.574 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.095 -0.921 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.138 -1.445 8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.345 -1.210 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.435 0.981 7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.076 -0.123 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.947 0.687 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.578 1.603 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.481 3.242 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.183 2.684 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.322 2.203 4.732 1.00 0.00 H new ATOM 831 N ASP A 54 -19.839 0.659 9.568 1.00 0.00 N ATOM 832 CA ASP A 54 -21.136 0.220 10.067 1.00 0.00 C ATOM 833 C ASP A 54 -22.187 0.262 8.964 1.00 0.00 C ATOM 834 O ASP A 54 -23.097 -0.563 8.924 1.00 0.00 O ATOM 835 CB ASP A 54 -21.582 1.074 11.254 1.00 0.00 C ATOM 836 CG ASP A 54 -20.958 0.611 12.551 1.00 0.00 C ATOM 837 OD1 ASP A 54 -21.465 -0.370 13.135 1.00 0.00 O ATOM 838 OD2 ASP A 54 -19.953 1.211 12.985 1.00 0.00 O1- ATOM 0 H ASP A 54 -19.463 1.485 10.034 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.030 -0.811 10.404 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.313 2.115 11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.668 1.036 11.340 1.00 0.00 H new ATOM 843 N ALA A 55 -22.057 1.228 8.070 1.00 0.00 N ATOM 844 CA ALA A 55 -22.948 1.334 6.930 1.00 0.00 C ATOM 845 C ALA A 55 -22.610 0.288 5.877 1.00 0.00 C ATOM 846 O ALA A 55 -23.489 -0.215 5.185 1.00 0.00 O ATOM 847 CB ALA A 55 -22.889 2.729 6.341 1.00 0.00 C ATOM 0 H ALA A 55 -21.340 1.952 8.113 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.966 1.148 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.563 2.792 5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.191 3.456 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.871 2.944 6.017 1.00 0.00 H new ATOM 853 N LEU A 56 -21.331 -0.046 5.776 1.00 0.00 N ATOM 854 CA LEU A 56 -20.871 -1.039 4.810 1.00 0.00 C ATOM 855 C LEU A 56 -21.303 -2.442 5.230 1.00 0.00 C ATOM 856 O LEU A 56 -21.627 -3.274 4.389 1.00 0.00 O ATOM 857 CB LEU A 56 -19.343 -0.980 4.636 1.00 0.00 C ATOM 858 CG LEU A 56 -18.798 0.199 3.818 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.481 0.302 2.465 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.950 1.499 4.572 1.00 0.00 C ATOM 0 H LEU A 56 -20.591 0.356 6.351 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.331 -0.806 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.887 -0.950 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -19.016 -1.906 4.162 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.737 0.011 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.070 1.148 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.312 -0.616 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.552 0.448 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.556 2.317 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.005 1.677 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.399 1.442 5.511 1.00 0.00 H new ATOM 872 N ARG A 57 -21.337 -2.694 6.536 1.00 0.00 N ATOM 873 CA ARG A 57 -21.753 -3.996 7.056 1.00 0.00 C ATOM 874 C ARG A 57 -23.245 -4.239 6.837 1.00 0.00 C ATOM 875 O ARG A 57 -23.744 -5.344 7.051 1.00 0.00 O ATOM 876 CB ARG A 57 -21.415 -4.120 8.542 1.00 0.00 C ATOM 877 CG ARG A 57 -19.924 -4.124 8.816 1.00 0.00 C ATOM 878 CD ARG A 57 -19.608 -4.549 10.242 1.00 0.00 C ATOM 879 NE ARG A 57 -19.953 -3.524 11.231 1.00 0.00 N ATOM 880 CZ ARG A 57 -19.276 -3.343 12.365 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.303 -4.183 12.695 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -19.593 -2.351 13.190 1.00 0.00 N ATOM 0 H ARG A 57 -21.082 -2.016 7.254 1.00 0.00 H new ATOM 0 HA ARG A 57 -21.202 -4.756 6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -21.875 -3.293 9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -21.852 -5.039 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.429 -4.799 8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.520 -3.128 8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -20.151 -5.466 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.546 -4.780 10.320 1.00 0.00 H new ATOM 0 HE ARG A 57 -20.752 -2.918 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.075 -4.965 12.081 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.784 -4.046 13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.360 -1.720 12.958 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.069 -2.220 14.055 1.00 0.00 H new ATOM 896 N LEU A 58 -23.954 -3.200 6.429 1.00 0.00 N ATOM 897 CA LEU A 58 -25.364 -3.325 6.089 1.00 0.00 C ATOM 898 C LEU A 58 -25.595 -2.940 4.636 1.00 0.00 C ATOM 899 O LEU A 58 -26.727 -2.675 4.231 1.00 0.00 O ATOM 900 CB LEU A 58 -26.242 -2.459 7.002 1.00 0.00 C ATOM 901 CG LEU A 58 -26.518 -3.030 8.396 1.00 0.00 C ATOM 902 CD1 LEU A 58 -25.300 -2.914 9.296 1.00 0.00 C ATOM 903 CD2 LEU A 58 -27.716 -2.339 9.024 1.00 0.00 C ATOM 0 H LEU A 58 -23.577 -2.258 6.325 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.646 -4.368 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.765 -1.485 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -27.196 -2.290 6.503 1.00 0.00 H new ATOM 0 HG LEU A 58 -26.745 -4.090 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -25.532 -3.329 10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -24.469 -3.465 8.856 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -25.024 -1.865 9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -27.899 -2.756 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -27.515 -1.271 9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -28.595 -2.493 8.397 1.00 0.00 H new ATOM 915 N LYS A 59 -24.525 -2.916 3.847 1.00 0.00 N ATOM 916 CA LYS A 59 -24.619 -2.469 2.465 1.00 0.00 C ATOM 917 C LYS A 59 -23.569 -3.159 1.590 1.00 0.00 C ATOM 918 O LYS A 59 -23.877 -4.103 0.860 1.00 0.00 O ATOM 919 CB LYS A 59 -24.455 -0.945 2.404 1.00 0.00 C ATOM 920 CG LYS A 59 -24.675 -0.339 1.031 1.00 0.00 C ATOM 921 CD LYS A 59 -24.156 1.091 0.980 1.00 0.00 C ATOM 922 CE LYS A 59 -24.737 1.948 2.097 1.00 0.00 C ATOM 923 NZ LYS A 59 -26.167 2.279 1.872 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.590 -3.199 4.140 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.601 -2.739 2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.155 -0.489 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.452 -0.687 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.168 -0.941 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.738 -0.354 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.069 1.085 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.406 1.534 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.634 1.422 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.162 2.870 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -26.516 2.863 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.265 2.805 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.722 1.401 1.819 1.00 0.00 H new ATOM 937 N ARG A 60 -22.323 -2.710 1.691 1.00 0.00 N ATOM 938 CA ARG A 60 -21.251 -3.205 0.836 1.00 0.00 C ATOM 939 C ARG A 60 -20.059 -3.644 1.676 1.00 0.00 C ATOM 940 O ARG A 60 -19.171 -2.848 1.973 1.00 0.00 O ATOM 941 CB ARG A 60 -20.811 -2.115 -0.144 1.00 0.00 C ATOM 942 CG ARG A 60 -21.909 -1.623 -1.080 1.00 0.00 C ATOM 943 CD ARG A 60 -22.233 -2.635 -2.171 1.00 0.00 C ATOM 944 NE ARG A 60 -23.049 -3.748 -1.682 1.00 0.00 N ATOM 945 CZ ARG A 60 -23.653 -4.632 -2.472 1.00 0.00 C ATOM 946 NH1 ARG A 60 -23.563 -4.515 -3.788 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -24.365 -5.620 -1.938 1.00 0.00 N ATOM 0 H ARG A 60 -22.029 -1.999 2.361 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.627 -4.062 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.429 -1.267 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.984 -2.496 -0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.809 -1.414 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.599 -0.684 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -22.759 -2.133 -2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -21.304 -3.025 -2.587 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.161 -3.852 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.030 -3.747 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -24.026 -5.193 -4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -24.447 -5.699 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -24.829 -6.299 -2.542 1.00 0.00 H new ATOM 961 N GLN A 61 -20.046 -4.907 2.060 1.00 0.00 N ATOM 962 CA GLN A 61 -18.983 -5.432 2.900 1.00 0.00 C ATOM 963 C GLN A 61 -18.232 -6.555 2.190 1.00 0.00 C ATOM 964 O GLN A 61 -18.798 -7.607 1.899 1.00 0.00 O ATOM 965 CB GLN A 61 -19.569 -5.924 4.228 1.00 0.00 C ATOM 966 CG GLN A 61 -20.755 -6.867 4.065 1.00 0.00 C ATOM 967 CD GLN A 61 -21.391 -7.244 5.386 1.00 0.00 C ATOM 968 OE1 GLN A 61 -20.727 -7.289 6.416 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.683 -7.527 5.364 1.00 0.00 N ATOM 0 H GLN A 61 -20.759 -5.589 1.804 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.269 -4.634 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.788 -6.432 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.880 -5.062 4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.503 -6.395 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.426 -7.772 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -23.201 -7.478 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.161 -7.794 6.224 1.00 0.00 H new ATOM 978 N GLY A 62 -16.961 -6.317 1.901 1.00 0.00 N ATOM 979 CA GLY A 62 -16.139 -7.326 1.266 1.00 0.00 C ATOM 980 C GLY A 62 -14.653 -7.075 1.449 1.00 0.00 C ATOM 981 O GLY A 62 -14.223 -5.927 1.563 1.00 0.00 O ATOM 0 H GLY A 62 -16.482 -5.438 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.391 -8.304 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.369 -7.358 0.201 1.00 0.00 H new ATOM 985 N VAL A 63 -13.871 -8.148 1.483 1.00 0.00 N ATOM 986 CA VAL A 63 -12.422 -8.040 1.613 1.00 0.00 C ATOM 987 C VAL A 63 -11.748 -8.316 0.274 1.00 0.00 C ATOM 988 O VAL A 63 -11.964 -9.366 -0.335 1.00 0.00 O ATOM 989 CB VAL A 63 -11.866 -9.029 2.662 1.00 0.00 C ATOM 990 CG1 VAL A 63 -10.365 -8.839 2.846 1.00 0.00 C ATOM 991 CG2 VAL A 63 -12.590 -8.880 3.990 1.00 0.00 C ATOM 0 H VAL A 63 -14.217 -9.106 1.422 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.205 -7.023 1.941 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.040 -10.040 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.997 -9.546 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.857 -9.013 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.166 -7.822 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.179 -9.588 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.459 -7.865 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.652 -9.081 3.850 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.926 -7.382 -0.173 1.00 0.00 N ATOM 1002 CA GLY A 64 -10.235 -7.546 -1.435 1.00 0.00 C ATOM 1003 C GLY A 64 -8.800 -7.082 -1.352 1.00 0.00 C ATOM 1004 O GLY A 64 -8.443 -6.318 -0.458 1.00 0.00 O ATOM 0 H GLY A 64 -10.724 -6.510 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.262 -8.595 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.755 -6.983 -2.210 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.972 -7.536 -2.277 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.570 -7.151 -2.288 1.00 0.00 C ATOM 1010 C GLN A 65 -6.345 -6.119 -3.387 1.00 0.00 C ATOM 1011 O GLN A 65 -6.676 -6.359 -4.551 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.682 -8.378 -2.498 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.239 -8.169 -2.072 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.376 -9.393 -2.311 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.606 -10.155 -3.244 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.372 -9.589 -1.470 1.00 0.00 N ATOM 0 H GLN A 65 -8.244 -8.170 -3.028 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.304 -6.710 -1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.098 -9.216 -1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.704 -8.655 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.822 -7.323 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.211 -7.910 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.212 -8.933 -0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.759 -10.396 -1.587 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.788 -4.975 -3.015 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.711 -3.825 -3.908 1.00 0.00 C ATOM 1027 C VAL A 66 -4.287 -3.258 -3.978 1.00 0.00 C ATOM 1028 O VAL A 66 -3.738 -2.806 -2.976 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.701 -2.735 -3.424 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.534 -1.425 -4.167 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.134 -3.221 -3.561 1.00 0.00 C ATOM 0 H VAL A 66 -5.380 -4.817 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.981 -4.150 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.473 -2.549 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.252 -0.698 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.522 -1.048 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.707 -1.586 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.816 -2.444 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.342 -3.450 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.273 -4.119 -2.958 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.682 -3.309 -5.161 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.350 -2.746 -5.360 1.00 0.00 C ATOM 1043 C ARG A 67 -2.462 -1.491 -6.216 1.00 0.00 C ATOM 1044 O ARG A 67 -3.311 -1.417 -7.107 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.393 -3.760 -6.009 1.00 0.00 C ATOM 1046 CG ARG A 67 -1.729 -4.117 -7.447 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.624 -4.947 -8.076 1.00 0.00 C ATOM 1048 NE ARG A 67 -1.082 -5.655 -9.269 1.00 0.00 N ATOM 1049 CZ ARG A 67 -0.406 -5.707 -10.416 1.00 0.00 C ATOM 1050 NH1 ARG A 67 0.724 -5.019 -10.567 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 -0.884 -6.434 -11.420 1.00 0.00 N ATOM 0 H ARG A 67 -4.091 -3.733 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.932 -2.492 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.381 -3.357 -5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.393 -4.672 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.667 -4.671 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.878 -3.206 -8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.212 -4.298 -8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.252 -5.667 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.977 -6.141 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.079 -4.446 -9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.235 -5.065 -11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.760 -6.945 -11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.375 -6.481 -12.303 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.617 -0.508 -5.947 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.754 0.794 -6.571 1.00 0.00 C ATOM 1067 C PHE A 68 -0.447 1.579 -6.572 1.00 0.00 C ATOM 1068 O PHE A 68 0.407 1.397 -5.704 1.00 0.00 O ATOM 1069 CB PHE A 68 -2.849 1.609 -5.863 1.00 0.00 C ATOM 1070 CG PHE A 68 -2.970 1.363 -4.386 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -1.876 1.482 -3.545 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.194 1.021 -3.840 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.003 1.261 -2.189 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.328 0.799 -2.487 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.233 0.920 -1.660 1.00 0.00 C ATOM 0 H PHE A 68 -0.831 -0.589 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.034 0.622 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.653 2.669 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.807 1.387 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.914 1.751 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.056 0.927 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.143 1.354 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.290 0.531 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.336 0.748 -0.599 1.00 0.00 H new ATOM 1085 N THR A 69 -0.307 2.433 -7.578 1.00 0.00 N ATOM 1086 CA THR A 69 0.777 3.399 -7.655 1.00 0.00 C ATOM 1087 C THR A 69 0.289 4.715 -7.073 1.00 0.00 C ATOM 1088 O THR A 69 -0.758 5.224 -7.477 1.00 0.00 O ATOM 1089 CB THR A 69 1.219 3.614 -9.112 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.452 2.349 -9.746 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.483 4.450 -9.179 1.00 0.00 C ATOM 0 H THR A 69 -0.949 2.473 -8.369 1.00 0.00 H new ATOM 0 HA THR A 69 1.633 3.024 -7.093 1.00 0.00 H new ATOM 0 HB THR A 69 0.421 4.144 -9.632 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.731 2.495 -10.674 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.774 4.587 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.301 5.423 -8.722 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.284 3.942 -8.642 1.00 0.00 H new ATOM 1099 N LEU A 70 1.030 5.250 -6.121 1.00 0.00 N ATOM 1100 CA LEU A 70 0.567 6.395 -5.362 1.00 0.00 C ATOM 1101 C LEU A 70 1.518 7.574 -5.459 1.00 0.00 C ATOM 1102 O LEU A 70 2.740 7.410 -5.440 1.00 0.00 O ATOM 1103 CB LEU A 70 0.403 5.996 -3.904 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.549 4.834 -3.664 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.444 4.363 -2.223 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.976 5.241 -4.011 1.00 0.00 C ATOM 0 H LEU A 70 1.954 4.910 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.387 6.709 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.382 5.735 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.048 6.860 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.271 4.003 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.129 3.531 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.576 4.037 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.703 5.182 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.647 4.400 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.276 6.082 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.026 5.532 -5.060 1.00 0.00 H new ATOM 1118 N ASP A 71 0.935 8.756 -5.583 1.00 0.00 N ATOM 1119 CA ASP A 71 1.683 10.001 -5.548 1.00 0.00 C ATOM 1120 C ASP A 71 1.992 10.354 -4.100 1.00 0.00 C ATOM 1121 O ASP A 71 1.283 9.930 -3.189 1.00 0.00 O ATOM 1122 CB ASP A 71 0.856 11.122 -6.187 1.00 0.00 C ATOM 1123 CG ASP A 71 1.653 12.397 -6.409 1.00 0.00 C ATOM 1124 OD1 ASP A 71 1.887 13.141 -5.436 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 2.039 12.670 -7.562 1.00 0.00 O ATOM 0 H ASP A 71 -0.070 8.878 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 71 2.613 9.885 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.462 10.776 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.001 11.342 -5.550 1.00 0.00 H new ATOM 1130 N ARG A 72 3.039 11.141 -3.903 1.00 0.00 N ATOM 1131 CA ARG A 72 3.474 11.543 -2.568 1.00 0.00 C ATOM 1132 C ARG A 72 2.415 12.378 -1.845 1.00 0.00 C ATOM 1133 O ARG A 72 2.439 12.487 -0.621 1.00 0.00 O ATOM 1134 CB ARG A 72 4.773 12.342 -2.657 1.00 0.00 C ATOM 1135 CG ARG A 72 4.661 13.583 -3.526 1.00 0.00 C ATOM 1136 CD ARG A 72 5.957 14.368 -3.557 1.00 0.00 C ATOM 1137 NE ARG A 72 5.846 15.548 -4.411 1.00 0.00 N ATOM 1138 CZ ARG A 72 6.572 16.653 -4.257 1.00 0.00 C ATOM 1139 NH1 ARG A 72 7.492 16.720 -3.300 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 6.381 17.687 -5.064 1.00 0.00 N ATOM 0 H ARG A 72 3.611 11.519 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 72 3.634 10.631 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.079 12.637 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.559 11.700 -3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.388 13.293 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.860 14.219 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.223 14.673 -2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.762 13.729 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 72 5.169 15.524 -5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.643 15.923 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.047 17.568 -3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.678 17.635 -5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.936 18.534 -4.947 1.00 0.00 H new ATOM 1154 N GLN A 73 1.506 12.987 -2.602 1.00 0.00 N ATOM 1155 CA GLN A 73 0.416 13.759 -2.008 1.00 0.00 C ATOM 1156 C GLN A 73 -0.773 12.848 -1.716 1.00 0.00 C ATOM 1157 O GLN A 73 -1.774 13.270 -1.134 1.00 0.00 O ATOM 1158 CB GLN A 73 -0.023 14.891 -2.941 1.00 0.00 C ATOM 1159 CG GLN A 73 -0.698 14.400 -4.212 1.00 0.00 C ATOM 1160 CD GLN A 73 -1.188 15.524 -5.100 1.00 0.00 C ATOM 1161 OE1 GLN A 73 -1.231 15.385 -6.322 1.00 0.00 O ATOM 1162 NE2 GLN A 73 -1.575 16.637 -4.501 1.00 0.00 N ATOM 0 H GLN A 73 1.501 12.962 -3.622 1.00 0.00 H new ATOM 0 HA GLN A 73 0.778 14.195 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.708 15.548 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.848 15.489 -3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.003 13.782 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.541 13.763 -3.945 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.524 16.714 -3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.925 17.419 -5.055 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.648 11.595 -2.123 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.728 10.653 -1.967 1.00 0.00 C ATOM 1173 C GLY A 74 -2.685 10.689 -3.131 1.00 0.00 C ATOM 1174 O GLY A 74 -3.897 10.598 -2.955 1.00 0.00 O ATOM 0 H GLY A 74 0.190 11.214 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.320 9.648 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.269 10.872 -1.047 1.00 0.00 H new ATOM 1178 N HIS A 75 -2.136 10.843 -4.322 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.939 10.857 -5.529 1.00 0.00 C ATOM 1180 C HIS A 75 -2.870 9.503 -6.216 1.00 0.00 C ATOM 1181 O HIS A 75 -1.799 9.080 -6.658 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.461 11.965 -6.482 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.160 11.968 -7.812 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.409 12.511 -8.004 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.775 11.485 -9.019 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -4.766 12.358 -9.265 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.791 11.739 -9.904 1.00 0.00 N ATOM 0 H HIS A 75 -1.135 10.960 -4.479 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.974 11.062 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.610 12.932 -6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.389 11.852 -6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.841 10.991 -9.242 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.699 12.684 -9.701 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.793 11.491 -10.893 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.004 8.817 -6.256 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.139 7.582 -7.014 1.00 0.00 C ATOM 1198 C VAL A 76 -3.606 7.750 -8.442 1.00 0.00 C ATOM 1199 O VAL A 76 -4.104 8.564 -9.220 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.616 7.120 -7.051 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.535 8.248 -7.507 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.774 5.906 -7.947 1.00 0.00 C ATOM 0 H VAL A 76 -4.853 9.100 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.545 6.819 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.905 6.841 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.566 7.894 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.451 9.088 -6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.247 8.570 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.819 5.597 -7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.458 6.157 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.159 5.091 -7.567 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.561 7.003 -8.759 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.970 7.035 -10.089 1.00 0.00 C ATOM 1214 C LEU A 77 -2.358 5.784 -10.860 1.00 0.00 C ATOM 1215 O LEU A 77 -2.665 5.836 -12.049 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.447 7.131 -9.983 1.00 0.00 C ATOM 1217 CG LEU A 77 0.074 8.377 -9.268 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.510 8.172 -8.823 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.027 9.597 -10.172 1.00 0.00 C ATOM 0 H LEU A 77 -2.102 6.364 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.344 7.910 -10.621 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.078 6.249 -9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.026 7.104 -10.988 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.544 8.548 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.865 9.069 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.562 7.324 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.136 7.975 -9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.349 10.473 -9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.566 9.433 -11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.069 9.759 -10.449 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.352 4.662 -10.161 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.705 3.378 -10.742 1.00 0.00 C ATOM 1233 C ALA A 78 -3.361 2.514 -9.689 1.00 0.00 C ATOM 1234 O ALA A 78 -3.007 2.613 -8.526 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.466 2.673 -11.263 1.00 0.00 C ATOM 0 H ALA A 78 -2.102 4.616 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.393 3.545 -11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.748 1.713 -11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.991 3.289 -12.027 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.768 2.510 -10.442 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.308 1.680 -10.090 1.00 0.00 N ATOM 1242 CA VAL A 79 -4.924 0.720 -9.184 1.00 0.00 C ATOM 1243 C VAL A 79 -5.196 -0.561 -9.943 1.00 0.00 C ATOM 1244 O VAL A 79 -5.763 -0.535 -11.037 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.255 1.220 -8.572 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.833 0.171 -7.633 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.070 2.535 -7.835 1.00 0.00 C ATOM 0 H VAL A 79 -4.669 1.648 -11.043 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.227 0.566 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.953 1.390 -9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.769 0.537 -7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.020 -0.749 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.125 -0.027 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.025 2.856 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.349 2.402 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.704 3.292 -8.528 1.00 0.00 H new ATOM 1257 N THR A 80 -4.775 -1.675 -9.385 1.00 0.00 N ATOM 1258 CA THR A 80 -4.986 -2.959 -10.013 1.00 0.00 C ATOM 1259 C THR A 80 -5.450 -3.974 -8.983 1.00 0.00 C ATOM 1260 O THR A 80 -4.766 -4.214 -7.986 1.00 0.00 O ATOM 1261 CB THR A 80 -3.695 -3.456 -10.688 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.112 -2.395 -11.454 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.975 -4.641 -11.600 1.00 0.00 C ATOM 0 H THR A 80 -4.282 -1.716 -8.493 1.00 0.00 H new ATOM 0 HA THR A 80 -5.755 -2.843 -10.777 1.00 0.00 H new ATOM 0 HB THR A 80 -3.004 -3.775 -9.908 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.290 -2.714 -11.881 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.045 -4.971 -12.063 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.399 -5.458 -11.016 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.681 -4.344 -12.375 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.630 -4.535 -9.202 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.141 -5.578 -8.330 1.00 0.00 C ATOM 1273 C LEU A 81 -6.189 -6.764 -8.345 1.00 0.00 C ATOM 1274 O LEU A 81 -5.925 -7.350 -9.393 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.536 -6.022 -8.766 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.219 -7.006 -7.813 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.549 -6.329 -6.491 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.474 -7.575 -8.452 1.00 0.00 C ATOM 0 H LEU A 81 -7.249 -4.286 -9.974 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.214 -5.180 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.168 -5.140 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.465 -6.481 -9.752 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.531 -7.828 -7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.034 -7.044 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.631 -5.969 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.219 -5.488 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.949 -8.273 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.165 -6.764 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.210 -8.097 -9.372 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.665 -7.097 -7.182 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.666 -8.147 -7.072 1.00 0.00 C ATOM 1292 C VAL A 82 -5.346 -9.484 -6.819 1.00 0.00 C ATOM 1293 O VAL A 82 -5.042 -10.483 -7.474 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.663 -7.841 -5.938 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.246 -8.212 -6.339 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.733 -6.379 -5.552 1.00 0.00 C ATOM 0 H VAL A 82 -5.914 -6.656 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.114 -8.194 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.938 -8.448 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.564 -7.984 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.199 -9.277 -6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.956 -7.641 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.020 -6.179 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.489 -5.762 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.740 -6.141 -5.209 1.00 0.00 H new ATOM 1306 N SER A 83 -6.286 -9.485 -5.881 1.00 0.00 N ATOM 1307 CA SER A 83 -7.054 -10.678 -5.559 1.00 0.00 C ATOM 1308 C SER A 83 -8.460 -10.291 -5.103 1.00 0.00 C ATOM 1309 O SER A 83 -8.646 -9.265 -4.442 1.00 0.00 O ATOM 1310 CB SER A 83 -6.358 -11.485 -4.461 1.00 0.00 C ATOM 1311 OG SER A 83 -5.005 -11.755 -4.794 1.00 0.00 O ATOM 0 H SER A 83 -6.535 -8.665 -5.327 1.00 0.00 H new ATOM 0 HA SER A 83 -7.125 -11.294 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.400 -10.935 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.890 -12.424 -4.305 1.00 0.00 H new ATOM 0 HG SER A 83 -4.416 -11.178 -4.264 1.00 0.00 H new ATOM 1317 N SER A 84 -9.443 -11.099 -5.467 1.00 0.00 N ATOM 1318 CA SER A 84 -10.818 -10.860 -5.062 1.00 0.00 C ATOM 1319 C SER A 84 -11.447 -12.161 -4.573 1.00 0.00 C ATOM 1320 O SER A 84 -11.722 -13.066 -5.362 1.00 0.00 O ATOM 1321 CB SER A 84 -11.622 -10.276 -6.230 1.00 0.00 C ATOM 1322 OG SER A 84 -12.938 -9.929 -5.831 1.00 0.00 O ATOM 0 H SER A 84 -9.313 -11.929 -6.045 1.00 0.00 H new ATOM 0 HA SER A 84 -10.829 -10.138 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.113 -9.394 -6.618 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.666 -11.002 -7.042 1.00 0.00 H new ATOM 0 HG SER A 84 -13.425 -9.558 -6.596 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.661 -12.246 -3.263 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.169 -13.462 -2.633 1.00 0.00 C ATOM 1330 C ALA A 85 -13.578 -13.806 -3.104 1.00 0.00 C ATOM 1331 O ALA A 85 -13.909 -14.976 -3.294 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.143 -13.311 -1.120 1.00 0.00 C ATOM 0 H ALA A 85 -11.489 -11.480 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.518 -14.284 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.523 -14.222 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.119 -13.136 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.768 -12.467 -0.828 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.401 -12.786 -3.294 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.772 -13.011 -3.699 1.00 0.00 C ATOM 1340 C GLY A 86 -16.607 -11.762 -3.574 1.00 0.00 C ATOM 1341 O GLY A 86 -17.622 -11.756 -2.879 1.00 0.00 O ATOM 0 H GLY A 86 -14.144 -11.806 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.793 -13.360 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.207 -13.801 -3.087 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.185 -10.694 -4.239 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.888 -9.420 -4.138 1.00 0.00 C ATOM 1347 C LEU A 87 -17.359 -8.970 -5.519 1.00 0.00 C ATOM 1348 O LEU A 87 -16.768 -8.069 -6.112 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.005 -8.305 -3.536 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.100 -8.661 -2.344 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.847 -9.473 -1.303 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.844 -9.385 -2.802 1.00 0.00 C ATOM 0 H LEU A 87 -15.367 -10.683 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.736 -9.583 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.370 -7.916 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.661 -7.492 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.795 -7.725 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.178 -9.707 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.695 -8.897 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.206 -10.399 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.225 -9.623 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.121 -10.306 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.284 -8.745 -3.484 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.415 -9.594 -6.063 1.00 0.00 N ATOM 1365 CA PRO A 88 -18.953 -9.229 -7.372 1.00 0.00 C ATOM 1366 C PRO A 88 -19.764 -7.938 -7.307 1.00 0.00 C ATOM 1367 O PRO A 88 -19.374 -6.917 -7.873 1.00 0.00 O ATOM 1368 CB PRO A 88 -19.849 -10.423 -7.753 1.00 0.00 C ATOM 1369 CG PRO A 88 -19.618 -11.456 -6.694 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.165 -10.709 -5.475 1.00 0.00 C ATOM 0 HA PRO A 88 -18.166 -9.040 -8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.898 -10.129 -7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.590 -10.808 -8.739 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.531 -12.016 -6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -18.865 -12.177 -7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.005 -10.363 -4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.541 -11.325 -4.828 1.00 0.00 H new ATOM 1378 N SER A 89 -20.882 -7.980 -6.592 1.00 0.00 N ATOM 1379 CA SER A 89 -21.735 -6.809 -6.446 1.00 0.00 C ATOM 1380 C SER A 89 -21.090 -5.802 -5.493 1.00 0.00 C ATOM 1381 O SER A 89 -21.348 -4.600 -5.563 1.00 0.00 O ATOM 1382 CB SER A 89 -23.119 -7.232 -5.934 1.00 0.00 C ATOM 1383 OG SER A 89 -24.034 -6.150 -5.935 1.00 0.00 O ATOM 0 H SER A 89 -21.218 -8.811 -6.105 1.00 0.00 H new ATOM 0 HA SER A 89 -21.855 -6.331 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.507 -8.037 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.027 -7.629 -4.923 1.00 0.00 H new ATOM 0 HG SER A 89 -24.856 -6.417 -5.474 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.223 -6.301 -4.622 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.581 -5.470 -3.612 1.00 0.00 C ATOM 1391 C LEU A 90 -18.526 -4.562 -4.230 1.00 0.00 C ATOM 1392 O LEU A 90 -18.308 -3.444 -3.757 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.918 -6.347 -2.552 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.845 -7.318 -1.828 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.021 -8.368 -1.108 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.735 -6.567 -0.852 1.00 0.00 C ATOM 0 H LEU A 90 -19.947 -7.283 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.354 -4.852 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.120 -6.919 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.449 -5.699 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.486 -7.815 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.685 -9.061 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.417 -8.916 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.367 -7.883 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.392 -7.272 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.116 -6.051 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.337 -5.838 -1.395 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.900 -5.048 -5.297 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.749 -4.379 -5.910 1.00 0.00 C ATOM 1410 C ASP A 91 -17.052 -2.931 -6.271 1.00 0.00 C ATOM 1411 O ASP A 91 -16.269 -2.034 -5.962 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.318 -5.140 -7.166 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.113 -4.526 -7.858 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -13.972 -4.904 -7.517 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -15.303 -3.693 -8.774 1.00 0.00 O1- ATOM 0 H ASP A 91 -18.172 -5.914 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.943 -4.376 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.087 -6.171 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.153 -5.173 -7.866 1.00 0.00 H new ATOM 1420 N ARG A 92 -18.207 -2.706 -6.883 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.553 -1.393 -7.421 1.00 0.00 C ATOM 1422 C ARG A 92 -18.442 -0.278 -6.372 1.00 0.00 C ATOM 1423 O ARG A 92 -17.830 0.754 -6.632 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.964 -1.418 -8.023 1.00 0.00 C ATOM 1425 CG ARG A 92 -21.052 -1.820 -7.041 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.400 -1.976 -7.723 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.381 -3.031 -8.737 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.383 -3.888 -8.936 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.492 -3.806 -8.212 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.276 -4.835 -9.858 1.00 0.00 N ATOM 0 H ARG A 92 -18.924 -3.418 -7.021 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.828 -1.169 -8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.195 -0.430 -8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.976 -2.110 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.778 -2.759 -6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.127 -1.069 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -23.160 -2.204 -6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.683 -1.031 -8.187 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.553 -3.116 -9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.582 -3.084 -7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -25.254 -4.465 -8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.426 -4.909 -10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -24.044 -5.489 -10.008 1.00 0.00 H new ATOM 1444 N GLU A 93 -19.032 -0.479 -5.201 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.061 0.563 -4.179 1.00 0.00 C ATOM 1446 C GLU A 93 -17.727 0.669 -3.432 1.00 0.00 C ATOM 1447 O GLU A 93 -17.140 1.747 -3.349 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.200 0.303 -3.196 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.512 1.474 -2.272 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.081 2.670 -3.011 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -22.281 2.647 -3.359 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -20.336 3.641 -3.241 1.00 0.00 O ATOM 0 H GLU A 93 -19.495 -1.348 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.230 1.515 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.099 0.050 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.949 -0.567 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.222 1.151 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.602 1.773 -1.752 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.248 -0.451 -2.893 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.049 -0.451 -2.057 1.00 0.00 C ATOM 1461 C ILE A 94 -14.814 -0.003 -2.835 1.00 0.00 C ATOM 1462 O ILE A 94 -13.930 0.653 -2.283 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.780 -1.833 -1.411 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.539 -2.903 -2.481 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.942 -2.228 -0.510 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.195 -4.268 -1.915 1.00 0.00 C ATOM 0 H ILE A 94 -17.672 -1.370 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.244 0.267 -1.260 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.877 -1.757 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.431 -2.991 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.729 -2.576 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.741 -3.201 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.061 -1.484 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.857 -2.282 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.039 -4.972 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.285 -4.196 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.014 -4.618 -1.286 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.747 -0.340 -4.117 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.627 0.081 -4.921 1.00 0.00 C ATOM 1480 C GLN A 95 -13.824 1.503 -5.412 1.00 0.00 C ATOM 1481 O GLN A 95 -12.873 2.220 -5.635 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.422 -0.842 -6.100 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.216 -2.302 -5.719 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.888 -2.566 -5.042 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.904 -1.872 -5.279 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.851 -3.589 -4.206 1.00 0.00 N ATOM 0 H GLN A 95 -15.448 -0.895 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.738 0.041 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.287 -0.768 -6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.557 -0.501 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.022 -2.613 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.287 -2.917 -6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.692 -4.140 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.981 -3.827 -3.730 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.053 1.927 -5.586 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.284 3.333 -5.869 1.00 0.00 C ATOM 1497 C ALA A 96 -14.659 4.148 -4.746 1.00 0.00 C ATOM 1498 O ALA A 96 -13.965 5.134 -4.977 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.768 3.636 -5.996 1.00 0.00 C ATOM 0 H ALA A 96 -15.889 1.344 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.827 3.595 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.906 4.696 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.192 3.046 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.272 3.384 -5.063 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.839 3.648 -3.534 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.345 4.272 -2.351 1.00 0.00 C ATOM 1507 C LEU A 97 -12.812 4.234 -2.275 1.00 0.00 C ATOM 1508 O LEU A 97 -12.163 5.272 -2.188 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.936 3.508 -1.179 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.673 4.144 0.144 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.924 4.848 0.649 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.147 3.127 1.141 1.00 0.00 C ATOM 0 H LEU A 97 -15.344 2.780 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.631 5.324 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.013 3.418 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.529 2.497 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.896 4.899 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.718 5.308 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.221 5.618 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.731 4.123 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.963 3.616 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.883 2.334 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.217 2.699 0.768 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.245 3.035 -2.334 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.796 2.849 -2.197 1.00 0.00 C ATOM 1526 C VAL A 98 -10.060 2.953 -3.536 1.00 0.00 C ATOM 1527 O VAL A 98 -9.056 3.657 -3.652 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.474 1.485 -1.554 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -8.972 1.242 -1.526 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.056 1.404 -0.151 1.00 0.00 C ATOM 0 H VAL A 98 -12.766 2.169 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.447 3.656 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.933 0.705 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.769 0.274 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.583 1.251 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.487 2.027 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.818 0.434 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.629 2.195 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.138 1.525 -0.198 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.562 2.246 -4.540 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.921 2.190 -5.854 1.00 0.00 C ATOM 1542 C LYS A 99 -9.927 3.566 -6.535 1.00 0.00 C ATOM 1543 O LYS A 99 -9.115 3.827 -7.422 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.598 1.116 -6.739 1.00 0.00 C ATOM 1545 CG LYS A 99 -10.073 1.034 -8.166 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.786 -0.050 -8.965 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.650 -1.415 -8.306 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.419 -2.467 -9.027 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.419 1.697 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.878 1.905 -5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.471 0.143 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.669 1.317 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.206 1.997 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.002 0.830 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.842 0.204 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.374 -0.090 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.598 -1.696 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.998 -1.355 -7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.297 -3.379 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.428 -2.213 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.070 -2.544 -10.004 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.835 4.460 -6.130 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.782 5.821 -6.637 1.00 0.00 C ATOM 1564 C ARG A 100 -10.025 6.735 -5.676 1.00 0.00 C ATOM 1565 O ARG A 100 -9.320 7.646 -6.108 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.180 6.382 -6.907 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.159 7.754 -7.564 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.420 7.717 -8.894 1.00 0.00 C ATOM 1569 NE ARG A 100 -12.103 6.866 -9.872 1.00 0.00 N ATOM 1570 CZ ARG A 100 -11.570 5.783 -10.434 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -10.356 5.370 -10.091 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -12.266 5.100 -11.335 1.00 0.00 N ATOM 0 H ARG A 100 -11.591 4.268 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.245 5.787 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.725 5.688 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.727 6.445 -5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.181 8.100 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.679 8.471 -6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -11.333 8.729 -9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.406 7.349 -8.737 1.00 0.00 H new ATOM 0 HE ARG A 100 -13.053 7.121 -10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.822 5.884 -9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.958 4.539 -10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.204 5.406 -11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.863 4.270 -11.769 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.164 6.498 -4.377 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.467 7.307 -3.386 1.00 0.00 C ATOM 1588 C ALA A 101 -8.311 6.533 -2.771 1.00 0.00 C ATOM 1589 O ALA A 101 -8.400 6.072 -1.635 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.415 7.785 -2.296 1.00 0.00 C ATOM 0 H ALA A 101 -10.748 5.758 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.069 8.182 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.864 8.386 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.206 8.388 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.855 6.924 -1.793 1.00 0.00 H new ATOM 1596 N SER A 102 -7.239 6.377 -3.532 1.00 0.00 N ATOM 1597 CA SER A 102 -6.045 5.713 -3.036 1.00 0.00 C ATOM 1598 C SER A 102 -5.060 6.747 -2.492 1.00 0.00 C ATOM 1599 O SER A 102 -4.342 7.399 -3.252 1.00 0.00 O ATOM 1600 CB SER A 102 -5.415 4.887 -4.155 1.00 0.00 C ATOM 1601 OG SER A 102 -6.386 4.060 -4.774 1.00 0.00 O ATOM 0 H SER A 102 -7.172 6.702 -4.497 1.00 0.00 H new ATOM 0 HA SER A 102 -6.312 5.041 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.969 5.550 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.610 4.272 -3.751 1.00 0.00 H new ATOM 0 HG SER A 102 -7.170 3.984 -4.191 1.00 0.00 H new ATOM 1607 N PRO A 103 -5.036 6.924 -1.162 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.257 7.953 -0.501 1.00 0.00 C ATOM 1609 C PRO A 103 -2.945 7.461 0.111 1.00 0.00 C ATOM 1610 O PRO A 103 -2.811 6.302 0.504 1.00 0.00 O ATOM 1611 CB PRO A 103 -5.220 8.384 0.603 1.00 0.00 C ATOM 1612 CG PRO A 103 -6.016 7.154 0.941 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.800 6.157 -0.177 1.00 0.00 C ATOM 0 HA PRO A 103 -3.935 8.731 -1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.679 8.754 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.869 9.192 0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.693 6.737 1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.074 7.396 1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.251 5.280 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.745 5.801 -0.588 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.985 8.368 0.186 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.720 8.126 0.858 1.00 0.00 C ATOM 1623 C LEU A 104 -0.295 9.426 1.536 1.00 0.00 C ATOM 1624 O LEU A 104 -0.075 10.433 0.867 1.00 0.00 O ATOM 1625 CB LEU A 104 0.344 7.670 -0.149 1.00 0.00 C ATOM 1626 CG LEU A 104 1.245 6.518 0.321 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.236 6.136 -0.767 1.00 0.00 C ATOM 1628 CD2 LEU A 104 1.981 6.881 1.599 1.00 0.00 C ATOM 0 H LEU A 104 -2.063 9.300 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.831 7.334 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.157 7.365 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.974 8.524 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 104 0.606 5.660 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.865 5.318 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.694 5.819 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.860 6.996 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.610 6.046 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.603 7.759 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.259 7.099 2.385 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.240 9.434 2.878 1.00 0.00 N ATOM 1641 CA PRO A 105 0.090 10.632 3.647 1.00 0.00 C ATOM 1642 C PRO A 105 1.565 10.987 3.581 1.00 0.00 C ATOM 1643 O PRO A 105 1.934 12.091 3.180 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.289 10.287 5.087 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.813 8.890 5.076 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.501 8.280 3.742 1.00 0.00 C ATOM 0 HA PRO A 105 -0.440 11.497 3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.577 10.369 5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.042 10.979 5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.357 8.307 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.889 8.887 5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.364 7.619 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.334 7.684 3.371 1.00 0.00 H new ATOM 1654 N THR A 106 2.394 10.058 4.011 1.00 0.00 N ATOM 1655 CA THR A 106 3.831 10.257 3.987 1.00 0.00 C ATOM 1656 C THR A 106 4.363 10.184 2.558 1.00 0.00 C ATOM 1657 O THR A 106 4.127 9.207 1.854 1.00 0.00 O ATOM 1658 CB THR A 106 4.567 9.226 4.875 1.00 0.00 C ATOM 1659 OG1 THR A 106 5.986 9.380 4.736 1.00 0.00 O ATOM 1660 CG2 THR A 106 4.168 7.796 4.529 1.00 0.00 C ATOM 0 H THR A 106 2.098 9.155 4.382 1.00 0.00 H new ATOM 0 HA THR A 106 4.025 11.251 4.390 1.00 0.00 H new ATOM 0 HB THR A 106 4.277 9.415 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.443 8.724 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.706 7.102 5.174 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.095 7.672 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.417 7.591 3.488 1.00 0.00 H new ATOM 1668 N PRO A 107 5.071 11.232 2.107 1.00 0.00 N ATOM 1669 CA PRO A 107 5.693 11.250 0.784 1.00 0.00 C ATOM 1670 C PRO A 107 6.873 10.289 0.718 1.00 0.00 C ATOM 1671 O PRO A 107 7.947 10.563 1.267 1.00 0.00 O ATOM 1672 CB PRO A 107 6.161 12.702 0.609 1.00 0.00 C ATOM 1673 CG PRO A 107 5.529 13.467 1.724 1.00 0.00 C ATOM 1674 CD PRO A 107 5.315 12.481 2.834 1.00 0.00 C ATOM 0 HA PRO A 107 5.006 10.933 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.248 12.771 0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.856 13.098 -0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.171 14.286 2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.584 13.909 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.186 12.408 3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.469 12.756 3.463 1.00 0.00 H new ATOM 1682 N PRO A 108 6.693 9.148 0.043 1.00 0.00 N ATOM 1683 CA PRO A 108 7.675 8.079 0.025 1.00 0.00 C ATOM 1684 C PRO A 108 8.711 8.245 -1.081 1.00 0.00 C ATOM 1685 O PRO A 108 8.869 7.371 -1.934 1.00 0.00 O ATOM 1686 CB PRO A 108 6.807 6.853 -0.225 1.00 0.00 C ATOM 1687 CG PRO A 108 5.704 7.347 -1.101 1.00 0.00 C ATOM 1688 CD PRO A 108 5.510 8.809 -0.770 1.00 0.00 C ATOM 0 HA PRO A 108 8.266 8.037 0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.373 6.058 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.420 6.444 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.958 7.219 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.787 6.785 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.457 9.419 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.585 8.974 -0.218 1.00 0.00 H new ATOM 1696 N ALA A 109 9.415 9.368 -1.065 1.00 0.00 N ATOM 1697 CA ALA A 109 10.469 9.610 -2.043 1.00 0.00 C ATOM 1698 C ALA A 109 11.542 8.537 -1.926 1.00 0.00 C ATOM 1699 O ALA A 109 12.005 7.991 -2.924 1.00 0.00 O ATOM 1700 CB ALA A 109 11.069 10.992 -1.852 1.00 0.00 C ATOM 0 H ALA A 109 9.278 10.122 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 109 10.037 9.565 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.854 11.153 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.292 11.746 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.493 11.070 -0.851 1.00 0.00 H new ATOM 1706 N ASP A 110 11.873 8.197 -0.687 1.00 0.00 N ATOM 1707 CA ASP A 110 12.886 7.186 -0.391 1.00 0.00 C ATOM 1708 C ASP A 110 12.346 5.780 -0.637 1.00 0.00 C ATOM 1709 O ASP A 110 13.006 4.785 -0.334 1.00 0.00 O ATOM 1710 CB ASP A 110 13.346 7.317 1.064 1.00 0.00 C ATOM 1711 CG ASP A 110 12.226 7.074 2.062 1.00 0.00 C ATOM 1712 OD1 ASP A 110 11.186 7.763 1.975 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 12.380 6.193 2.936 1.00 0.00 O ATOM 0 H ASP A 110 11.449 8.613 0.142 1.00 0.00 H new ATOM 0 HA ASP A 110 13.734 7.349 -1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.152 6.607 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.756 8.314 1.222 1.00 0.00 H new ATOM 1718 N ALA A 111 11.140 5.709 -1.177 1.00 0.00 N ATOM 1719 CA ALA A 111 10.504 4.438 -1.467 1.00 0.00 C ATOM 1720 C ALA A 111 10.340 4.227 -2.967 1.00 0.00 C ATOM 1721 O ALA A 111 10.262 3.094 -3.437 1.00 0.00 O ATOM 1722 CB ALA A 111 9.149 4.369 -0.785 1.00 0.00 C ATOM 0 H ALA A 111 10.580 6.525 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 111 11.147 3.646 -1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.678 3.412 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.279 4.468 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.516 5.178 -1.150 1.00 0.00 H new ATOM 1728 N TYR A 112 10.290 5.318 -3.723 1.00 0.00 N ATOM 1729 CA TYR A 112 10.012 5.222 -5.147 1.00 0.00 C ATOM 1730 C TYR A 112 11.077 5.853 -6.008 1.00 0.00 C ATOM 1731 O TYR A 112 10.827 6.207 -7.161 1.00 0.00 O ATOM 1732 CB TYR A 112 8.634 5.738 -5.513 1.00 0.00 C ATOM 1733 CG TYR A 112 8.284 7.147 -5.106 1.00 0.00 C ATOM 1734 CD1 TYR A 112 9.148 8.218 -5.295 1.00 0.00 C ATOM 1735 CD2 TYR A 112 7.039 7.400 -4.557 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.780 9.498 -4.934 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.659 8.670 -4.201 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.533 9.721 -4.391 1.00 0.00 C ATOM 1739 OH TYR A 112 7.164 10.998 -4.043 1.00 0.00 O ATOM 0 H TYR A 112 10.437 6.266 -3.378 1.00 0.00 H new ATOM 0 HA TYR A 112 10.027 4.154 -5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.524 5.664 -6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.896 5.068 -5.071 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.121 8.047 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.352 6.581 -4.405 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.465 10.321 -5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.682 8.846 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 112 6.595 11.377 -4.745 1.00 0.00 H new ATOM 1749 N VAL A 113 12.247 6.023 -5.445 1.00 0.00 N ATOM 1750 CA VAL A 113 13.383 6.471 -6.236 1.00 0.00 C ATOM 1751 C VAL A 113 13.779 5.342 -7.181 1.00 0.00 C ATOM 1752 O VAL A 113 14.610 4.489 -6.872 1.00 0.00 O ATOM 1753 CB VAL A 113 14.598 6.890 -5.370 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.422 8.309 -4.852 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.808 5.923 -4.208 1.00 0.00 C ATOM 0 H VAL A 113 12.444 5.863 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 113 13.082 7.361 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 113 15.485 6.856 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.285 8.585 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.335 8.996 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.519 8.365 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.667 6.243 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.919 5.913 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 113 14.988 4.921 -4.597 1.00 0.00 H new ATOM 1765 N ASN A 114 13.144 5.389 -8.349 1.00 0.00 N ATOM 1766 CA ASN A 114 13.153 4.319 -9.345 1.00 0.00 C ATOM 1767 C ASN A 114 11.991 4.571 -10.297 1.00 0.00 C ATOM 1768 O ASN A 114 11.996 4.137 -11.449 1.00 0.00 O ATOM 1769 CB ASN A 114 12.984 2.922 -8.702 1.00 0.00 C ATOM 1770 CG ASN A 114 11.537 2.574 -8.350 1.00 0.00 C ATOM 1771 OD1 ASN A 114 10.798 2.028 -9.169 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.125 2.869 -7.127 1.00 0.00 N ATOM 0 H ASN A 114 12.592 6.197 -8.638 1.00 0.00 H new ATOM 0 HA ASN A 114 14.113 4.325 -9.861 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.373 2.168 -9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.590 2.873 -7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.172 2.644 -6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.761 3.322 -6.470 1.00 0.00 H new ATOM 1779 N GLY A 115 10.991 5.278 -9.776 1.00 0.00 N ATOM 1780 CA GLY A 115 9.802 5.602 -10.531 1.00 0.00 C ATOM 1781 C GLY A 115 8.690 6.082 -9.619 1.00 0.00 C ATOM 1782 O GLY A 115 8.507 7.283 -9.427 1.00 0.00 O ATOM 0 H GLY A 115 10.990 5.637 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.033 6.374 -11.265 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.469 4.724 -11.085 1.00 0.00 H new ATOM 1786 N THR A 116 7.956 5.141 -9.044 1.00 0.00 N ATOM 1787 CA THR A 116 6.835 5.439 -8.169 1.00 0.00 C ATOM 1788 C THR A 116 6.547 4.199 -7.319 1.00 0.00 C ATOM 1789 O THR A 116 7.174 3.159 -7.530 1.00 0.00 O ATOM 1790 CB THR A 116 5.579 5.840 -8.975 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.956 6.373 -10.253 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.786 6.898 -8.229 1.00 0.00 C ATOM 0 H THR A 116 8.124 4.143 -9.173 1.00 0.00 H new ATOM 0 HA THR A 116 7.092 6.285 -7.532 1.00 0.00 H new ATOM 0 HB THR A 116 4.968 4.947 -9.110 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.151 6.622 -10.754 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.905 7.169 -8.810 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.475 6.505 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.408 7.781 -8.079 1.00 0.00 H new ATOM 1800 N VAL A 117 5.629 4.292 -6.360 1.00 0.00 N ATOM 1801 CA VAL A 117 5.349 3.155 -5.495 1.00 0.00 C ATOM 1802 C VAL A 117 4.058 2.470 -5.906 1.00 0.00 C ATOM 1803 O VAL A 117 2.968 3.024 -5.780 1.00 0.00 O ATOM 1804 CB VAL A 117 5.254 3.537 -3.984 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.580 4.045 -3.458 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.156 4.563 -3.709 1.00 0.00 C ATOM 0 H VAL A 117 5.077 5.127 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 117 6.195 2.479 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 117 4.992 2.621 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.479 4.302 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.338 3.270 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.879 4.930 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.132 4.794 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.359 5.473 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.192 4.155 -4.013 1.00 0.00 H new ATOM 1816 N GLU A 118 4.196 1.279 -6.455 1.00 0.00 N ATOM 1817 CA GLU A 118 3.057 0.411 -6.632 1.00 0.00 C ATOM 1818 C GLU A 118 3.192 -0.727 -5.645 1.00 0.00 C ATOM 1819 O GLU A 118 4.092 -1.559 -5.761 1.00 0.00 O ATOM 1820 CB GLU A 118 2.971 -0.132 -8.061 1.00 0.00 C ATOM 1821 CG GLU A 118 1.680 -0.891 -8.326 1.00 0.00 C ATOM 1822 CD GLU A 118 1.655 -1.578 -9.675 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.154 -2.719 -9.781 1.00 0.00 O ATOM 1824 OE2 GLU A 118 1.126 -0.985 -10.635 1.00 0.00 O1- ATOM 0 H GLU A 118 5.082 0.895 -6.783 1.00 0.00 H new ATOM 0 HA GLU A 118 2.141 0.974 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.051 0.696 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.819 -0.791 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.538 -1.637 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.840 -0.199 -8.263 1.00 0.00 H new ATOM 1831 N LEU A 119 2.314 -0.760 -4.665 1.00 0.00 N ATOM 1832 CA LEU A 119 2.417 -1.742 -3.611 1.00 0.00 C ATOM 1833 C LEU A 119 1.051 -2.343 -3.339 1.00 0.00 C ATOM 1834 O LEU A 119 0.026 -1.729 -3.630 1.00 0.00 O ATOM 1835 CB LEU A 119 3.026 -1.107 -2.347 1.00 0.00 C ATOM 1836 CG LEU A 119 2.121 -0.155 -1.561 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.455 -0.899 -0.421 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.912 1.036 -1.038 1.00 0.00 C ATOM 0 H LEU A 119 1.524 -0.120 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 119 3.083 -2.546 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.340 -1.909 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.925 -0.563 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 119 1.349 0.225 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.813 -0.215 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.855 -1.716 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.218 -1.302 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.248 1.698 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.707 0.684 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.349 1.579 -1.876 1.00 0.00 H new ATOM 1850 N THR A 120 1.046 -3.548 -2.808 1.00 0.00 N ATOM 1851 CA THR A 120 -0.184 -4.276 -2.591 1.00 0.00 C ATOM 1852 C THR A 120 -0.689 -4.103 -1.165 1.00 0.00 C ATOM 1853 O THR A 120 -0.005 -4.463 -0.209 1.00 0.00 O ATOM 1854 CB THR A 120 0.019 -5.772 -2.875 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.439 -5.960 -4.234 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.260 -6.543 -2.619 1.00 0.00 C ATOM 0 H THR A 120 1.887 -4.046 -2.517 1.00 0.00 H new ATOM 0 HA THR A 120 -0.927 -3.869 -3.277 1.00 0.00 H new ATOM 0 HB THR A 120 0.791 -6.149 -2.205 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.568 -6.916 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.095 -7.600 -2.826 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.557 -6.419 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.049 -6.165 -3.269 1.00 0.00 H new ATOM 1864 N LEU A 121 -1.885 -3.550 -1.036 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.538 -3.421 0.256 1.00 0.00 C ATOM 1866 C LEU A 121 -3.915 -4.061 0.221 1.00 0.00 C ATOM 1867 O LEU A 121 -4.753 -3.708 -0.604 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.665 -1.949 0.657 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.358 -1.285 1.081 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.586 0.159 1.498 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.712 -2.080 2.203 1.00 0.00 C ATOM 0 H LEU A 121 -2.426 -3.181 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.923 -3.934 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.083 -1.393 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.378 -1.871 1.477 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.682 -1.275 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.637 0.606 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.004 0.718 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.280 0.190 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.220 -1.599 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.388 -2.119 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.504 -3.093 1.858 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.169 -5.026 1.106 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.483 -5.636 1.221 1.00 0.00 C ATOM 1885 C PRO A 122 -6.469 -4.678 1.873 1.00 0.00 C ATOM 1886 O PRO A 122 -6.277 -4.261 3.016 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.253 -6.863 2.118 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.772 -6.983 2.278 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.212 -5.607 2.053 1.00 0.00 C ATOM 0 HA PRO A 122 -5.905 -5.897 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.741 -6.737 3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.671 -7.762 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.517 -7.349 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.359 -7.693 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.159 -5.034 2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.203 -5.642 1.641 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.524 -4.333 1.153 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.535 -3.438 1.683 1.00 0.00 C ATOM 1899 C ILE A 123 -9.623 -4.275 2.351 1.00 0.00 C ATOM 1900 O ILE A 123 -10.430 -4.941 1.691 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.133 -2.499 0.589 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.951 -3.276 -0.438 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.019 -1.739 -0.126 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.710 -2.388 -1.400 1.00 0.00 C ATOM 0 H ILE A 123 -7.701 -4.659 0.203 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.069 -2.780 2.417 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.795 -1.796 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.285 -3.927 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.658 -3.921 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.452 -1.089 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.468 -1.137 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.340 -2.448 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.269 -3.006 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.401 -1.755 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.007 -1.762 -1.949 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.612 -4.312 3.668 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.552 -5.162 4.365 1.00 0.00 C ATOM 1918 C ASP A 124 -11.770 -4.383 4.831 1.00 0.00 C ATOM 1919 O ASP A 124 -11.670 -3.350 5.499 1.00 0.00 O ATOM 1920 CB ASP A 124 -9.888 -5.868 5.555 1.00 0.00 C ATOM 1921 CG ASP A 124 -9.505 -4.923 6.680 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -8.554 -4.134 6.505 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -10.146 -4.974 7.754 1.00 0.00 O ATOM 0 H ASP A 124 -8.979 -3.778 4.264 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.884 -5.920 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.568 -6.627 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.995 -6.388 5.207 1.00 0.00 H new ATOM 1928 N PHE A 125 -12.915 -4.871 4.411 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.184 -4.512 5.000 1.00 0.00 C ATOM 1930 C PHE A 125 -14.723 -5.758 5.669 1.00 0.00 C ATOM 1931 O PHE A 125 -14.645 -6.834 5.083 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.162 -4.016 3.932 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.713 -2.781 3.202 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -13.848 -2.871 2.124 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.163 -1.531 3.593 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.439 -1.738 1.449 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -14.759 -0.396 2.921 1.00 0.00 C ATOM 1938 CZ PHE A 125 -13.896 -0.498 1.849 1.00 0.00 C ATOM 0 H PHE A 125 -12.992 -5.536 3.642 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.058 -3.702 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.323 -4.813 3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.124 -3.815 4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.489 -3.839 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -15.837 -1.444 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.763 -1.821 0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.118 0.573 3.234 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.579 0.391 1.324 1.00 0.00 H new ATOM 1948 N SER A 126 -15.235 -5.634 6.881 1.00 0.00 N ATOM 1949 CA SER A 126 -15.729 -6.796 7.603 1.00 0.00 C ATOM 1950 C SER A 126 -16.835 -7.486 6.803 1.00 0.00 C ATOM 1951 O SER A 126 -17.969 -7.017 6.768 1.00 0.00 O ATOM 1952 CB SER A 126 -16.238 -6.367 8.978 1.00 0.00 C ATOM 1953 OG SER A 126 -15.243 -5.616 9.669 1.00 0.00 O ATOM 0 H SER A 126 -15.320 -4.750 7.383 1.00 0.00 H new ATOM 0 HA SER A 126 -14.916 -7.509 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.142 -5.768 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.509 -7.246 9.562 1.00 0.00 H new ATOM 0 HG SER A 126 -15.586 -5.348 10.547 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.481 -8.597 6.163 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.384 -9.305 5.263 1.00 0.00 C ATOM 1961 C LEU A 127 -18.248 -10.284 6.050 1.00 0.00 C ATOM 1962 O LEU A 127 -17.957 -11.480 6.108 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.571 -10.049 4.189 1.00 0.00 C ATOM 1964 CG LEU A 127 -17.208 -10.127 2.794 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.256 -10.778 1.810 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.517 -10.891 2.819 1.00 0.00 C ATOM 0 H LEU A 127 -15.562 -9.030 6.254 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.038 -8.584 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.600 -9.563 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.387 -11.065 4.540 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.415 -9.106 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.725 -10.825 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.340 -10.191 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -16.018 -11.787 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.938 -10.925 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.339 -11.907 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.217 -10.391 3.489 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.305 -9.770 6.659 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.205 -10.586 7.454 1.00 0.00 C ATOM 1980 C ARG A 128 -21.009 -11.543 6.578 1.00 0.00 C ATOM 1981 O ARG A 128 -21.013 -12.752 6.809 1.00 0.00 O ATOM 1982 CB ARG A 128 -21.142 -9.684 8.251 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.470 -8.971 9.413 1.00 0.00 C ATOM 1984 CD ARG A 128 -21.416 -7.982 10.077 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.690 -8.599 10.444 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.654 -7.970 11.113 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -23.465 -6.726 11.546 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.796 -8.594 11.371 1.00 0.00 N ATOM 0 H ARG A 128 -19.561 -8.783 6.616 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.609 -11.188 8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.572 -8.940 7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.968 -10.283 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.133 -9.704 10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.584 -8.446 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.943 -7.571 10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.600 -7.147 9.401 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.850 -9.569 10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -22.580 -6.252 11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -24.205 -6.246 12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.935 -9.554 11.057 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -25.535 -8.113 11.883 1.00 0.00 H new