USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=16 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= 0.00156 X(o=-1.4,f=-1.4) USER MOD Set 1.2: A 84 SER OG : rot -34:sc= -1.43! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 31:sc= 0.639 USER MOD Single : A 46 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.6!) 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+ -128:sc= 1.01 (180deg=-0.474) USER MOD Single : A 59 LYS NZ :NH3+ -109:sc= 0.654 (180deg=-0.0782) USER MOD Single : A 61 GLN : amide:sc= 0.919 K(o=0.92,f=-5.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 73 GLN : amide:sc= 0.87 K(o=0.87,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0455 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -3.74! C(o=-3.7!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -12:sc= 1.02 USER MOD Single : A 106 THR OG1 : rot 153:sc= 0.425 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.016 USER MOD Single : A 114 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.46) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 0.403 1.447 7.287 1.00 0.00 N ATOM 508 CA TRP A 37 0.077 2.872 7.249 1.00 0.00 C ATOM 509 C TRP A 37 -1.417 3.059 7.035 1.00 0.00 C ATOM 510 O TRP A 37 -1.872 4.146 6.687 1.00 0.00 O ATOM 511 CB TRP A 37 0.817 3.578 6.108 1.00 0.00 C ATOM 512 CG TRP A 37 2.181 3.035 5.829 1.00 0.00 C ATOM 513 CD1 TRP A 37 3.267 3.072 6.650 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.606 2.391 4.624 1.00 0.00 C ATOM 515 NE1 TRP A 37 4.342 2.478 6.033 1.00 0.00 N ATOM 516 CE2 TRP A 37 3.960 2.054 4.787 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.966 2.067 3.423 1.00 0.00 C ATOM 518 CZ2 TRP A 37 4.689 1.402 3.791 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.690 1.425 2.438 1.00 0.00 C ATOM 520 CH2 TRP A 37 4.036 1.099 2.625 1.00 0.00 C ATOM 0 HA TRP A 37 0.383 3.305 8.201 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.217 3.504 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.903 4.638 6.348 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.281 3.504 7.640 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.272 2.370 6.437 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.926 2.314 3.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.728 1.146 3.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.207 1.170 1.506 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.573 0.597 1.834 1.00 0.00 H new ATOM 531 N ARG A 38 -2.178 2.003 7.266 1.00 0.00 N ATOM 532 CA ARG A 38 -3.579 1.970 6.866 1.00 0.00 C ATOM 533 C ARG A 38 -4.431 2.943 7.671 1.00 0.00 C ATOM 534 O ARG A 38 -5.410 3.472 7.160 1.00 0.00 O ATOM 535 CB ARG A 38 -4.137 0.539 6.935 1.00 0.00 C ATOM 536 CG ARG A 38 -3.991 -0.165 8.282 1.00 0.00 C ATOM 537 CD ARG A 38 -5.108 0.205 9.245 1.00 0.00 C ATOM 538 NE ARG A 38 -5.162 -0.688 10.400 1.00 0.00 N ATOM 539 CZ ARG A 38 -6.056 -0.579 11.378 1.00 0.00 C ATOM 540 NH1 ARG A 38 -6.888 0.456 11.410 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -6.104 -1.492 12.340 1.00 0.00 N ATOM 0 H ARG A 38 -1.851 1.155 7.729 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.627 2.300 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.195 0.568 6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.638 -0.063 6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.988 -1.244 8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.030 0.096 8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.965 1.230 9.587 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.063 0.174 8.720 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.474 -1.439 10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.842 1.170 10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.573 0.537 12.162 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.455 -2.278 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.790 -1.407 13.090 1.00 0.00 H new ATOM 555 N SER A 39 -4.060 3.185 8.920 1.00 0.00 N ATOM 556 CA SER A 39 -4.770 4.158 9.736 1.00 0.00 C ATOM 557 C SER A 39 -4.513 5.564 9.205 1.00 0.00 C ATOM 558 O SER A 39 -5.388 6.429 9.247 1.00 0.00 O ATOM 559 CB SER A 39 -4.342 4.039 11.198 1.00 0.00 C ATOM 560 OG SER A 39 -4.543 2.718 11.671 1.00 0.00 O ATOM 0 H SER A 39 -3.278 2.725 9.387 1.00 0.00 H new ATOM 0 HA SER A 39 -5.840 3.958 9.682 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.291 4.311 11.298 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.912 4.740 11.808 1.00 0.00 H new ATOM 0 HG SER A 39 -4.262 2.660 12.608 1.00 0.00 H new ATOM 566 N ARG A 40 -3.320 5.770 8.660 1.00 0.00 N ATOM 567 CA ARG A 40 -2.959 7.036 8.079 1.00 0.00 C ATOM 568 C ARG A 40 -3.634 7.191 6.723 1.00 0.00 C ATOM 569 O ARG A 40 -4.178 8.247 6.397 1.00 0.00 O ATOM 570 CB ARG A 40 -1.447 7.096 7.923 1.00 0.00 C ATOM 571 CG ARG A 40 -0.683 6.822 9.205 1.00 0.00 C ATOM 572 CD ARG A 40 -0.915 7.914 10.235 1.00 0.00 C ATOM 573 NE ARG A 40 -0.168 7.666 11.464 1.00 0.00 N ATOM 574 CZ ARG A 40 0.499 8.600 12.137 1.00 0.00 C ATOM 575 NH1 ARG A 40 0.561 9.846 11.680 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 1.114 8.285 13.267 1.00 0.00 N ATOM 0 H ARG A 40 -2.587 5.062 8.613 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.289 7.848 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.141 6.372 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.169 8.082 7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.992 5.861 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.382 6.747 8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.619 8.876 9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.979 7.979 10.463 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.157 6.714 11.831 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.095 10.093 10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.075 10.556 12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.076 7.328 13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.626 8.999 13.785 1.00 0.00 H new ATOM 590 N ILE A 41 -3.587 6.119 5.938 1.00 0.00 N ATOM 591 CA ILE A 41 -4.236 6.075 4.636 1.00 0.00 C ATOM 592 C ILE A 41 -5.733 6.327 4.792 1.00 0.00 C ATOM 593 O ILE A 41 -6.326 7.084 4.031 1.00 0.00 O ATOM 594 CB ILE A 41 -4.014 4.703 3.952 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.529 4.499 3.643 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.848 4.587 2.681 1.00 0.00 C ATOM 597 CD1 ILE A 41 -2.199 3.134 3.083 1.00 0.00 C ATOM 0 H ILE A 41 -3.099 5.259 6.188 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.795 6.852 4.011 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.338 3.921 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.209 5.260 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.954 4.655 4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.674 3.615 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.905 4.688 2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.562 5.375 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.128 3.069 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.486 2.367 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.745 2.981 2.152 1.00 0.00 H new ATOM 609 N SER A 42 -6.323 5.693 5.802 1.00 0.00 N ATOM 610 CA SER A 42 -7.743 5.841 6.098 1.00 0.00 C ATOM 611 C SER A 42 -8.099 7.309 6.343 1.00 0.00 C ATOM 612 O SER A 42 -9.157 7.779 5.917 1.00 0.00 O ATOM 613 CB SER A 42 -8.107 4.991 7.321 1.00 0.00 C ATOM 614 OG SER A 42 -9.487 5.081 7.636 1.00 0.00 O ATOM 0 H SER A 42 -5.831 5.064 6.436 1.00 0.00 H new ATOM 0 HA SER A 42 -8.317 5.495 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.845 3.950 7.131 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.517 5.316 8.178 1.00 0.00 H new ATOM 0 HG SER A 42 -10.001 5.226 6.814 1.00 0.00 H new ATOM 620 N GLY A 43 -7.210 8.030 7.020 1.00 0.00 N ATOM 621 CA GLY A 43 -7.433 9.443 7.251 1.00 0.00 C ATOM 622 C GLY A 43 -7.425 10.234 5.958 1.00 0.00 C ATOM 623 O GLY A 43 -8.267 11.109 5.740 1.00 0.00 O ATOM 0 H GLY A 43 -6.343 7.661 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.389 9.582 7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.661 9.828 7.917 1.00 0.00 H new ATOM 627 N ARG A 44 -6.484 9.907 5.084 1.00 0.00 N ATOM 628 CA ARG A 44 -6.373 10.552 3.795 1.00 0.00 C ATOM 629 C ARG A 44 -7.541 10.161 2.893 1.00 0.00 C ATOM 630 O ARG A 44 -7.997 10.953 2.080 1.00 0.00 O ATOM 631 CB ARG A 44 -5.053 10.169 3.141 1.00 0.00 C ATOM 632 CG ARG A 44 -3.901 11.127 3.406 1.00 0.00 C ATOM 633 CD ARG A 44 -3.235 10.879 4.752 1.00 0.00 C ATOM 634 NE ARG A 44 -4.031 11.356 5.884 1.00 0.00 N ATOM 635 CZ ARG A 44 -3.513 12.009 6.928 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.233 12.354 6.930 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -4.274 12.341 7.960 1.00 0.00 N ATOM 0 H ARG A 44 -5.780 9.188 5.253 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.402 11.632 3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.767 9.176 3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.206 10.098 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.160 11.027 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.270 12.152 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.052 9.811 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.263 11.372 4.766 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.036 11.180 5.875 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.641 12.121 6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.840 12.853 7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.265 12.098 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.869 12.840 8.753 1.00 0.00 H new ATOM 651 N LEU A 45 -8.010 8.931 3.039 1.00 0.00 N ATOM 652 CA LEU A 45 -9.147 8.431 2.266 1.00 0.00 C ATOM 653 C LEU A 45 -10.395 9.258 2.584 1.00 0.00 C ATOM 654 O LEU A 45 -11.248 9.483 1.730 1.00 0.00 O ATOM 655 CB LEU A 45 -9.373 6.953 2.612 1.00 0.00 C ATOM 656 CG LEU A 45 -9.972 6.076 1.505 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.628 4.616 1.757 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.481 6.239 1.424 1.00 0.00 C ATOM 0 H LEU A 45 -7.619 8.251 3.691 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.941 8.521 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.417 6.522 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.030 6.902 3.481 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.544 6.396 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.057 4.000 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.545 4.494 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.035 4.307 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.873 5.604 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.930 5.950 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.724 7.280 1.210 1.00 0.00 H new ATOM 670 N ASN A 46 -10.457 9.731 3.820 1.00 0.00 N ATOM 671 CA ASN A 46 -11.571 10.543 4.306 1.00 0.00 C ATOM 672 C ASN A 46 -11.514 11.921 3.678 1.00 0.00 C ATOM 673 O ASN A 46 -12.542 12.547 3.412 1.00 0.00 O ATOM 674 CB ASN A 46 -11.526 10.657 5.834 1.00 0.00 C ATOM 675 CG ASN A 46 -12.672 11.483 6.393 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.755 10.960 6.659 1.00 0.00 O ATOM 677 ND2 ASN A 46 -12.439 12.771 6.599 1.00 0.00 N ATOM 0 H ASN A 46 -9.734 9.563 4.520 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.507 10.060 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.556 9.658 6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.579 11.107 6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.170 13.365 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.529 13.168 6.366 1.00 0.00 H new ATOM 684 N ARG A 47 -10.291 12.387 3.460 1.00 0.00 N ATOM 685 CA ARG A 47 -10.044 13.618 2.743 1.00 0.00 C ATOM 686 C ARG A 47 -10.705 13.583 1.369 1.00 0.00 C ATOM 687 O ARG A 47 -11.097 14.621 0.833 1.00 0.00 O ATOM 688 CB ARG A 47 -8.532 13.822 2.619 1.00 0.00 C ATOM 689 CG ARG A 47 -8.031 14.043 1.197 1.00 0.00 C ATOM 690 CD ARG A 47 -6.527 14.274 1.179 1.00 0.00 C ATOM 691 NE ARG A 47 -6.015 14.535 -0.165 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.746 14.851 -0.426 1.00 0.00 C ATOM 693 NH1 ARG A 47 -3.872 14.977 0.566 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.349 15.049 -1.678 1.00 0.00 N ATOM 0 H ARG A 47 -9.444 11.916 3.779 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.477 14.455 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.244 14.679 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.027 12.951 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.277 13.177 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.540 14.901 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.285 15.117 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.024 13.400 1.592 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.666 14.472 -0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.171 14.832 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.902 15.219 0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.016 14.960 -2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.377 15.291 -1.873 1.00 0.00 H new ATOM 708 N PHE A 48 -10.832 12.390 0.799 1.00 0.00 N ATOM 709 CA PHE A 48 -11.469 12.265 -0.492 1.00 0.00 C ATOM 710 C PHE A 48 -12.950 11.931 -0.335 1.00 0.00 C ATOM 711 O PHE A 48 -13.814 12.707 -0.743 1.00 0.00 O ATOM 712 CB PHE A 48 -10.789 11.189 -1.342 1.00 0.00 C ATOM 713 CG PHE A 48 -9.362 11.487 -1.706 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.065 12.308 -2.782 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.318 10.932 -0.985 1.00 0.00 C ATOM 716 CE1 PHE A 48 -7.754 12.574 -3.129 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.004 11.195 -1.327 1.00 0.00 C ATOM 718 CZ PHE A 48 -6.722 12.016 -2.400 1.00 0.00 C ATOM 0 H PHE A 48 -10.506 11.514 1.207 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.371 13.225 -0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.822 10.243 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.363 11.053 -2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.868 12.745 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.532 10.286 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.537 13.217 -3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.199 10.758 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.696 12.222 -2.669 1.00 0.00 H new ATOM 728 N LYS A 49 -13.217 10.807 0.320 1.00 0.00 N ATOM 729 CA LYS A 49 -14.569 10.289 0.521 1.00 0.00 C ATOM 730 C LYS A 49 -14.514 9.063 1.415 1.00 0.00 C ATOM 731 O LYS A 49 -14.116 7.992 0.970 1.00 0.00 O ATOM 732 CB LYS A 49 -15.227 9.892 -0.812 1.00 0.00 C ATOM 733 CG LYS A 49 -16.090 10.980 -1.430 1.00 0.00 C ATOM 734 CD LYS A 49 -17.285 11.299 -0.549 1.00 0.00 C ATOM 735 CE LYS A 49 -18.083 12.476 -1.086 1.00 0.00 C ATOM 736 NZ LYS A 49 -19.231 12.804 -0.204 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.492 10.220 0.733 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.162 11.079 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.447 9.616 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.840 9.005 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.494 11.880 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.435 10.660 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.930 10.423 -0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.943 11.523 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.433 13.346 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.447 12.244 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.753 13.611 -0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.864 11.981 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.881 13.050 0.744 1.00 0.00 H new ATOM 750 N ARG A 50 -14.894 9.209 2.670 1.00 0.00 N ATOM 751 CA ARG A 50 -14.919 8.065 3.561 1.00 0.00 C ATOM 752 C ARG A 50 -16.268 7.955 4.246 1.00 0.00 C ATOM 753 O ARG A 50 -16.579 8.710 5.165 1.00 0.00 O ATOM 754 CB ARG A 50 -13.806 8.155 4.600 1.00 0.00 C ATOM 755 CG ARG A 50 -13.505 6.831 5.276 1.00 0.00 C ATOM 756 CD ARG A 50 -12.414 6.969 6.319 1.00 0.00 C ATOM 757 NE ARG A 50 -12.871 7.692 7.506 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.279 7.607 8.696 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.167 6.902 8.838 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.785 8.241 9.745 1.00 0.00 N ATOM 0 H ARG A 50 -15.185 10.092 3.090 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.755 7.169 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.900 8.524 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.085 8.887 5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.411 6.448 5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.201 6.100 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.066 5.978 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.562 7.491 5.884 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.689 8.295 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.761 6.422 8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.716 6.839 9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.633 8.798 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.326 8.171 10.653 1.00 0.00 H new ATOM 774 N TYR A 51 -17.068 7.016 3.778 1.00 0.00 N ATOM 775 CA TYR A 51 -18.367 6.756 4.366 1.00 0.00 C ATOM 776 C TYR A 51 -18.197 5.878 5.600 1.00 0.00 C ATOM 777 O TYR A 51 -17.394 4.945 5.578 1.00 0.00 O ATOM 778 CB TYR A 51 -19.258 6.053 3.340 1.00 0.00 C ATOM 779 CG TYR A 51 -20.724 6.381 3.493 1.00 0.00 C ATOM 780 CD1 TYR A 51 -21.221 7.608 3.072 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.609 5.476 4.057 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.557 7.922 3.212 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.949 5.783 4.201 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.417 7.008 3.774 1.00 0.00 C ATOM 785 OH TYR A 51 -24.749 7.320 3.913 1.00 0.00 O ATOM 0 H TYR A 51 -16.838 6.416 2.986 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.834 7.696 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.934 6.331 2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.123 4.975 3.431 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.550 8.328 2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.246 4.515 4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.926 8.882 2.882 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -23.625 5.068 4.645 1.00 0.00 H new ATOM 0 HH TYR A 51 -25.220 6.567 4.327 1.00 0.00 H new ATOM 795 N PRO A 52 -18.930 6.176 6.689 1.00 0.00 N ATOM 796 CA PRO A 52 -18.872 5.398 7.933 1.00 0.00 C ATOM 797 C PRO A 52 -19.029 3.901 7.678 1.00 0.00 C ATOM 798 O PRO A 52 -19.956 3.471 6.987 1.00 0.00 O ATOM 799 CB PRO A 52 -20.056 5.931 8.758 1.00 0.00 C ATOM 800 CG PRO A 52 -20.838 6.810 7.834 1.00 0.00 C ATOM 801 CD PRO A 52 -19.868 7.299 6.803 1.00 0.00 C ATOM 0 HA PRO A 52 -17.911 5.508 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.671 5.113 9.132 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.707 6.490 9.626 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.655 6.258 7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.285 7.644 8.375 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.359 7.515 5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.368 8.215 7.119 1.00 0.00 H new ATOM 809 N LYS A 53 -18.134 3.111 8.269 1.00 0.00 N ATOM 810 CA LYS A 53 -18.025 1.684 7.963 1.00 0.00 C ATOM 811 C LYS A 53 -19.275 0.905 8.348 1.00 0.00 C ATOM 812 O LYS A 53 -19.529 -0.160 7.790 1.00 0.00 O ATOM 813 CB LYS A 53 -16.802 1.072 8.653 1.00 0.00 C ATOM 814 CG LYS A 53 -15.459 1.565 8.121 1.00 0.00 C ATOM 815 CD LYS A 53 -15.250 1.209 6.651 1.00 0.00 C ATOM 816 CE LYS A 53 -15.848 2.261 5.728 1.00 0.00 C ATOM 817 NZ LYS A 53 -15.132 3.555 5.837 1.00 0.00 N1+ ATOM 0 H LYS A 53 -17.468 3.438 8.969 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.910 1.608 6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.857 1.289 9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.845 -0.012 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.398 2.646 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.654 1.132 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.184 1.110 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.705 0.241 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.807 1.908 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.900 2.405 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.817 4.317 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.453 3.511 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.623 3.746 4.950 1.00 0.00 H new ATOM 831 N ASP A 54 -20.051 1.425 9.291 1.00 0.00 N ATOM 832 CA ASP A 54 -21.261 0.739 9.737 1.00 0.00 C ATOM 833 C ASP A 54 -22.225 0.517 8.576 1.00 0.00 C ATOM 834 O ASP A 54 -22.848 -0.539 8.471 1.00 0.00 O ATOM 835 CB ASP A 54 -21.962 1.520 10.844 1.00 0.00 C ATOM 836 CG ASP A 54 -23.156 0.768 11.394 1.00 0.00 C ATOM 837 OD1 ASP A 54 -22.955 -0.303 12.002 1.00 0.00 O ATOM 838 OD2 ASP A 54 -24.299 1.241 11.225 1.00 0.00 O1- ATOM 0 H ASP A 54 -19.868 2.312 9.760 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.956 -0.230 10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.256 1.721 11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.287 2.486 10.457 1.00 0.00 H new ATOM 843 N ALA A 55 -22.317 1.503 7.691 1.00 0.00 N ATOM 844 CA ALA A 55 -23.185 1.402 6.526 1.00 0.00 C ATOM 845 C ALA A 55 -22.681 0.332 5.568 1.00 0.00 C ATOM 846 O ALA A 55 -23.461 -0.310 4.873 1.00 0.00 O ATOM 847 CB ALA A 55 -23.287 2.741 5.818 1.00 0.00 C ATOM 0 H ALA A 55 -21.801 2.380 7.759 1.00 0.00 H new ATOM 0 HA ALA A 55 -24.179 1.115 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.940 2.645 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.699 3.484 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.296 3.057 5.493 1.00 0.00 H new ATOM 853 N LEU A 56 -21.368 0.145 5.548 1.00 0.00 N ATOM 854 CA LEU A 56 -20.742 -0.861 4.701 1.00 0.00 C ATOM 855 C LEU A 56 -20.922 -2.249 5.320 1.00 0.00 C ATOM 856 O LEU A 56 -21.222 -3.209 4.625 1.00 0.00 O ATOM 857 CB LEU A 56 -19.239 -0.570 4.516 1.00 0.00 C ATOM 858 CG LEU A 56 -18.854 0.682 3.703 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.450 0.636 2.314 1.00 0.00 C ATOM 860 CD2 LEU A 56 -19.270 1.961 4.409 1.00 0.00 C ATOM 0 H LEU A 56 -20.711 0.682 6.114 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.224 -0.830 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.789 -0.481 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.785 -1.437 4.036 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.767 0.683 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.161 1.532 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.082 -0.246 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.537 0.589 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.981 2.821 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.351 1.963 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.777 2.018 5.379 1.00 0.00 H new ATOM 872 N ARG A 57 -20.762 -2.341 6.637 1.00 0.00 N ATOM 873 CA ARG A 57 -20.937 -3.612 7.347 1.00 0.00 C ATOM 874 C ARG A 57 -22.373 -4.107 7.210 1.00 0.00 C ATOM 875 O ARG A 57 -22.657 -5.297 7.349 1.00 0.00 O ATOM 876 CB ARG A 57 -20.597 -3.462 8.834 1.00 0.00 C ATOM 877 CG ARG A 57 -19.177 -2.995 9.104 1.00 0.00 C ATOM 878 CD ARG A 57 -18.894 -2.908 10.596 1.00 0.00 C ATOM 879 NE ARG A 57 -19.844 -2.035 11.292 1.00 0.00 N ATOM 880 CZ ARG A 57 -19.562 -1.363 12.408 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.363 -1.463 12.969 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -20.484 -0.595 12.970 1.00 0.00 N ATOM 0 H ARG A 57 -20.512 -1.555 7.236 1.00 0.00 H new ATOM 0 HA ARG A 57 -20.257 -4.337 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -21.292 -2.754 9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -20.753 -4.420 9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.472 -3.683 8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.020 -2.019 8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.936 -3.907 11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.881 -2.536 10.750 1.00 0.00 H new ATOM 0 HE ARG A 57 -20.779 -1.936 10.898 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.650 -2.057 12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.155 -0.946 13.823 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.410 -0.518 12.549 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.268 -0.081 13.824 1.00 0.00 H new ATOM 896 N LEU A 58 -23.273 -3.176 6.942 1.00 0.00 N ATOM 897 CA LEU A 58 -24.683 -3.488 6.803 1.00 0.00 C ATOM 898 C LEU A 58 -25.085 -3.533 5.329 1.00 0.00 C ATOM 899 O LEU A 58 -26.255 -3.723 4.999 1.00 0.00 O ATOM 900 CB LEU A 58 -25.510 -2.438 7.552 1.00 0.00 C ATOM 901 CG LEU A 58 -27.005 -2.736 7.684 1.00 0.00 C ATOM 902 CD1 LEU A 58 -27.233 -3.983 8.528 1.00 0.00 C ATOM 903 CD2 LEU A 58 -27.724 -1.540 8.287 1.00 0.00 C ATOM 0 H LEU A 58 -23.048 -2.189 6.816 1.00 0.00 H new ATOM 0 HA LEU A 58 -24.874 -4.472 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.093 -2.320 8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -25.393 -1.481 7.043 1.00 0.00 H new ATOM 0 HG LEU A 58 -27.412 -2.923 6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -28.303 -4.177 8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -26.744 -4.836 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -26.815 -3.830 9.523 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -28.787 -1.762 8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -27.313 -1.328 9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -27.588 -0.671 7.643 1.00 0.00 H new ATOM 915 N LYS A 59 -24.111 -3.373 4.438 1.00 0.00 N ATOM 916 CA LYS A 59 -24.400 -3.331 3.011 1.00 0.00 C ATOM 917 C LYS A 59 -23.241 -3.873 2.173 1.00 0.00 C ATOM 918 O LYS A 59 -23.307 -4.991 1.662 1.00 0.00 O ATOM 919 CB LYS A 59 -24.741 -1.899 2.583 1.00 0.00 C ATOM 920 CG LYS A 59 -24.935 -1.740 1.087 1.00 0.00 C ATOM 921 CD LYS A 59 -25.406 -0.344 0.720 1.00 0.00 C ATOM 922 CE LYS A 59 -24.342 0.697 1.022 1.00 0.00 C ATOM 923 NZ LYS A 59 -24.754 2.055 0.585 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.125 -3.271 4.677 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.260 -3.977 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.651 -1.583 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.944 -1.232 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.996 -1.952 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.662 -2.472 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -25.659 -0.311 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -26.315 -0.108 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.138 0.707 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.413 0.422 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.190 2.340 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -25.762 2.047 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.598 2.731 1.360 1.00 0.00 H new ATOM 937 N ARG A 60 -22.179 -3.088 2.037 1.00 0.00 N ATOM 938 CA ARG A 60 -21.066 -3.469 1.182 1.00 0.00 C ATOM 939 C ARG A 60 -19.939 -4.061 2.001 1.00 0.00 C ATOM 940 O ARG A 60 -18.993 -3.371 2.387 1.00 0.00 O ATOM 941 CB ARG A 60 -20.572 -2.273 0.365 1.00 0.00 C ATOM 942 CG ARG A 60 -21.610 -1.762 -0.615 1.00 0.00 C ATOM 943 CD ARG A 60 -22.085 -2.874 -1.538 1.00 0.00 C ATOM 944 NE ARG A 60 -23.265 -2.490 -2.306 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.150 -3.359 -2.792 1.00 0.00 C ATOM 946 NH1 ARG A 60 -23.980 -4.664 -2.604 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.205 -2.921 -3.457 1.00 0.00 N ATOM 0 H ARG A 60 -22.067 -2.189 2.506 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.419 -4.231 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.291 -1.467 1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.673 -2.558 -0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.459 -1.351 -0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.188 -0.950 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.281 -3.143 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.312 -3.762 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.421 -1.497 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.170 -5.003 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -24.660 -5.326 -2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.340 -1.920 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -25.884 -3.584 -3.830 1.00 0.00 H new ATOM 961 N GLN A 61 -20.065 -5.343 2.266 1.00 0.00 N ATOM 962 CA GLN A 61 -19.069 -6.086 3.007 1.00 0.00 C ATOM 963 C GLN A 61 -18.267 -6.966 2.060 1.00 0.00 C ATOM 964 O GLN A 61 -18.836 -7.733 1.286 1.00 0.00 O ATOM 965 CB GLN A 61 -19.748 -6.924 4.088 1.00 0.00 C ATOM 966 CG GLN A 61 -21.033 -7.597 3.628 1.00 0.00 C ATOM 967 CD GLN A 61 -21.633 -8.494 4.688 1.00 0.00 C ATOM 968 OE1 GLN A 61 -20.918 -9.104 5.482 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.954 -8.577 4.714 1.00 0.00 N ATOM 0 H GLN A 61 -20.866 -5.902 1.972 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.383 -5.391 3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.052 -7.689 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.969 -6.286 4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.759 -6.833 3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.830 -8.185 2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -23.511 -8.055 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.415 -9.163 5.410 1.00 0.00 H new ATOM 978 N GLY A 62 -16.950 -6.854 2.127 1.00 0.00 N ATOM 979 CA GLY A 62 -16.109 -7.546 1.181 1.00 0.00 C ATOM 980 C GLY A 62 -14.629 -7.313 1.413 1.00 0.00 C ATOM 981 O GLY A 62 -14.182 -6.174 1.546 1.00 0.00 O ATOM 0 H GLY A 62 -16.451 -6.296 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.315 -8.615 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.367 -7.224 0.172 1.00 0.00 H new ATOM 985 N VAL A 63 -13.870 -8.396 1.464 1.00 0.00 N ATOM 986 CA VAL A 63 -12.426 -8.320 1.616 1.00 0.00 C ATOM 987 C VAL A 63 -11.741 -8.625 0.293 1.00 0.00 C ATOM 988 O VAL A 63 -12.009 -9.648 -0.343 1.00 0.00 O ATOM 989 CB VAL A 63 -11.912 -9.301 2.688 1.00 0.00 C ATOM 990 CG1 VAL A 63 -10.395 -9.235 2.800 1.00 0.00 C ATOM 991 CG2 VAL A 63 -12.557 -9.009 4.032 1.00 0.00 C ATOM 0 H VAL A 63 -14.235 -9.347 1.402 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.187 -7.305 1.934 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.188 -10.311 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.056 -9.936 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.948 -9.497 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.094 -8.224 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.182 -9.712 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.314 -7.992 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.639 -9.114 3.947 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.868 -7.729 -0.120 1.00 0.00 N ATOM 1002 CA GLY A 64 -10.146 -7.911 -1.353 1.00 0.00 C ATOM 1003 C GLY A 64 -8.809 -7.222 -1.310 1.00 0.00 C ATOM 1004 O GLY A 64 -8.560 -6.404 -0.430 1.00 0.00 O ATOM 0 H GLY A 64 -10.645 -6.870 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.003 -8.975 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.734 -7.518 -2.183 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.950 -7.535 -2.255 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.647 -6.905 -2.313 1.00 0.00 C ATOM 1010 C GLN A 65 -6.663 -5.820 -3.370 1.00 0.00 C ATOM 1011 O GLN A 65 -7.209 -6.005 -4.459 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.553 -7.928 -2.623 1.00 0.00 C ATOM 1013 CG GLN A 65 -5.266 -8.885 -1.477 1.00 0.00 C ATOM 1014 CD GLN A 65 -4.215 -9.922 -1.830 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -4.533 -10.996 -2.336 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.957 -9.617 -1.555 1.00 0.00 N ATOM 0 H GLN A 65 -8.128 -8.218 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.427 -6.467 -1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.845 -8.504 -3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.636 -7.399 -2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.933 -8.316 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.188 -9.391 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.731 -8.715 -1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.213 -10.283 -1.763 1.00 0.00 H new ATOM 1025 N VAL A 66 -6.079 -4.691 -3.037 1.00 0.00 N ATOM 1026 CA VAL A 66 -6.086 -3.531 -3.901 1.00 0.00 C ATOM 1027 C VAL A 66 -4.663 -3.003 -4.059 1.00 0.00 C ATOM 1028 O VAL A 66 -4.043 -2.566 -3.091 1.00 0.00 O ATOM 1029 CB VAL A 66 -7.021 -2.454 -3.297 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.841 -1.094 -3.937 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.471 -2.890 -3.423 1.00 0.00 C ATOM 0 H VAL A 66 -5.584 -4.550 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.459 -3.799 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.749 -2.356 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.522 -0.381 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.813 -0.759 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.058 -1.162 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.119 -2.125 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.719 -3.029 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.616 -3.829 -2.889 1.00 0.00 H new ATOM 1041 N ARG A 67 -4.125 -3.081 -5.271 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.760 -2.638 -5.505 1.00 0.00 C ATOM 1043 C ARG A 67 -2.760 -1.447 -6.445 1.00 0.00 C ATOM 1044 O ARG A 67 -3.525 -1.405 -7.409 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.866 -3.775 -6.035 1.00 0.00 C ATOM 1046 CG ARG A 67 -2.110 -4.195 -7.473 1.00 0.00 C ATOM 1047 CD ARG A 67 -1.041 -5.185 -7.916 1.00 0.00 C ATOM 1048 NE ARG A 67 -1.345 -5.815 -9.199 1.00 0.00 N ATOM 1049 CZ ARG A 67 -0.481 -5.897 -10.210 1.00 0.00 C ATOM 1050 NH1 ARG A 67 0.717 -5.334 -10.118 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 -0.816 -6.546 -11.314 1.00 0.00 N ATOM 0 H ARG A 67 -4.607 -3.442 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.334 -2.331 -4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.825 -3.467 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.002 -4.646 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.097 -4.648 -7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.098 -3.320 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.083 -4.670 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.931 -5.957 -7.155 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.274 -6.216 -9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.982 -4.834 -9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.373 -5.401 -10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.735 -6.983 -11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.155 -6.609 -12.089 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.915 -0.479 -6.154 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.943 0.786 -6.858 1.00 0.00 C ATOM 1067 C PHE A 68 -0.588 1.470 -6.835 1.00 0.00 C ATOM 1068 O PHE A 68 0.285 1.118 -6.044 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.002 1.711 -6.241 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.125 1.629 -4.744 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.029 1.821 -3.915 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.353 1.354 -4.167 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.163 1.741 -2.541 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.490 1.272 -2.797 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.396 1.466 -1.983 1.00 0.00 C ATOM 0 H PHE A 68 -1.198 -0.545 -5.432 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.199 0.580 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.768 2.740 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.970 1.476 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.062 2.035 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.216 1.202 -4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.304 1.893 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.455 1.056 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.502 1.403 -0.910 1.00 0.00 H new ATOM 1085 N THR A 69 -0.424 2.438 -7.722 1.00 0.00 N ATOM 1086 CA THR A 69 0.751 3.289 -7.733 1.00 0.00 C ATOM 1087 C THR A 69 0.368 4.661 -7.215 1.00 0.00 C ATOM 1088 O THR A 69 -0.522 5.316 -7.763 1.00 0.00 O ATOM 1089 CB THR A 69 1.342 3.413 -9.146 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.270 2.147 -9.815 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.792 3.864 -9.072 1.00 0.00 C ATOM 0 H THR A 69 -1.102 2.654 -8.453 1.00 0.00 H new ATOM 0 HA THR A 69 1.511 2.841 -7.093 1.00 0.00 H new ATOM 0 HB THR A 69 0.766 4.153 -9.702 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.646 2.231 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.199 3.948 -10.080 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.847 4.833 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.372 3.134 -8.506 1.00 0.00 H new ATOM 1099 N LEU A 70 1.017 5.071 -6.147 1.00 0.00 N ATOM 1100 CA LEU A 70 0.656 6.293 -5.458 1.00 0.00 C ATOM 1101 C LEU A 70 1.661 7.398 -5.711 1.00 0.00 C ATOM 1102 O LEU A 70 2.873 7.163 -5.736 1.00 0.00 O ATOM 1103 CB LEU A 70 0.551 6.010 -3.968 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.491 4.954 -3.608 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.384 4.570 -2.141 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.887 5.462 -3.940 1.00 0.00 C ATOM 0 H LEU A 70 1.804 4.572 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.305 6.635 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.524 5.685 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.308 6.937 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.301 4.059 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.136 3.816 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.609 4.166 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.548 5.451 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.623 4.701 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.088 6.371 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.951 5.679 -5.006 1.00 0.00 H new ATOM 1118 N ASP A 71 1.139 8.597 -5.919 1.00 0.00 N ATOM 1119 CA ASP A 71 1.963 9.781 -6.086 1.00 0.00 C ATOM 1120 C ASP A 71 2.520 10.199 -4.734 1.00 0.00 C ATOM 1121 O ASP A 71 1.916 9.916 -3.703 1.00 0.00 O ATOM 1122 CB ASP A 71 1.129 10.923 -6.679 1.00 0.00 C ATOM 1123 CG ASP A 71 1.973 12.130 -7.035 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.565 12.145 -8.131 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 2.062 13.062 -6.212 1.00 0.00 O ATOM 0 H ASP A 71 0.136 8.775 -5.976 1.00 0.00 H new ATOM 0 HA ASP A 71 2.784 9.556 -6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.614 10.568 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.361 11.218 -5.964 1.00 0.00 H new ATOM 1130 N ARG A 72 3.659 10.877 -4.747 1.00 0.00 N ATOM 1131 CA ARG A 72 4.312 11.334 -3.520 1.00 0.00 C ATOM 1132 C ARG A 72 3.416 12.297 -2.738 1.00 0.00 C ATOM 1133 O ARG A 72 3.537 12.420 -1.519 1.00 0.00 O ATOM 1134 CB ARG A 72 5.660 11.979 -3.864 1.00 0.00 C ATOM 1135 CG ARG A 72 6.290 12.784 -2.739 1.00 0.00 C ATOM 1136 CD ARG A 72 7.792 12.937 -2.941 1.00 0.00 C ATOM 1137 NE ARG A 72 8.137 13.266 -4.325 1.00 0.00 N ATOM 1138 CZ ARG A 72 8.937 14.269 -4.678 1.00 0.00 C ATOM 1139 NH1 ARG A 72 9.467 15.062 -3.754 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 9.222 14.462 -5.961 1.00 0.00 N ATOM 0 H ARG A 72 4.157 11.127 -5.601 1.00 0.00 H new ATOM 0 HA ARG A 72 4.490 10.473 -2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.355 11.195 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.524 12.632 -4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.826 13.769 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.097 12.292 -1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.167 13.718 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.291 12.011 -2.655 1.00 0.00 H new ATOM 0 HE ARG A 72 7.739 12.690 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.262 14.904 -2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.080 15.829 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.828 13.843 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.835 15.229 -6.238 1.00 0.00 H new ATOM 1154 N GLN A 73 2.502 12.958 -3.437 1.00 0.00 N ATOM 1155 CA GLN A 73 1.545 13.850 -2.791 1.00 0.00 C ATOM 1156 C GLN A 73 0.394 13.051 -2.192 1.00 0.00 C ATOM 1157 O GLN A 73 -0.441 13.587 -1.463 1.00 0.00 O ATOM 1158 CB GLN A 73 0.997 14.862 -3.794 1.00 0.00 C ATOM 1159 CG GLN A 73 2.076 15.670 -4.491 1.00 0.00 C ATOM 1160 CD GLN A 73 1.543 16.429 -5.685 1.00 0.00 C ATOM 1161 OE1 GLN A 73 1.127 17.582 -5.571 1.00 0.00 O ATOM 1162 NE2 GLN A 73 1.521 15.771 -6.833 1.00 0.00 N ATOM 0 H GLN A 73 2.402 12.894 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 73 2.062 14.383 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.407 14.335 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.321 15.543 -3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.515 16.373 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.875 15.003 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.877 14.816 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.148 16.219 -7.670 1.00 0.00 H new ATOM 1171 N GLY A 74 0.363 11.765 -2.503 1.00 0.00 N ATOM 1172 CA GLY A 74 -0.691 10.901 -2.022 1.00 0.00 C ATOM 1173 C GLY A 74 -1.876 10.870 -2.956 1.00 0.00 C ATOM 1174 O GLY A 74 -3.020 10.778 -2.517 1.00 0.00 O ATOM 0 H GLY A 74 1.058 11.301 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.302 9.890 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.015 11.240 -1.038 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.601 10.945 -4.246 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.651 10.964 -5.247 1.00 0.00 C ATOM 1180 C HIS A 75 -2.673 9.654 -6.024 1.00 0.00 C ATOM 1181 O HIS A 75 -1.652 9.226 -6.562 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.444 12.148 -6.198 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.560 12.351 -7.178 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.741 12.983 -6.853 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.673 11.998 -8.482 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.530 13.009 -7.912 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -4.905 12.421 -8.912 1.00 0.00 N ATOM 0 H HIS A 75 -0.655 10.994 -4.625 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.612 11.078 -4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.324 13.057 -5.608 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.515 12.000 -6.748 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.931 11.480 -9.072 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.520 13.439 -7.952 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.277 12.300 -9.854 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.834 9.011 -6.033 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.064 7.801 -6.819 1.00 0.00 C ATOM 1198 C VAL A 76 -3.666 7.998 -8.285 1.00 0.00 C ATOM 1199 O VAL A 76 -4.115 8.935 -8.950 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.547 7.365 -6.732 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.478 8.482 -7.178 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.793 6.104 -7.544 1.00 0.00 C ATOM 0 H VAL A 76 -4.646 9.313 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.436 7.016 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.765 7.145 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.512 8.145 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.335 9.353 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.256 8.750 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.842 5.820 -7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.544 6.290 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.169 5.297 -7.161 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.802 7.122 -8.776 1.00 0.00 N ATOM 1213 CA LEU A 77 -2.345 7.200 -10.155 1.00 0.00 C ATOM 1214 C LEU A 77 -2.807 5.981 -10.941 1.00 0.00 C ATOM 1215 O LEU A 77 -3.406 6.100 -12.009 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.820 7.291 -10.196 1.00 0.00 C ATOM 1217 CG LEU A 77 -0.218 8.428 -9.379 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.280 8.243 -9.255 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.545 9.771 -10.012 1.00 0.00 C ATOM 0 H LEU A 77 -2.404 6.350 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.772 8.094 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.406 6.348 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.506 7.404 -11.234 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.653 8.411 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.700 9.061 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.490 7.296 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.730 8.239 -10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.107 10.571 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.136 9.806 -11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.627 9.900 -10.054 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.532 4.813 -10.389 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.892 3.552 -11.018 1.00 0.00 C ATOM 1233 C ALA A 78 -3.601 2.675 -10.013 1.00 0.00 C ATOM 1234 O ALA A 78 -3.359 2.807 -8.823 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.649 2.844 -11.528 1.00 0.00 C ATOM 0 H ALA A 78 -2.054 4.710 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.553 3.751 -11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.933 1.902 -11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.145 3.475 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.975 2.646 -10.694 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.467 1.788 -10.486 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.205 0.885 -9.619 1.00 0.00 C ATOM 1243 C VAL A 79 -5.428 -0.449 -10.317 1.00 0.00 C ATOM 1244 O VAL A 79 -5.874 -0.501 -11.465 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.572 1.467 -9.184 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.390 2.504 -8.086 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -7.310 2.073 -10.370 1.00 0.00 C ATOM 0 H VAL A 79 -4.676 1.676 -11.478 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.601 0.745 -8.723 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.175 0.648 -8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.363 2.900 -7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.914 2.040 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.762 3.316 -8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.267 2.474 -10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.710 2.875 -10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.482 1.304 -11.123 1.00 0.00 H new ATOM 1257 N THR A 80 -5.083 -1.521 -9.637 1.00 0.00 N ATOM 1258 CA THR A 80 -5.275 -2.855 -10.162 1.00 0.00 C ATOM 1259 C THR A 80 -5.876 -3.746 -9.084 1.00 0.00 C ATOM 1260 O THR A 80 -5.328 -3.862 -7.984 1.00 0.00 O ATOM 1261 CB THR A 80 -3.940 -3.449 -10.654 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.351 -2.567 -11.618 1.00 0.00 O ATOM 1263 CG2 THR A 80 -4.143 -4.824 -11.277 1.00 0.00 C ATOM 0 H THR A 80 -4.663 -1.493 -8.708 1.00 0.00 H new ATOM 0 HA THR A 80 -5.957 -2.800 -11.011 1.00 0.00 H new ATOM 0 HB THR A 80 -3.278 -3.559 -9.795 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.502 -2.943 -11.930 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.183 -5.216 -11.614 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.571 -5.499 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.820 -4.742 -12.127 1.00 0.00 H new ATOM 1271 N LEU A 81 -7.010 -4.352 -9.387 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.684 -5.192 -8.419 1.00 0.00 C ATOM 1273 C LEU A 81 -6.983 -6.535 -8.308 1.00 0.00 C ATOM 1274 O LEU A 81 -7.044 -7.365 -9.215 1.00 0.00 O ATOM 1275 CB LEU A 81 -9.150 -5.405 -8.782 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.950 -6.162 -7.720 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -10.168 -5.284 -6.493 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.278 -6.643 -8.286 1.00 0.00 C ATOM 0 H LEU A 81 -7.479 -4.278 -10.290 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.644 -4.680 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.617 -4.434 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.205 -5.953 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.377 -7.039 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.739 -5.837 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.203 -4.999 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.718 -4.388 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.830 -7.179 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.862 -5.786 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.094 -7.309 -9.129 1.00 0.00 H new ATOM 1290 N VAL A 82 -6.315 -6.726 -7.190 1.00 0.00 N ATOM 1291 CA VAL A 82 -5.594 -7.956 -6.918 1.00 0.00 C ATOM 1292 C VAL A 82 -6.570 -8.992 -6.366 1.00 0.00 C ATOM 1293 O VAL A 82 -6.538 -10.157 -6.753 1.00 0.00 O ATOM 1294 CB VAL A 82 -4.442 -7.701 -5.919 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -3.121 -8.212 -6.461 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -4.324 -6.221 -5.607 1.00 0.00 C ATOM 0 H VAL A 82 -6.255 -6.034 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.154 -8.332 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.676 -8.244 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.331 -8.018 -5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.192 -9.285 -6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.889 -7.701 -7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.508 -6.062 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.123 -5.670 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.257 -5.866 -5.168 1.00 0.00 H new ATOM 1306 N SER A 83 -7.443 -8.525 -5.473 1.00 0.00 N ATOM 1307 CA SER A 83 -8.591 -9.293 -4.987 1.00 0.00 C ATOM 1308 C SER A 83 -8.183 -10.510 -4.149 1.00 0.00 C ATOM 1309 O SER A 83 -7.001 -10.782 -3.951 1.00 0.00 O ATOM 1310 CB SER A 83 -9.467 -9.710 -6.166 1.00 0.00 C ATOM 1311 OG SER A 83 -10.677 -10.305 -5.728 1.00 0.00 O ATOM 0 H SER A 83 -7.373 -7.594 -5.062 1.00 0.00 H new ATOM 0 HA SER A 83 -9.160 -8.645 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.691 -8.838 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.921 -10.413 -6.796 1.00 0.00 H new ATOM 0 HG SER A 83 -11.217 -10.559 -6.505 1.00 0.00 H new ATOM 1317 N SER A 84 -9.188 -11.212 -3.626 1.00 0.00 N ATOM 1318 CA SER A 84 -8.974 -12.351 -2.743 1.00 0.00 C ATOM 1319 C SER A 84 -10.202 -13.264 -2.719 1.00 0.00 C ATOM 1320 O SER A 84 -10.155 -14.391 -3.209 1.00 0.00 O ATOM 1321 CB SER A 84 -8.659 -11.869 -1.324 1.00 0.00 C ATOM 1322 OG SER A 84 -7.465 -11.105 -1.296 1.00 0.00 O ATOM 0 H SER A 84 -10.171 -11.005 -3.804 1.00 0.00 H new ATOM 0 HA SER A 84 -8.127 -12.920 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.487 -11.268 -0.949 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.561 -12.727 -0.659 1.00 0.00 H new ATOM 0 HG SER A 84 -6.833 -11.461 -1.955 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.302 -12.771 -2.157 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.495 -13.591 -1.983 1.00 0.00 C ATOM 1330 C ALA A 85 -13.433 -13.500 -3.184 1.00 0.00 C ATOM 1331 O ALA A 85 -13.492 -14.414 -4.006 1.00 0.00 O ATOM 1332 CB ALA A 85 -13.226 -13.202 -0.703 1.00 0.00 C ATOM 0 H ALA A 85 -11.391 -11.814 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.169 -14.628 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.114 -13.823 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.566 -13.350 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.521 -12.154 -0.757 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.160 -12.398 -3.291 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.117 -12.257 -4.367 1.00 0.00 C ATOM 1340 C GLY A 86 -16.066 -11.107 -4.143 1.00 0.00 C ATOM 1341 O GLY A 86 -17.048 -11.242 -3.414 1.00 0.00 O ATOM 0 H GLY A 86 -14.105 -11.603 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.585 -12.108 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.687 -13.181 -4.467 1.00 0.00 H new ATOM 1345 N LEU A 87 -15.785 -9.978 -4.773 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.599 -8.783 -4.591 1.00 0.00 C ATOM 1347 C LEU A 87 -17.200 -8.348 -5.931 1.00 0.00 C ATOM 1348 O LEU A 87 -16.657 -7.471 -6.597 1.00 0.00 O ATOM 1349 CB LEU A 87 -15.775 -7.612 -4.012 1.00 0.00 C ATOM 1350 CG LEU A 87 -14.834 -7.907 -2.826 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.515 -8.772 -1.784 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.526 -8.536 -3.292 1.00 0.00 C ATOM 0 H LEU A 87 -15.001 -9.862 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.390 -9.034 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.174 -7.195 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.473 -6.835 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.591 -6.952 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.825 -8.962 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.399 -8.258 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.811 -9.719 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.888 -8.730 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.736 -9.474 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.017 -7.855 -3.974 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.319 -8.958 -6.353 1.00 0.00 N ATOM 1365 CA PRO A 88 -18.975 -8.610 -7.614 1.00 0.00 C ATOM 1366 C PRO A 88 -19.767 -7.309 -7.503 1.00 0.00 C ATOM 1367 O PRO A 88 -19.329 -6.258 -7.981 1.00 0.00 O ATOM 1368 CB PRO A 88 -19.913 -9.799 -7.884 1.00 0.00 C ATOM 1369 CG PRO A 88 -19.613 -10.806 -6.816 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.027 -10.038 -5.667 1.00 0.00 C ATOM 0 HA PRO A 88 -18.256 -8.442 -8.416 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.957 -9.489 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.739 -10.217 -8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.518 -11.331 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -18.913 -11.560 -7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -19.797 -9.659 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.354 -10.651 -5.067 1.00 0.00 H new ATOM 1378 N SER A 89 -20.922 -7.382 -6.848 1.00 0.00 N ATOM 1379 CA SER A 89 -21.749 -6.208 -6.603 1.00 0.00 C ATOM 1380 C SER A 89 -21.083 -5.300 -5.573 1.00 0.00 C ATOM 1381 O SER A 89 -21.401 -4.120 -5.461 1.00 0.00 O ATOM 1382 CB SER A 89 -23.123 -6.644 -6.097 1.00 0.00 C ATOM 1383 OG SER A 89 -23.654 -7.676 -6.909 1.00 0.00 O ATOM 0 H SER A 89 -21.307 -8.250 -6.475 1.00 0.00 H new ATOM 0 HA SER A 89 -21.866 -5.656 -7.535 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.043 -6.991 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.802 -5.791 -6.095 1.00 0.00 H new ATOM 0 HG SER A 89 -24.533 -7.942 -6.567 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.155 -5.874 -4.824 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.485 -5.166 -3.745 1.00 0.00 C ATOM 1391 C LEU A 90 -18.451 -4.193 -4.299 1.00 0.00 C ATOM 1392 O LEU A 90 -18.258 -3.105 -3.752 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.814 -6.170 -2.805 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.706 -7.326 -2.355 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -18.854 -8.443 -1.783 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.730 -6.847 -1.335 1.00 0.00 C ATOM 0 H LEU A 90 -19.846 -6.839 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.228 -4.595 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -17.936 -6.581 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.460 -5.638 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.249 -7.710 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.496 -9.264 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.161 -8.799 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.291 -8.070 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.356 -7.685 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.214 -6.440 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.354 -6.073 -1.782 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.825 -4.585 -5.410 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.730 -3.824 -6.023 1.00 0.00 C ATOM 1410 C ASP A 91 -17.117 -2.379 -6.303 1.00 0.00 C ATOM 1411 O ASP A 91 -16.360 -1.463 -5.992 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.285 -4.508 -7.325 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.545 -3.584 -8.281 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.330 -3.362 -8.101 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -16.178 -3.104 -9.247 1.00 0.00 O1- ATOM 0 H ASP A 91 -18.062 -5.440 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.905 -3.808 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.641 -5.353 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.162 -4.912 -7.831 1.00 0.00 H new ATOM 1420 N ARG A 92 -18.311 -2.177 -6.839 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.724 -0.855 -7.294 1.00 0.00 C ATOM 1422 C ARG A 92 -18.570 0.204 -6.199 1.00 0.00 C ATOM 1423 O ARG A 92 -17.932 1.229 -6.414 1.00 0.00 O ATOM 1424 CB ARG A 92 -20.175 -0.890 -7.795 1.00 0.00 C ATOM 1425 CG ARG A 92 -21.177 -1.386 -6.762 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.608 -1.258 -7.248 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.883 -2.109 -8.403 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.533 -1.698 -9.489 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -23.859 -0.420 -9.627 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.827 -2.562 -10.451 1.00 0.00 N ATOM 0 H ARG A 92 -19.010 -2.908 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 92 -18.066 -0.576 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.463 0.112 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -20.229 -1.531 -8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.967 -2.429 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.056 -0.819 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -23.289 -1.519 -6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.808 -0.219 -7.510 1.00 0.00 H new ATOM 0 HE ARG A 92 -22.558 -3.075 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -23.611 0.251 -8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -24.357 -0.108 -10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -23.555 -3.541 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -24.325 -2.248 -11.284 1.00 0.00 H new ATOM 1444 N GLU A 93 -19.134 -0.049 -5.029 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.146 0.926 -3.962 1.00 0.00 C ATOM 1446 C GLU A 93 -17.823 1.016 -3.201 1.00 0.00 C ATOM 1447 O GLU A 93 -17.257 2.103 -3.059 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.286 0.603 -3.024 1.00 0.00 C ATOM 1449 CG GLU A 93 -21.591 1.262 -3.439 1.00 0.00 C ATOM 1450 CD GLU A 93 -22.703 1.059 -2.440 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -22.745 1.803 -1.442 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -23.547 0.163 -2.655 1.00 0.00 O ATOM 0 H GLU A 93 -19.592 -0.931 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.287 1.908 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.425 -0.477 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.025 0.926 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.424 2.331 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.901 0.863 -4.405 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.342 -0.116 -2.697 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.132 -0.136 -1.875 1.00 0.00 C ATOM 1461 C ILE A 94 -14.900 0.322 -2.652 1.00 0.00 C ATOM 1462 O ILE A 94 -14.037 1.008 -2.106 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.863 -1.529 -1.250 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.630 -2.593 -2.330 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -17.022 -1.930 -0.348 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.274 -3.954 -1.772 1.00 0.00 C ATOM 0 H ILE A 94 -17.769 -1.031 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.318 0.572 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.954 -1.461 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.529 -2.683 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.829 -2.259 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.823 -2.910 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.133 -1.196 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.941 -1.972 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.124 -4.656 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.358 -3.879 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.084 -4.309 -1.135 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.814 -0.034 -3.927 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.682 0.363 -4.732 1.00 0.00 C ATOM 1480 C GLN A 95 -13.861 1.777 -5.255 1.00 0.00 C ATOM 1481 O GLN A 95 -12.898 2.465 -5.539 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.485 -0.588 -5.890 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.325 -2.042 -5.475 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.034 -2.304 -4.737 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.030 -1.631 -4.963 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.046 -3.290 -3.860 1.00 0.00 N ATOM 0 H GLN A 95 -15.512 -0.593 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.797 0.332 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.337 -0.505 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.603 -0.282 -6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.164 -2.328 -4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.365 -2.674 -6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.901 -3.823 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.200 -3.519 -3.339 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.087 2.218 -5.410 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.315 3.628 -5.679 1.00 0.00 C ATOM 1497 C ALA A 96 -14.684 4.435 -4.555 1.00 0.00 C ATOM 1498 O ALA A 96 -13.944 5.387 -4.784 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.800 3.941 -5.794 1.00 0.00 C ATOM 0 H ALA A 96 -15.927 1.642 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.860 3.891 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.933 5.004 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.232 3.360 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.300 3.683 -4.860 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.921 3.973 -3.341 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.438 4.610 -2.162 1.00 0.00 C ATOM 1507 C LEU A 97 -12.910 4.510 -2.050 1.00 0.00 C ATOM 1508 O LEU A 97 -12.227 5.520 -1.942 1.00 0.00 O ATOM 1509 CB LEU A 97 -15.103 3.917 -0.981 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.685 4.452 0.353 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.764 5.358 0.925 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.349 3.319 1.304 1.00 0.00 C ATOM 0 H LEU A 97 -15.465 3.130 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.679 5.673 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.184 4.015 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.874 2.852 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.783 5.050 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.443 5.738 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.935 6.194 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.688 4.793 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.048 3.730 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.225 2.685 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.532 2.727 0.891 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.382 3.291 -2.098 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.946 3.066 -1.905 1.00 0.00 C ATOM 1526 C VAL A 98 -10.154 3.151 -3.212 1.00 0.00 C ATOM 1527 O VAL A 98 -9.135 3.834 -3.286 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.687 1.698 -1.239 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.195 1.404 -1.158 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.305 1.663 0.151 1.00 0.00 C ATOM 0 H VAL A 98 -12.922 2.443 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.599 3.866 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.153 0.928 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.040 0.434 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.772 1.389 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.703 2.178 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.115 0.693 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.863 2.447 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.380 1.824 0.075 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.634 2.466 -4.239 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.926 2.388 -5.516 1.00 0.00 C ATOM 1542 C LYS A 99 -9.955 3.738 -6.258 1.00 0.00 C ATOM 1543 O LYS A 99 -9.184 3.952 -7.190 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.499 1.228 -6.374 1.00 0.00 C ATOM 1545 CG LYS A 99 -10.014 1.195 -7.821 1.00 0.00 C ATOM 1546 CD LYS A 99 -9.758 -0.227 -8.316 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.987 -1.118 -8.195 1.00 0.00 C ATOM 1548 NZ LYS A 99 -12.101 -0.692 -9.091 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.515 1.952 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.876 2.168 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.240 0.282 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.587 1.298 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.756 1.672 -8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.097 1.778 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.439 -0.193 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.939 -0.665 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.710 -2.145 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.335 -1.111 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.911 -1.333 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.388 0.278 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.782 -0.724 -10.080 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.830 4.662 -5.846 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.757 6.021 -6.373 1.00 0.00 C ATOM 1564 C ARG A 100 -10.022 6.943 -5.398 1.00 0.00 C ATOM 1565 O ARG A 100 -9.300 7.846 -5.816 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.152 6.569 -6.691 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.154 8.005 -7.200 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.297 8.166 -8.448 1.00 0.00 C ATOM 1569 NE ARG A 100 -11.788 7.360 -9.563 1.00 0.00 N ATOM 1570 CZ ARG A 100 -11.037 6.991 -10.600 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -9.768 7.373 -10.684 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -11.562 6.249 -11.564 1.00 0.00 N ATOM 0 H ARG A 100 -11.575 4.498 -5.169 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.192 5.987 -7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.620 5.929 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.767 6.512 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.177 8.311 -7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.784 8.668 -6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -11.279 9.216 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.270 7.881 -8.220 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.763 7.062 -9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.361 7.954 -9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.201 7.086 -11.481 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.539 5.961 -11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.989 5.965 -12.359 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.195 6.718 -4.100 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.488 7.512 -3.099 1.00 0.00 C ATOM 1588 C ALA A 101 -8.293 6.750 -2.544 1.00 0.00 C ATOM 1589 O ALA A 101 -8.257 6.411 -1.362 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.416 7.938 -1.966 1.00 0.00 C ATOM 0 H ALA A 101 -10.811 6.001 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.126 8.412 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.856 8.527 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.231 8.539 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.825 7.053 -1.478 1.00 0.00 H new ATOM 1596 N SER A 102 -7.324 6.473 -3.407 1.00 0.00 N ATOM 1597 CA SER A 102 -6.098 5.805 -2.993 1.00 0.00 C ATOM 1598 C SER A 102 -5.019 6.835 -2.664 1.00 0.00 C ATOM 1599 O SER A 102 -4.398 7.411 -3.560 1.00 0.00 O ATOM 1600 CB SER A 102 -5.616 4.852 -4.087 1.00 0.00 C ATOM 1601 OG SER A 102 -6.661 3.994 -4.516 1.00 0.00 O ATOM 0 H SER A 102 -7.364 6.701 -4.400 1.00 0.00 H new ATOM 0 HA SER A 102 -6.304 5.222 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.242 5.426 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.783 4.256 -3.713 1.00 0.00 H new ATOM 0 HG SER A 102 -7.415 4.060 -3.894 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.812 7.102 -1.369 1.00 0.00 N ATOM 1608 CA PRO A 103 -3.869 8.092 -0.888 1.00 0.00 C ATOM 1609 C PRO A 103 -2.556 7.493 -0.375 1.00 0.00 C ATOM 1610 O PRO A 103 -2.408 6.277 -0.263 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.656 8.708 0.262 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.555 7.610 0.768 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.516 6.489 -0.246 1.00 0.00 C ATOM 0 HA PRO A 103 -3.550 8.782 -1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.989 9.063 1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.237 9.567 -0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.218 7.257 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.574 7.976 0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.988 5.615 0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.517 6.160 -0.526 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.617 8.371 -0.046 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.302 7.970 0.444 1.00 0.00 C ATOM 1623 C LEU A 104 0.161 8.957 1.517 1.00 0.00 C ATOM 1624 O LEU A 104 0.667 10.033 1.190 1.00 0.00 O ATOM 1625 CB LEU A 104 0.697 7.954 -0.723 1.00 0.00 C ATOM 1626 CG LEU A 104 2.138 7.546 -0.383 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.261 6.035 -0.220 1.00 0.00 C ATOM 1628 CD2 LEU A 104 3.089 8.047 -1.456 1.00 0.00 C ATOM 0 H LEU A 104 -1.744 9.381 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.359 6.971 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.320 7.273 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.719 8.949 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 104 2.406 8.004 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.293 5.778 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.607 5.701 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.972 5.544 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.108 7.752 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.813 7.615 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.030 9.134 -1.516 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.027 8.631 2.811 1.00 0.00 N ATOM 1641 CA PRO A 105 0.398 9.513 3.892 1.00 0.00 C ATOM 1642 C PRO A 105 1.910 9.531 4.049 1.00 0.00 C ATOM 1643 O PRO A 105 2.548 10.566 3.872 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.251 8.940 5.152 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.928 7.667 4.762 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.650 7.394 3.305 1.00 0.00 C ATOM 0 HA PRO A 105 0.101 10.543 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.499 8.757 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.970 9.645 5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.565 6.843 5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.002 7.743 4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.014 6.538 3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.567 7.167 2.762 1.00 0.00 H new ATOM 1654 N THR A 106 2.472 8.380 4.382 1.00 0.00 N ATOM 1655 CA THR A 106 3.909 8.231 4.520 1.00 0.00 C ATOM 1656 C THR A 106 4.578 8.151 3.156 1.00 0.00 C ATOM 1657 O THR A 106 4.387 7.181 2.427 1.00 0.00 O ATOM 1658 CB THR A 106 4.237 6.972 5.338 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.253 5.963 5.075 1.00 0.00 O ATOM 1660 CG2 THR A 106 4.267 7.281 6.828 1.00 0.00 C ATOM 0 H THR A 106 1.945 7.526 4.563 1.00 0.00 H new ATOM 0 HA THR A 106 4.293 9.107 5.043 1.00 0.00 H new ATOM 0 HB THR A 106 5.224 6.615 5.043 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.646 5.077 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.501 6.373 7.383 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.028 8.035 7.028 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.293 7.657 7.141 1.00 0.00 H new ATOM 1668 N PRO A 107 5.356 9.186 2.792 1.00 0.00 N ATOM 1669 CA PRO A 107 6.025 9.274 1.493 1.00 0.00 C ATOM 1670 C PRO A 107 7.268 8.389 1.417 1.00 0.00 C ATOM 1671 O PRO A 107 8.320 8.725 1.970 1.00 0.00 O ATOM 1672 CB PRO A 107 6.420 10.760 1.382 1.00 0.00 C ATOM 1673 CG PRO A 107 5.818 11.433 2.574 1.00 0.00 C ATOM 1674 CD PRO A 107 5.650 10.365 3.613 1.00 0.00 C ATOM 0 HA PRO A 107 5.378 8.932 0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.504 10.877 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.045 11.196 0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.463 12.233 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.859 11.887 2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.552 10.232 4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.839 10.593 4.305 1.00 0.00 H new ATOM 1682 N PRO A 108 7.165 7.244 0.732 1.00 0.00 N ATOM 1683 CA PRO A 108 8.282 6.320 0.551 1.00 0.00 C ATOM 1684 C PRO A 108 9.163 6.755 -0.606 1.00 0.00 C ATOM 1685 O PRO A 108 9.206 6.115 -1.658 1.00 0.00 O ATOM 1686 CB PRO A 108 7.557 5.010 0.256 1.00 0.00 C ATOM 1687 CG PRO A 108 6.382 5.441 -0.546 1.00 0.00 C ATOM 1688 CD PRO A 108 5.942 6.744 0.064 1.00 0.00 C ATOM 0 HA PRO A 108 8.958 6.258 1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.189 4.316 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.254 4.503 1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.647 5.568 -1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.585 4.699 -0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.585 7.441 -0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.127 6.600 0.774 1.00 0.00 H new ATOM 1696 N ALA A 109 9.853 7.868 -0.401 1.00 0.00 N ATOM 1697 CA ALA A 109 10.716 8.441 -1.417 1.00 0.00 C ATOM 1698 C ALA A 109 11.740 7.431 -1.900 1.00 0.00 C ATOM 1699 O ALA A 109 11.961 7.290 -3.099 1.00 0.00 O ATOM 1700 CB ALA A 109 11.399 9.689 -0.890 1.00 0.00 C ATOM 0 H ALA A 109 9.829 8.395 0.472 1.00 0.00 H new ATOM 0 HA ALA A 109 10.096 8.719 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.043 10.106 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.646 10.425 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 109 12.000 9.434 -0.017 1.00 0.00 H new ATOM 1706 N ASP A 110 12.312 6.685 -0.968 1.00 0.00 N ATOM 1707 CA ASP A 110 13.341 5.714 -1.303 1.00 0.00 C ATOM 1708 C ASP A 110 12.740 4.451 -1.908 1.00 0.00 C ATOM 1709 O ASP A 110 13.433 3.452 -2.111 1.00 0.00 O ATOM 1710 CB ASP A 110 14.187 5.383 -0.075 1.00 0.00 C ATOM 1711 CG ASP A 110 15.078 6.541 0.330 1.00 0.00 C ATOM 1712 OD1 ASP A 110 14.551 7.557 0.829 1.00 0.00 O ATOM 1713 OD2 ASP A 110 16.313 6.445 0.145 1.00 0.00 O1- ATOM 0 H ASP A 110 12.082 6.733 0.024 1.00 0.00 H new ATOM 0 HA ASP A 110 13.989 6.161 -2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.532 5.121 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.802 4.508 -0.284 1.00 0.00 H new ATOM 1718 N ALA A 111 11.450 4.503 -2.198 1.00 0.00 N ATOM 1719 CA ALA A 111 10.769 3.404 -2.853 1.00 0.00 C ATOM 1720 C ALA A 111 10.311 3.803 -4.253 1.00 0.00 C ATOM 1721 O ALA A 111 9.995 2.947 -5.076 1.00 0.00 O ATOM 1722 CB ALA A 111 9.583 2.947 -2.020 1.00 0.00 C ATOM 0 H ALA A 111 10.852 5.302 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 111 11.472 2.576 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.081 2.121 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.931 2.617 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.885 3.775 -1.896 1.00 0.00 H new ATOM 1728 N TYR A 112 10.271 5.106 -4.528 1.00 0.00 N ATOM 1729 CA TYR A 112 9.789 5.570 -5.822 1.00 0.00 C ATOM 1730 C TYR A 112 10.676 6.607 -6.466 1.00 0.00 C ATOM 1731 O TYR A 112 10.247 7.315 -7.378 1.00 0.00 O ATOM 1732 CB TYR A 112 8.353 6.055 -5.773 1.00 0.00 C ATOM 1733 CG TYR A 112 8.003 7.104 -4.745 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.810 8.203 -4.486 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.829 6.975 -4.031 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.445 9.138 -3.539 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.457 7.893 -3.086 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.266 8.977 -2.838 1.00 0.00 C ATOM 1739 OH TYR A 112 6.905 9.892 -1.877 1.00 0.00 O ATOM 0 H TYR A 112 10.561 5.843 -3.885 1.00 0.00 H new ATOM 0 HA TYR A 112 9.825 4.685 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.099 6.451 -6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.712 5.190 -5.602 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.734 8.328 -5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.187 6.128 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.078 9.992 -3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.534 7.767 -2.539 1.00 0.00 H new ATOM 0 HH TYR A 112 6.048 9.630 -1.481 1.00 0.00 H new ATOM 1749 N VAL A 113 11.894 6.715 -5.999 1.00 0.00 N ATOM 1750 CA VAL A 113 12.866 7.529 -6.710 1.00 0.00 C ATOM 1751 C VAL A 113 13.251 6.790 -7.988 1.00 0.00 C ATOM 1752 O VAL A 113 14.239 6.051 -8.044 1.00 0.00 O ATOM 1753 CB VAL A 113 14.127 7.846 -5.869 1.00 0.00 C ATOM 1754 CG1 VAL A 113 13.859 9.006 -4.922 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.590 6.626 -5.083 1.00 0.00 C ATOM 0 H VAL A 113 12.238 6.264 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 113 12.409 8.493 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 113 14.923 8.128 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.756 9.215 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.587 9.890 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.042 8.745 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.477 6.882 -4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.796 6.305 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 113 14.829 5.817 -5.774 1.00 0.00 H new ATOM 1765 N ASN A 114 12.449 7.053 -9.017 1.00 0.00 N ATOM 1766 CA ASN A 114 12.433 6.302 -10.273 1.00 0.00 C ATOM 1767 C ASN A 114 11.077 6.519 -10.937 1.00 0.00 C ATOM 1768 O ASN A 114 10.932 6.397 -12.154 1.00 0.00 O ATOM 1769 CB ASN A 114 12.644 4.793 -10.053 1.00 0.00 C ATOM 1770 CG ASN A 114 11.418 4.074 -9.500 1.00 0.00 C ATOM 1771 OD1 ASN A 114 10.582 3.574 -10.253 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.302 4.007 -8.183 1.00 0.00 N ATOM 0 H ASN A 114 11.772 7.816 -9.001 1.00 0.00 H new ATOM 0 HA ASN A 114 13.251 6.661 -10.898 1.00 0.00 H new ATOM 0 HB2 ASN A 114 12.927 4.333 -11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.479 4.649 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.503 3.531 -7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.012 4.432 -7.586 1.00 0.00 H new ATOM 1779 N GLY A 115 10.081 6.833 -10.113 1.00 0.00 N ATOM 1780 CA GLY A 115 8.733 7.035 -10.598 1.00 0.00 C ATOM 1781 C GLY A 115 7.742 7.206 -9.461 1.00 0.00 C ATOM 1782 O GLY A 115 7.560 8.313 -8.955 1.00 0.00 O ATOM 0 H GLY A 115 10.190 6.952 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.706 7.916 -11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.437 6.185 -11.213 1.00 0.00 H new ATOM 1786 N THR A 116 7.132 6.104 -9.037 1.00 0.00 N ATOM 1787 CA THR A 116 6.089 6.121 -8.016 1.00 0.00 C ATOM 1788 C THR A 116 5.961 4.733 -7.377 1.00 0.00 C ATOM 1789 O THR A 116 6.624 3.791 -7.817 1.00 0.00 O ATOM 1790 CB THR A 116 4.741 6.581 -8.608 1.00 0.00 C ATOM 1791 OG1 THR A 116 4.693 6.282 -10.011 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.537 8.074 -8.390 1.00 0.00 C ATOM 0 H THR A 116 7.347 5.172 -9.392 1.00 0.00 H new ATOM 0 HA THR A 116 6.370 6.837 -7.244 1.00 0.00 H new ATOM 0 HB THR A 116 3.941 6.044 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.833 6.576 -10.379 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.580 8.376 -8.815 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.544 8.290 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.341 8.626 -8.877 1.00 0.00 H new ATOM 1800 N VAL A 117 5.124 4.593 -6.344 1.00 0.00 N ATOM 1801 CA VAL A 117 5.082 3.350 -5.575 1.00 0.00 C ATOM 1802 C VAL A 117 3.871 2.517 -5.929 1.00 0.00 C ATOM 1803 O VAL A 117 2.740 2.877 -5.616 1.00 0.00 O ATOM 1804 CB VAL A 117 5.057 3.583 -4.043 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.434 3.914 -3.512 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.062 4.674 -3.658 1.00 0.00 C ATOM 0 H VAL A 117 4.477 5.314 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 117 6.000 2.827 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 117 4.730 2.650 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.380 4.071 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.114 3.089 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.801 4.820 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.072 4.810 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.341 5.609 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.061 4.383 -3.978 1.00 0.00 H new ATOM 1816 N GLU A 118 4.119 1.408 -6.599 1.00 0.00 N ATOM 1817 CA GLU A 118 3.078 0.442 -6.858 1.00 0.00 C ATOM 1818 C GLU A 118 3.173 -0.655 -5.812 1.00 0.00 C ATOM 1819 O GLU A 118 4.139 -1.415 -5.791 1.00 0.00 O ATOM 1820 CB GLU A 118 3.238 -0.148 -8.256 1.00 0.00 C ATOM 1821 CG GLU A 118 2.007 -0.884 -8.751 1.00 0.00 C ATOM 1822 CD GLU A 118 2.265 -1.630 -10.041 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.297 -0.987 -11.108 1.00 0.00 O1- ATOM 1824 OE2 GLU A 118 2.448 -2.862 -9.995 1.00 0.00 O ATOM 0 H GLU A 118 5.034 1.157 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 118 2.102 0.925 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.476 0.654 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.085 -0.834 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.675 -1.587 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.196 -0.171 -8.902 1.00 0.00 H new ATOM 1831 N LEU A 119 2.186 -0.730 -4.941 1.00 0.00 N ATOM 1832 CA LEU A 119 2.218 -1.691 -3.855 1.00 0.00 C ATOM 1833 C LEU A 119 0.824 -2.248 -3.610 1.00 0.00 C ATOM 1834 O LEU A 119 -0.176 -1.608 -3.945 1.00 0.00 O ATOM 1835 CB LEU A 119 2.803 -1.046 -2.586 1.00 0.00 C ATOM 1836 CG LEU A 119 1.922 -0.016 -1.869 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.227 -0.661 -0.689 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.750 1.179 -1.419 1.00 0.00 C ATOM 0 H LEU A 119 1.355 -0.140 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 119 2.867 -2.522 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.041 -1.841 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.743 -0.563 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 119 1.165 0.343 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.603 0.078 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.604 -1.484 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.973 -1.042 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.106 1.898 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.529 0.845 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.209 1.652 -2.288 1.00 0.00 H new ATOM 1850 N THR A 120 0.768 -3.443 -3.048 1.00 0.00 N ATOM 1851 CA THR A 120 -0.492 -4.129 -2.838 1.00 0.00 C ATOM 1852 C THR A 120 -0.962 -4.010 -1.393 1.00 0.00 C ATOM 1853 O THR A 120 -0.229 -4.339 -0.456 1.00 0.00 O ATOM 1854 CB THR A 120 -0.382 -5.619 -3.207 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.024 -5.754 -4.577 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.712 -6.323 -2.989 1.00 0.00 C ATOM 0 H THR A 120 1.587 -3.960 -2.728 1.00 0.00 H new ATOM 0 HA THR A 120 -1.222 -3.647 -3.489 1.00 0.00 H new ATOM 0 HB THR A 120 0.366 -6.082 -2.563 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.094 -6.704 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.615 -7.375 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 120 -2.001 -6.239 -1.941 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.476 -5.860 -3.614 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.188 -3.545 -1.224 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.793 -3.427 0.091 1.00 0.00 C ATOM 1866 C LEU A 121 -4.167 -4.076 0.101 1.00 0.00 C ATOM 1867 O LEU A 121 -5.027 -3.736 -0.707 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.910 -1.958 0.492 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.581 -1.267 0.781 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.804 0.183 1.163 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.839 -2.005 1.882 1.00 0.00 C ATOM 0 H LEU A 121 -2.789 -3.240 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.155 -3.940 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.419 -1.417 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.541 -1.887 1.378 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.973 -1.287 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.844 0.658 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.301 0.703 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.428 0.232 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.108 -1.504 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.444 -2.010 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.648 -3.031 1.568 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.391 -5.038 0.997 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.697 -5.654 1.155 1.00 0.00 C ATOM 1885 C PRO A 122 -6.643 -4.733 1.908 1.00 0.00 C ATOM 1886 O PRO A 122 -6.363 -4.325 3.039 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.424 -6.929 1.966 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.940 -6.994 2.155 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.409 -5.606 1.921 1.00 0.00 C ATOM 0 HA PRO A 122 -6.173 -5.863 0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.938 -6.897 2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.788 -7.811 1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.693 -7.338 3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.492 -7.702 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.347 -5.035 2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.408 -5.623 1.489 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.749 -4.393 1.272 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.737 -3.538 1.890 1.00 0.00 C ATOM 1899 C ILE A 123 -9.825 -4.419 2.497 1.00 0.00 C ATOM 1900 O ILE A 123 -10.538 -5.138 1.790 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.337 -2.507 0.883 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -10.253 -3.176 -0.142 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.220 -1.766 0.150 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.980 -2.194 -1.033 1.00 0.00 C ATOM 0 H ILE A 123 -7.983 -4.698 0.327 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.258 -2.949 2.672 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.931 -1.802 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.661 -3.848 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.985 -3.789 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.655 -1.051 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.600 -1.236 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.607 -2.482 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.611 -2.738 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.599 -1.538 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.254 -1.597 -1.585 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.913 -4.430 3.814 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.877 -5.301 4.462 1.00 0.00 C ATOM 1918 C ASP A 124 -12.169 -4.575 4.779 1.00 0.00 C ATOM 1919 O ASP A 124 -12.184 -3.577 5.502 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.317 -5.864 5.775 1.00 0.00 C ATOM 1921 CG ASP A 124 -9.349 -7.017 5.595 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -8.184 -6.777 5.225 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -9.746 -8.174 5.866 1.00 0.00 O ATOM 0 H ASP A 124 -9.345 -3.862 4.443 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.077 -6.110 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.813 -5.062 6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -11.147 -6.196 6.398 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.245 -5.090 4.225 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.580 -4.839 4.727 1.00 0.00 C ATOM 1930 C PHE A 125 -15.121 -6.174 5.225 1.00 0.00 C ATOM 1931 O PHE A 125 -15.060 -7.159 4.494 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.474 -4.243 3.634 1.00 0.00 C ATOM 1933 CG PHE A 125 -15.062 -2.868 3.196 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -14.145 -2.699 2.170 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.589 -1.745 3.809 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.761 -1.435 1.766 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -15.209 -0.479 3.409 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.294 -0.323 2.387 1.00 0.00 C ATOM 0 H PHE A 125 -13.219 -5.699 3.407 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.562 -4.110 5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.466 -4.907 2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.501 -4.206 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.726 -3.566 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.305 -1.860 4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.045 -1.317 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.628 0.389 3.896 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.996 0.667 2.074 1.00 0.00 H new ATOM 1948 N SER A 126 -15.639 -6.214 6.444 1.00 0.00 N ATOM 1949 CA SER A 126 -15.973 -7.486 7.093 1.00 0.00 C ATOM 1950 C SER A 126 -16.957 -8.324 6.271 1.00 0.00 C ATOM 1951 O SER A 126 -18.158 -8.072 6.273 1.00 0.00 O ATOM 1952 CB SER A 126 -16.555 -7.208 8.478 1.00 0.00 C ATOM 1953 OG SER A 126 -15.658 -6.434 9.255 1.00 0.00 O ATOM 0 H SER A 126 -15.839 -5.387 7.007 1.00 0.00 H new ATOM 0 HA SER A 126 -15.054 -8.066 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.505 -6.682 8.379 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.763 -8.150 8.986 1.00 0.00 H new ATOM 0 HG SER A 126 -16.050 -6.266 10.137 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.426 -9.348 5.605 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.217 -10.210 4.735 1.00 0.00 C ATOM 1961 C LEU A 127 -17.830 -11.350 5.538 1.00 0.00 C ATOM 1962 O LEU A 127 -17.165 -12.350 5.818 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.330 -10.776 3.613 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.812 -10.509 2.183 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -15.790 -10.990 1.164 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.147 -11.176 1.926 1.00 0.00 C ATOM 0 H LEU A 127 -15.439 -9.601 5.654 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.021 -9.621 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.329 -10.360 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.244 -11.854 3.752 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.933 -9.431 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.157 -10.788 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.847 -10.465 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.632 -12.062 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.466 -10.970 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.049 -12.253 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.889 -10.786 2.623 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.090 -11.198 5.925 1.00 0.00 N ATOM 1979 CA ARG A 128 -19.767 -12.231 6.701 1.00 0.00 C ATOM 1980 C ARG A 128 -21.171 -12.516 6.161 1.00 0.00 C ATOM 1981 O ARG A 128 -21.931 -13.279 6.756 1.00 0.00 O ATOM 1982 CB ARG A 128 -19.805 -11.832 8.190 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.377 -10.444 8.460 1.00 0.00 C ATOM 1984 CD ARG A 128 -21.897 -10.442 8.449 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.447 -9.089 8.422 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.748 -8.824 8.348 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -24.635 -9.810 8.421 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.160 -7.569 8.231 1.00 0.00 N ATOM 0 H ARG A 128 -19.660 -10.378 5.717 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.200 -13.157 6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -20.397 -12.567 8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -18.793 -11.878 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.021 -10.087 9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.008 -9.747 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -22.253 -10.994 7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -22.266 -10.965 9.332 1.00 0.00 H new ATOM 0 HE ARG A 128 -21.797 -8.304 8.462 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -24.319 -10.773 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -25.632 -9.604 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -23.480 -6.810 8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -25.157 -7.363 8.174 1.00 0.00 H new