USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=18 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 X(o=0,f=-0.078) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 51 TYR OH : rot 30:sc= 0.599 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -177:sc= 1.85 (180deg=1.17) USER MOD Single : A 39 SER OG : rot 180:sc= 0.118 USER MOD Single : A 42 SER OG : rot 70:sc= 0.908 USER MOD Single : A 46 ASN : amide:sc= -0.739 K(o=-0.74,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc=-0.00207 (180deg=-0.122) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.285) USER MOD Single : A 61 GLN : amide:sc= -0.586! C(o=-0.59!,f=-6.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 80 THR OG1 : rot -100:sc= 0.926 USER MOD Single : A 84 SER OG : rot 180:sc= -0.367 USER MOD Single : A 89 SER OG : rot 180:sc= 0.00164 USER MOD Single : A 95 GLN : amide:sc= -4.78! C(o=-4.8!,f=-9.2!) USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= -0.0124 (180deg=-0.202) USER MOD Single : A 102 SER OG : rot -133:sc= 0.179 USER MOD Single : A 106 THR OG1 : rot -100:sc= 0.181 USER MOD Single : A 112 TYR OH : rot 15:sc= -0.331 USER MOD Single : A 114 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.18) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0365 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 0.412 3.380 9.275 1.00 0.00 N ATOM 508 CA TRP A 37 0.366 4.129 8.016 1.00 0.00 C ATOM 509 C TRP A 37 -1.002 4.000 7.345 1.00 0.00 C ATOM 510 O TRP A 37 -1.491 4.948 6.733 1.00 0.00 O ATOM 511 CB TRP A 37 1.483 3.681 7.051 1.00 0.00 C ATOM 512 CG TRP A 37 1.368 2.269 6.548 1.00 0.00 C ATOM 513 CD1 TRP A 37 0.925 1.170 7.232 1.00 0.00 C ATOM 514 CD2 TRP A 37 1.733 1.804 5.245 1.00 0.00 C ATOM 515 NE1 TRP A 37 0.972 0.061 6.426 1.00 0.00 N ATOM 516 CE2 TRP A 37 1.473 0.422 5.204 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.252 2.427 4.107 1.00 0.00 C ATOM 518 CZ2 TRP A 37 1.712 -0.346 4.070 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.493 1.661 2.981 1.00 0.00 C ATOM 520 CH2 TRP A 37 2.223 0.286 2.971 1.00 0.00 C ATOM 0 HA TRP A 37 0.531 5.179 8.259 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.493 4.355 6.194 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.443 3.793 7.555 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.587 1.175 8.258 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.681 -0.879 6.693 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.461 3.487 4.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.501 -1.405 4.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.896 2.130 2.095 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.423 -0.286 2.077 1.00 0.00 H new ATOM 531 N ARG A 38 -1.629 2.840 7.510 1.00 0.00 N ATOM 532 CA ARG A 38 -2.912 2.547 6.874 1.00 0.00 C ATOM 533 C ARG A 38 -4.022 3.407 7.453 1.00 0.00 C ATOM 534 O ARG A 38 -4.913 3.861 6.735 1.00 0.00 O ATOM 535 CB ARG A 38 -3.271 1.074 7.049 1.00 0.00 C ATOM 536 CG ARG A 38 -3.110 0.581 8.479 1.00 0.00 C ATOM 537 CD ARG A 38 -3.663 -0.819 8.656 1.00 0.00 C ATOM 538 NE ARG A 38 -3.429 -1.336 10.003 1.00 0.00 N ATOM 539 CZ ARG A 38 -3.108 -2.600 10.272 1.00 0.00 C ATOM 540 NH1 ARG A 38 -2.924 -3.472 9.289 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -2.959 -2.996 11.533 1.00 0.00 N ATOM 0 H ARG A 38 -1.266 2.079 8.085 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.811 2.773 5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.302 0.919 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.642 0.473 6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.055 0.592 8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.621 1.263 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.734 -0.814 8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.202 -1.485 7.927 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.517 -0.688 10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.028 -3.176 8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.678 -4.438 9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.091 -2.331 12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.713 -3.965 11.738 1.00 0.00 H new ATOM 555 N SER A 39 -3.966 3.624 8.752 1.00 0.00 N ATOM 556 CA SER A 39 -4.968 4.420 9.424 1.00 0.00 C ATOM 557 C SER A 39 -4.795 5.891 9.056 1.00 0.00 C ATOM 558 O SER A 39 -5.765 6.644 8.992 1.00 0.00 O ATOM 559 CB SER A 39 -4.865 4.199 10.926 1.00 0.00 C ATOM 560 OG SER A 39 -3.942 3.157 11.211 1.00 0.00 O ATOM 0 H SER A 39 -3.235 3.259 9.362 1.00 0.00 H new ATOM 0 HA SER A 39 -5.964 4.115 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.546 5.120 11.414 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.845 3.946 11.331 1.00 0.00 H new ATOM 0 HG SER A 39 -3.885 3.027 12.181 1.00 0.00 H new ATOM 566 N ARG A 40 -3.552 6.288 8.788 1.00 0.00 N ATOM 567 CA ARG A 40 -3.277 7.604 8.277 1.00 0.00 C ATOM 568 C ARG A 40 -3.826 7.718 6.858 1.00 0.00 C ATOM 569 O ARG A 40 -4.402 8.739 6.477 1.00 0.00 O ATOM 570 CB ARG A 40 -1.778 7.855 8.263 1.00 0.00 C ATOM 571 CG ARG A 40 -1.049 7.536 9.556 1.00 0.00 C ATOM 572 CD ARG A 40 0.443 7.787 9.393 1.00 0.00 C ATOM 573 NE ARG A 40 1.224 7.302 10.526 1.00 0.00 N ATOM 574 CZ ARG A 40 2.444 6.775 10.418 1.00 0.00 C ATOM 575 NH1 ARG A 40 3.038 6.690 9.229 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 3.077 6.348 11.500 1.00 0.00 N ATOM 0 H ARG A 40 -2.726 5.705 8.921 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.755 8.345 8.918 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.336 7.263 7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.605 8.903 8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.442 8.151 10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.222 6.496 9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.791 7.300 8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.616 8.856 9.269 1.00 0.00 H new ATOM 0 HE ARG A 40 0.812 7.370 11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.560 7.029 8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.971 6.286 9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.631 6.422 12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.010 5.945 11.419 1.00 0.00 H new ATOM 590 N ILE A 41 -3.629 6.655 6.077 1.00 0.00 N ATOM 591 CA ILE A 41 -4.165 6.575 4.721 1.00 0.00 C ATOM 592 C ILE A 41 -5.681 6.704 4.756 1.00 0.00 C ATOM 593 O ILE A 41 -6.263 7.462 3.984 1.00 0.00 O ATOM 594 CB ILE A 41 -3.786 5.239 4.036 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.276 5.168 3.801 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.542 5.065 2.724 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.802 3.834 3.266 1.00 0.00 C ATOM 0 H ILE A 41 -3.098 5.833 6.365 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.731 7.392 4.145 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.072 4.424 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.990 5.952 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.762 5.376 4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.258 4.119 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.614 5.066 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.295 5.886 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.721 3.862 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.056 3.046 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.287 3.632 2.311 1.00 0.00 H new ATOM 609 N SER A 42 -6.304 5.973 5.674 1.00 0.00 N ATOM 610 CA SER A 42 -7.747 6.045 5.872 1.00 0.00 C ATOM 611 C SER A 42 -8.187 7.483 6.168 1.00 0.00 C ATOM 612 O SER A 42 -9.300 7.891 5.826 1.00 0.00 O ATOM 613 CB SER A 42 -8.162 5.109 7.008 1.00 0.00 C ATOM 614 OG SER A 42 -7.751 3.776 6.746 1.00 0.00 O ATOM 0 H SER A 42 -5.828 5.320 6.296 1.00 0.00 H new ATOM 0 HA SER A 42 -8.242 5.727 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.722 5.451 7.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.244 5.141 7.133 1.00 0.00 H new ATOM 0 HG SER A 42 -6.775 3.717 6.805 1.00 0.00 H new ATOM 620 N GLY A 43 -7.297 8.255 6.788 1.00 0.00 N ATOM 621 CA GLY A 43 -7.586 9.651 7.056 1.00 0.00 C ATOM 622 C GLY A 43 -7.611 10.470 5.780 1.00 0.00 C ATOM 623 O GLY A 43 -8.501 11.297 5.575 1.00 0.00 O ATOM 0 H GLY A 43 -6.382 7.937 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.548 9.734 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.834 10.055 7.734 1.00 0.00 H new ATOM 627 N ARG A 44 -6.639 10.213 4.909 1.00 0.00 N ATOM 628 CA ARG A 44 -6.551 10.881 3.631 1.00 0.00 C ATOM 629 C ARG A 44 -7.681 10.428 2.714 1.00 0.00 C ATOM 630 O ARG A 44 -8.185 11.197 1.902 1.00 0.00 O ATOM 631 CB ARG A 44 -5.212 10.563 2.986 1.00 0.00 C ATOM 632 CG ARG A 44 -4.167 11.656 3.122 1.00 0.00 C ATOM 633 CD ARG A 44 -3.252 11.428 4.312 1.00 0.00 C ATOM 634 NE ARG A 44 -3.914 11.626 5.599 1.00 0.00 N ATOM 635 CZ ARG A 44 -3.340 12.230 6.643 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.151 12.806 6.513 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -3.964 12.277 7.810 1.00 0.00 N ATOM 0 H ARG A 44 -5.895 9.535 5.077 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.638 11.956 3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.820 9.647 3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.373 10.363 1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.571 11.702 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.664 12.621 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.856 10.413 4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.401 12.105 4.242 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.869 11.284 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.672 12.789 5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.717 13.266 7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.885 11.851 7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.523 12.739 8.606 1.00 0.00 H new ATOM 651 N LEU A 45 -8.051 9.164 2.850 1.00 0.00 N ATOM 652 CA LEU A 45 -9.126 8.568 2.068 1.00 0.00 C ATOM 653 C LEU A 45 -10.439 9.296 2.347 1.00 0.00 C ATOM 654 O LEU A 45 -11.271 9.473 1.467 1.00 0.00 O ATOM 655 CB LEU A 45 -9.232 7.084 2.441 1.00 0.00 C ATOM 656 CG LEU A 45 -9.609 6.133 1.308 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.266 4.703 1.686 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.082 6.245 0.968 1.00 0.00 C ATOM 0 H LEU A 45 -7.613 8.519 3.508 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.915 8.658 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.275 6.764 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.971 6.982 3.235 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.035 6.415 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.540 4.035 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.196 4.624 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.816 4.422 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.322 5.556 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.678 5.995 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.307 7.265 0.656 1.00 0.00 H new ATOM 670 N ASN A 46 -10.574 9.751 3.581 1.00 0.00 N ATOM 671 CA ASN A 46 -11.758 10.471 4.042 1.00 0.00 C ATOM 672 C ASN A 46 -11.797 11.847 3.410 1.00 0.00 C ATOM 673 O ASN A 46 -12.859 12.352 3.046 1.00 0.00 O ATOM 674 CB ASN A 46 -11.738 10.593 5.570 1.00 0.00 C ATOM 675 CG ASN A 46 -12.906 11.385 6.142 1.00 0.00 C ATOM 676 OD1 ASN A 46 -12.754 12.078 7.145 1.00 0.00 O ATOM 677 ND2 ASN A 46 -14.079 11.281 5.531 1.00 0.00 N ATOM 0 H ASN A 46 -9.861 9.632 4.301 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.650 9.918 3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.742 9.593 6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.806 11.069 5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.889 11.785 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.171 10.697 4.700 1.00 0.00 H new ATOM 684 N ARG A 47 -10.617 12.436 3.285 1.00 0.00 N ATOM 685 CA ARG A 47 -10.447 13.704 2.613 1.00 0.00 C ATOM 686 C ARG A 47 -11.032 13.656 1.202 1.00 0.00 C ATOM 687 O ARG A 47 -11.463 14.681 0.667 1.00 0.00 O ATOM 688 CB ARG A 47 -8.956 14.056 2.597 1.00 0.00 C ATOM 689 CG ARG A 47 -8.373 14.355 1.221 1.00 0.00 C ATOM 690 CD ARG A 47 -6.910 14.746 1.330 1.00 0.00 C ATOM 691 NE ARG A 47 -6.271 14.883 0.027 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.986 14.607 -0.203 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.188 14.262 0.806 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.492 14.702 -1.431 1.00 0.00 N ATOM 0 H ARG A 47 -9.750 12.042 3.650 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.989 14.482 3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.797 14.924 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.399 13.229 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.473 13.479 0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.936 15.161 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.828 15.688 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.379 13.995 1.915 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.839 15.209 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.559 14.209 1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.206 14.051 0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.095 14.987 -2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.509 14.490 -1.603 1.00 0.00 H new ATOM 708 N PHE A 48 -11.069 12.468 0.601 1.00 0.00 N ATOM 709 CA PHE A 48 -11.684 12.338 -0.703 1.00 0.00 C ATOM 710 C PHE A 48 -13.100 11.783 -0.593 1.00 0.00 C ATOM 711 O PHE A 48 -14.067 12.476 -0.909 1.00 0.00 O ATOM 712 CB PHE A 48 -10.868 11.423 -1.616 1.00 0.00 C ATOM 713 CG PHE A 48 -9.504 11.934 -1.981 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.343 12.818 -3.036 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.383 11.511 -1.287 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.087 13.273 -3.388 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.124 11.961 -1.637 1.00 0.00 C ATOM 718 CZ PHE A 48 -6.977 12.844 -2.688 1.00 0.00 C ATOM 0 H PHE A 48 -10.688 11.606 0.990 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.718 13.339 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.757 10.455 -1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.433 11.255 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.208 13.155 -3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.494 10.822 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.973 13.964 -4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.257 11.623 -1.089 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.995 13.199 -2.962 1.00 0.00 H new ATOM 728 N LYS A 49 -13.215 10.562 -0.075 1.00 0.00 N ATOM 729 CA LYS A 49 -14.496 9.862 0.045 1.00 0.00 C ATOM 730 C LYS A 49 -14.343 8.701 1.011 1.00 0.00 C ATOM 731 O LYS A 49 -13.791 7.669 0.645 1.00 0.00 O ATOM 732 CB LYS A 49 -14.966 9.261 -1.297 1.00 0.00 C ATOM 733 CG LYS A 49 -15.111 10.240 -2.452 1.00 0.00 C ATOM 734 CD LYS A 49 -15.601 9.544 -3.715 1.00 0.00 C ATOM 735 CE LYS A 49 -17.017 9.005 -3.557 1.00 0.00 C ATOM 736 NZ LYS A 49 -18.015 10.099 -3.399 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.420 10.027 0.275 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.225 10.597 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.260 8.484 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.928 8.774 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.810 11.029 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.151 10.718 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.571 10.244 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.927 8.724 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.275 8.402 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.060 8.347 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.975 9.708 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.900 10.541 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.868 10.813 -4.141 1.00 0.00 H new ATOM 750 N ARG A 50 -14.821 8.834 2.229 1.00 0.00 N ATOM 751 CA ARG A 50 -14.766 7.714 3.144 1.00 0.00 C ATOM 752 C ARG A 50 -16.163 7.287 3.548 1.00 0.00 C ATOM 753 O ARG A 50 -16.820 7.936 4.360 1.00 0.00 O ATOM 754 CB ARG A 50 -13.935 8.039 4.383 1.00 0.00 C ATOM 755 CG ARG A 50 -13.618 6.818 5.235 1.00 0.00 C ATOM 756 CD ARG A 50 -12.709 7.163 6.402 1.00 0.00 C ATOM 757 NE ARG A 50 -13.345 8.079 7.347 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.746 8.559 8.437 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.505 8.191 8.736 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -13.391 9.403 9.232 1.00 0.00 N ATOM 0 H ARG A 50 -15.242 9.684 2.603 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.280 6.889 2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.002 8.509 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.472 8.768 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.546 6.388 5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.142 6.057 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.425 6.248 6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.791 7.613 6.024 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.305 8.368 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.007 7.539 8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.051 8.561 9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.346 9.685 9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.932 9.770 10.066 1.00 0.00 H new ATOM 774 N TYR A 51 -16.608 6.195 2.956 1.00 0.00 N ATOM 775 CA TYR A 51 -17.856 5.569 3.328 1.00 0.00 C ATOM 776 C TYR A 51 -17.631 4.795 4.622 1.00 0.00 C ATOM 777 O TYR A 51 -16.864 3.832 4.634 1.00 0.00 O ATOM 778 CB TYR A 51 -18.292 4.632 2.197 1.00 0.00 C ATOM 779 CG TYR A 51 -19.755 4.250 2.214 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.707 5.062 2.814 1.00 0.00 C ATOM 781 CD2 TYR A 51 -20.183 3.075 1.610 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.042 4.715 2.812 1.00 0.00 C ATOM 783 CE2 TYR A 51 -21.516 2.723 1.600 1.00 0.00 C ATOM 784 CZ TYR A 51 -22.442 3.545 2.203 1.00 0.00 C ATOM 785 OH TYR A 51 -23.773 3.197 2.195 1.00 0.00 O ATOM 0 H TYR A 51 -16.111 5.719 2.203 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.640 6.309 3.486 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.067 5.109 1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -17.694 3.722 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.398 5.981 3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -19.459 2.426 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.770 5.357 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -21.832 1.808 1.122 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.323 4.008 2.201 1.00 0.00 H new ATOM 795 N PRO A 52 -18.251 5.230 5.731 1.00 0.00 N ATOM 796 CA PRO A 52 -18.034 4.620 7.050 1.00 0.00 C ATOM 797 C PRO A 52 -18.348 3.131 7.051 1.00 0.00 C ATOM 798 O PRO A 52 -19.420 2.715 6.602 1.00 0.00 O ATOM 799 CB PRO A 52 -19.010 5.370 7.961 1.00 0.00 C ATOM 800 CG PRO A 52 -19.285 6.654 7.256 1.00 0.00 C ATOM 801 CD PRO A 52 -19.215 6.341 5.790 1.00 0.00 C ATOM 0 HA PRO A 52 -16.994 4.697 7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.926 4.799 8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -18.576 5.545 8.945 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.266 7.045 7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.553 7.414 7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.188 6.052 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.876 7.200 5.210 1.00 0.00 H new ATOM 809 N LYS A 53 -17.422 2.342 7.596 1.00 0.00 N ATOM 810 CA LYS A 53 -17.516 0.880 7.567 1.00 0.00 C ATOM 811 C LYS A 53 -18.787 0.386 8.236 1.00 0.00 C ATOM 812 O LYS A 53 -19.233 -0.722 7.972 1.00 0.00 O ATOM 813 CB LYS A 53 -16.304 0.227 8.237 1.00 0.00 C ATOM 814 CG LYS A 53 -15.279 -0.373 7.272 1.00 0.00 C ATOM 815 CD LYS A 53 -14.358 0.681 6.672 1.00 0.00 C ATOM 816 CE LYS A 53 -15.029 1.463 5.557 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.440 2.819 5.419 1.00 0.00 N1+ ATOM 0 H LYS A 53 -16.589 2.695 8.068 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.538 0.592 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.805 0.972 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.656 -0.559 8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.681 -1.117 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.801 -0.894 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.038 1.369 7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.460 0.199 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.925 0.922 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.097 1.547 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.149 3.467 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.142 3.165 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.616 2.777 4.786 1.00 0.00 H new ATOM 831 N ASP A 54 -19.352 1.205 9.113 1.00 0.00 N ATOM 832 CA ASP A 54 -20.615 0.884 9.769 1.00 0.00 C ATOM 833 C ASP A 54 -21.703 0.582 8.742 1.00 0.00 C ATOM 834 O ASP A 54 -22.510 -0.325 8.930 1.00 0.00 O ATOM 835 CB ASP A 54 -21.058 2.036 10.670 1.00 0.00 C ATOM 836 CG ASP A 54 -20.146 2.214 11.862 1.00 0.00 C ATOM 837 OD1 ASP A 54 -19.120 2.914 11.737 1.00 0.00 O1- ATOM 838 OD2 ASP A 54 -20.448 1.651 12.932 1.00 0.00 O ATOM 0 H ASP A 54 -18.953 2.103 9.389 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.458 -0.005 10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.080 2.959 10.091 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.075 1.853 11.017 1.00 0.00 H new ATOM 843 N ALA A 55 -21.708 1.340 7.652 1.00 0.00 N ATOM 844 CA ALA A 55 -22.671 1.128 6.582 1.00 0.00 C ATOM 845 C ALA A 55 -22.297 -0.102 5.767 1.00 0.00 C ATOM 846 O ALA A 55 -23.158 -0.854 5.318 1.00 0.00 O ATOM 847 CB ALA A 55 -22.749 2.358 5.691 1.00 0.00 C ATOM 0 H ALA A 55 -21.055 2.106 7.487 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.653 0.960 7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.473 2.185 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.060 3.218 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.770 2.554 5.254 1.00 0.00 H new ATOM 853 N LEU A 56 -20.999 -0.302 5.595 1.00 0.00 N ATOM 854 CA LEU A 56 -20.482 -1.439 4.847 1.00 0.00 C ATOM 855 C LEU A 56 -20.762 -2.749 5.589 1.00 0.00 C ATOM 856 O LEU A 56 -21.047 -3.765 4.967 1.00 0.00 O ATOM 857 CB LEU A 56 -18.969 -1.286 4.593 1.00 0.00 C ATOM 858 CG LEU A 56 -18.542 -0.204 3.580 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.279 -0.346 2.262 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.742 1.189 4.140 1.00 0.00 C ATOM 0 H LEU A 56 -20.278 0.315 5.968 1.00 0.00 H new ATOM 0 HA LEU A 56 -20.994 -1.468 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.484 -1.071 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.583 -2.246 4.249 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.478 -0.352 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.950 0.434 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.066 -1.323 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.351 -0.251 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.431 1.927 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.795 1.337 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.144 1.307 5.044 1.00 0.00 H new ATOM 872 N ARG A 57 -20.699 -2.707 6.922 1.00 0.00 N ATOM 873 CA ARG A 57 -20.935 -3.891 7.752 1.00 0.00 C ATOM 874 C ARG A 57 -22.276 -4.551 7.436 1.00 0.00 C ATOM 875 O ARG A 57 -22.386 -5.778 7.413 1.00 0.00 O ATOM 876 CB ARG A 57 -20.891 -3.535 9.243 1.00 0.00 C ATOM 877 CG ARG A 57 -19.503 -3.190 9.755 1.00 0.00 C ATOM 878 CD ARG A 57 -19.460 -3.152 11.278 1.00 0.00 C ATOM 879 NE ARG A 57 -20.071 -1.943 11.841 1.00 0.00 N ATOM 880 CZ ARG A 57 -20.830 -1.935 12.940 1.00 0.00 C ATOM 881 NH1 ARG A 57 -21.180 -3.073 13.519 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -21.242 -0.785 13.457 1.00 0.00 N ATOM 0 H ARG A 57 -20.486 -1.862 7.452 1.00 0.00 H new ATOM 0 HA ARG A 57 -20.137 -4.597 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -21.554 -2.689 9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -21.281 -4.375 9.818 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.786 -3.925 9.388 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.198 -2.222 9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.974 -4.029 11.672 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.423 -3.215 11.608 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.906 -1.056 11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -20.870 -3.962 13.126 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -21.760 -3.061 14.358 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.979 0.096 13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -21.822 -0.782 14.296 1.00 0.00 H new ATOM 896 N LEU A 58 -23.291 -3.737 7.198 1.00 0.00 N ATOM 897 CA LEU A 58 -24.625 -4.251 6.927 1.00 0.00 C ATOM 898 C LEU A 58 -24.876 -4.376 5.429 1.00 0.00 C ATOM 899 O LEU A 58 -25.712 -5.170 4.995 1.00 0.00 O ATOM 900 CB LEU A 58 -25.697 -3.352 7.560 1.00 0.00 C ATOM 901 CG LEU A 58 -25.810 -3.411 9.091 1.00 0.00 C ATOM 902 CD1 LEU A 58 -24.596 -2.782 9.763 1.00 0.00 C ATOM 903 CD2 LEU A 58 -27.084 -2.720 9.551 1.00 0.00 C ATOM 0 H LEU A 58 -23.218 -2.720 7.187 1.00 0.00 H new ATOM 0 HA LEU A 58 -24.688 -5.244 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.495 -2.321 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -26.664 -3.619 7.134 1.00 0.00 H new ATOM 0 HG LEU A 58 -25.848 -4.460 9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -24.708 -2.841 10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -23.695 -3.317 9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -24.514 -1.737 9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -27.152 -2.769 10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -27.067 -1.677 9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -27.948 -3.218 9.111 1.00 0.00 H new ATOM 915 N LYS A 59 -24.143 -3.609 4.637 1.00 0.00 N ATOM 916 CA LYS A 59 -24.375 -3.580 3.203 1.00 0.00 C ATOM 917 C LYS A 59 -23.196 -4.166 2.423 1.00 0.00 C ATOM 918 O LYS A 59 -23.215 -5.338 2.046 1.00 0.00 O ATOM 919 CB LYS A 59 -24.694 -2.148 2.750 1.00 0.00 C ATOM 920 CG LYS A 59 -24.892 -1.999 1.249 1.00 0.00 C ATOM 921 CD LYS A 59 -25.795 -0.819 0.918 1.00 0.00 C ATOM 922 CE LYS A 59 -25.196 0.503 1.375 1.00 0.00 C ATOM 923 NZ LYS A 59 -24.695 1.319 0.236 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.389 -3.003 4.960 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.236 -4.212 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.596 -1.810 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.884 -1.490 3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.925 -1.865 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.326 -2.914 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -25.969 -0.786 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -26.766 -0.961 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.949 1.070 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.377 0.308 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.251 2.186 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.995 0.770 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -25.489 1.571 -0.386 1.00 0.00 H new ATOM 937 N ARG A 60 -22.160 -3.376 2.196 1.00 0.00 N ATOM 938 CA ARG A 60 -21.062 -3.823 1.351 1.00 0.00 C ATOM 939 C ARG A 60 -19.861 -4.229 2.175 1.00 0.00 C ATOM 940 O ARG A 60 -18.925 -3.458 2.364 1.00 0.00 O ATOM 941 CB ARG A 60 -20.669 -2.737 0.354 1.00 0.00 C ATOM 942 CG ARG A 60 -21.777 -2.392 -0.614 1.00 0.00 C ATOM 943 CD ARG A 60 -22.187 -3.604 -1.423 1.00 0.00 C ATOM 944 NE ARG A 60 -23.423 -3.373 -2.158 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.415 -4.257 -2.240 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.334 -5.412 -1.589 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.498 -3.973 -2.951 1.00 0.00 N ATOM 0 H ARG A 60 -22.055 -2.436 2.578 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.409 -4.698 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.379 -1.839 0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.794 -3.066 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.637 -2.008 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.446 -1.598 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.391 -3.860 -2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.314 -4.458 -0.758 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.535 -2.480 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.511 -5.623 -1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.095 -6.088 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.570 -3.078 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.258 -4.650 -3.014 1.00 0.00 H new ATOM 961 N GLN A 61 -19.892 -5.451 2.655 1.00 0.00 N ATOM 962 CA GLN A 61 -18.751 -6.013 3.333 1.00 0.00 C ATOM 963 C GLN A 61 -18.058 -7.018 2.430 1.00 0.00 C ATOM 964 O GLN A 61 -18.706 -7.726 1.665 1.00 0.00 O ATOM 965 CB GLN A 61 -19.139 -6.620 4.687 1.00 0.00 C ATOM 966 CG GLN A 61 -20.575 -7.121 4.823 1.00 0.00 C ATOM 967 CD GLN A 61 -20.877 -8.365 4.011 1.00 0.00 C ATOM 968 OE1 GLN A 61 -20.599 -9.483 4.443 1.00 0.00 O ATOM 969 NE2 GLN A 61 -21.522 -8.187 2.873 1.00 0.00 N ATOM 0 H GLN A 61 -20.697 -6.074 2.587 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.045 -5.212 3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.466 -7.453 4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.965 -5.871 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.778 -7.328 5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.256 -6.327 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.734 -7.243 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -21.809 -8.993 2.318 1.00 0.00 H new ATOM 978 N GLY A 62 -16.745 -7.059 2.519 1.00 0.00 N ATOM 979 CA GLY A 62 -15.950 -7.817 1.580 1.00 0.00 C ATOM 980 C GLY A 62 -14.503 -7.384 1.597 1.00 0.00 C ATOM 981 O GLY A 62 -14.209 -6.193 1.541 1.00 0.00 O ATOM 0 H GLY A 62 -16.205 -6.574 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.015 -8.878 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.355 -7.693 0.576 1.00 0.00 H new ATOM 985 N VAL A 63 -13.594 -8.340 1.673 1.00 0.00 N ATOM 986 CA VAL A 63 -12.178 -8.021 1.749 1.00 0.00 C ATOM 987 C VAL A 63 -11.496 -8.266 0.413 1.00 0.00 C ATOM 988 O VAL A 63 -11.587 -9.357 -0.156 1.00 0.00 O ATOM 989 CB VAL A 63 -11.461 -8.849 2.836 1.00 0.00 C ATOM 990 CG1 VAL A 63 -9.986 -8.480 2.911 1.00 0.00 C ATOM 991 CG2 VAL A 63 -12.125 -8.653 4.186 1.00 0.00 C ATOM 0 H VAL A 63 -13.808 -9.337 1.684 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.108 -6.965 2.010 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.538 -9.902 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.501 -9.076 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.512 -8.677 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.888 -7.422 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.603 -9.246 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.084 -7.599 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.165 -8.973 4.130 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.827 -7.242 -0.086 1.00 0.00 N ATOM 1002 CA GLY A 64 -10.039 -7.382 -1.286 1.00 0.00 C ATOM 1003 C GLY A 64 -8.678 -6.751 -1.112 1.00 0.00 C ATOM 1004 O GLY A 64 -8.459 -5.990 -0.170 1.00 0.00 O ATOM 0 H GLY A 64 -10.817 -6.308 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.926 -8.438 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.557 -6.914 -2.123 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.756 -7.068 -1.997 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.443 -6.453 -1.959 1.00 0.00 C ATOM 1010 C GLN A 65 -6.247 -5.629 -3.210 1.00 0.00 C ATOM 1011 O GLN A 65 -6.446 -6.119 -4.320 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.340 -7.504 -1.819 1.00 0.00 C ATOM 1013 CG GLN A 65 -5.388 -8.251 -0.495 1.00 0.00 C ATOM 1014 CD GLN A 65 -4.276 -9.272 -0.353 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -4.434 -10.432 -0.735 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -3.147 -8.854 0.202 1.00 0.00 N ATOM 0 H GLN A 65 -7.889 -7.745 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.380 -5.805 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.424 -8.220 -2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.369 -7.018 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.323 -7.534 0.323 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.350 -8.754 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.056 -7.884 0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.369 -9.502 0.326 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.884 -4.373 -3.035 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.769 -3.453 -4.151 1.00 0.00 C ATOM 1027 C VAL A 66 -4.334 -2.948 -4.293 1.00 0.00 C ATOM 1028 O VAL A 66 -3.644 -2.694 -3.306 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.734 -2.259 -3.983 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -8.185 -2.705 -3.994 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -6.459 -1.548 -2.691 1.00 0.00 C ATOM 0 H VAL A 66 -5.663 -3.965 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.040 -3.995 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.567 -1.588 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.833 -1.837 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.408 -3.195 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.357 -3.403 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.146 -0.708 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.598 -2.238 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.433 -1.180 -2.689 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.887 -2.849 -5.531 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.549 -2.377 -5.844 1.00 0.00 C ATOM 1043 C ARG A 67 -2.653 -1.045 -6.560 1.00 0.00 C ATOM 1044 O ARG A 67 -3.513 -0.872 -7.422 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.829 -3.389 -6.741 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.372 -3.055 -6.998 1.00 0.00 C ATOM 1047 CD ARG A 67 0.208 -3.923 -8.100 1.00 0.00 C ATOM 1048 NE ARG A 67 -0.467 -3.699 -9.378 1.00 0.00 N ATOM 1049 CZ ARG A 67 -0.058 -4.204 -10.541 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.039 -4.948 -10.597 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 -0.738 -3.948 -11.652 1.00 0.00 N ATOM 0 H ARG A 67 -4.442 -3.094 -6.351 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.980 -2.260 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.890 -4.375 -6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.352 -3.450 -7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.281 -2.004 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.202 -3.195 -6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.272 -3.711 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.119 -4.973 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.306 -3.118 -9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.572 -5.135 -9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.349 -5.333 -11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.574 -3.365 -11.615 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.425 -4.335 -12.542 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.792 -0.109 -6.210 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.845 1.212 -6.803 1.00 0.00 C ATOM 1067 C PHE A 68 -0.500 1.911 -6.761 1.00 0.00 C ATOM 1068 O PHE A 68 0.314 1.680 -5.867 1.00 0.00 O ATOM 1069 CB PHE A 68 -2.907 2.081 -6.113 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.115 1.782 -4.655 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.063 1.820 -3.754 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.378 1.459 -4.190 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.269 1.542 -2.419 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.589 1.181 -2.857 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.537 1.222 -1.970 1.00 0.00 C ATOM 0 H PHE A 68 -1.051 -0.238 -5.521 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.119 1.076 -7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.624 3.128 -6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.856 1.954 -6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.071 2.070 -4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.208 1.424 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.442 1.574 -1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.580 0.931 -2.508 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.702 1.005 -0.925 1.00 0.00 H new ATOM 1085 N THR A 69 -0.274 2.742 -7.760 1.00 0.00 N ATOM 1086 CA THR A 69 0.856 3.651 -7.769 1.00 0.00 C ATOM 1087 C THR A 69 0.397 4.977 -7.199 1.00 0.00 C ATOM 1088 O THR A 69 -0.637 5.504 -7.613 1.00 0.00 O ATOM 1089 CB THR A 69 1.393 3.856 -9.192 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.558 2.588 -9.831 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.724 4.588 -9.164 1.00 0.00 C ATOM 0 H THR A 69 -0.867 2.806 -8.587 1.00 0.00 H new ATOM 0 HA THR A 69 1.663 3.230 -7.169 1.00 0.00 H new ATOM 0 HB THR A 69 0.676 4.458 -9.749 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.899 2.722 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.087 4.723 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.593 5.562 -8.693 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.448 4.005 -8.595 1.00 0.00 H new ATOM 1099 N LEU A 70 1.139 5.498 -6.243 1.00 0.00 N ATOM 1100 CA LEU A 70 0.686 6.652 -5.488 1.00 0.00 C ATOM 1101 C LEU A 70 1.649 7.819 -5.605 1.00 0.00 C ATOM 1102 O LEU A 70 2.868 7.649 -5.547 1.00 0.00 O ATOM 1103 CB LEU A 70 0.515 6.254 -4.029 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.392 5.047 -3.811 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.337 4.596 -2.365 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.816 5.378 -4.224 1.00 0.00 C ATOM 0 H LEU A 70 2.056 5.143 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.268 6.981 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.496 6.038 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.110 7.103 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.038 4.225 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.990 3.734 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.686 4.321 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.667 5.408 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.453 4.508 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.184 6.212 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.835 5.651 -5.279 1.00 0.00 H new ATOM 1118 N ASP A 71 1.087 9.002 -5.792 1.00 0.00 N ATOM 1119 CA ASP A 71 1.869 10.226 -5.835 1.00 0.00 C ATOM 1120 C ASP A 71 2.124 10.722 -4.417 1.00 0.00 C ATOM 1121 O ASP A 71 1.417 10.321 -3.492 1.00 0.00 O ATOM 1122 CB ASP A 71 1.132 11.300 -6.643 1.00 0.00 C ATOM 1123 CG ASP A 71 1.981 12.534 -6.905 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.068 13.403 -6.013 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 2.572 12.640 -8.001 1.00 0.00 O ATOM 0 H ASP A 71 0.084 9.140 -5.917 1.00 0.00 H new ATOM 0 HA ASP A 71 2.823 10.020 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.814 10.876 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.229 11.594 -6.108 1.00 0.00 H new ATOM 1130 N ARG A 72 3.108 11.591 -4.245 1.00 0.00 N ATOM 1131 CA ARG A 72 3.470 12.088 -2.919 1.00 0.00 C ATOM 1132 C ARG A 72 2.262 12.698 -2.194 1.00 0.00 C ATOM 1133 O ARG A 72 2.115 12.547 -0.979 1.00 0.00 O ATOM 1134 CB ARG A 72 4.608 13.120 -3.011 1.00 0.00 C ATOM 1135 CG ARG A 72 4.177 14.508 -3.476 1.00 0.00 C ATOM 1136 CD ARG A 72 5.026 15.004 -4.632 1.00 0.00 C ATOM 1137 NE ARG A 72 4.674 14.353 -5.893 1.00 0.00 N ATOM 1138 CZ ARG A 72 5.465 14.327 -6.964 1.00 0.00 C ATOM 1139 NH1 ARG A 72 6.650 14.935 -6.937 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 5.060 13.709 -8.065 1.00 0.00 N ATOM 0 H ARG A 72 3.673 11.969 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 72 3.816 11.233 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.078 13.210 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.368 12.742 -3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.130 14.481 -3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.250 15.209 -2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.903 16.082 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.078 14.823 -4.412 1.00 0.00 H new ATOM 0 HE ARG A 72 3.767 13.890 -5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.954 15.422 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.253 14.913 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.146 13.256 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.662 13.686 -8.888 1.00 0.00 H new ATOM 1154 N GLN A 73 1.385 13.358 -2.948 1.00 0.00 N ATOM 1155 CA GLN A 73 0.233 14.037 -2.363 1.00 0.00 C ATOM 1156 C GLN A 73 -0.953 13.092 -2.224 1.00 0.00 C ATOM 1157 O GLN A 73 -2.076 13.523 -1.961 1.00 0.00 O ATOM 1158 CB GLN A 73 -0.168 15.246 -3.211 1.00 0.00 C ATOM 1159 CG GLN A 73 -0.534 14.900 -4.647 1.00 0.00 C ATOM 1160 CD GLN A 73 -1.150 16.069 -5.390 1.00 0.00 C ATOM 1161 OE1 GLN A 73 -0.453 16.874 -6.011 1.00 0.00 O ATOM 1162 NE2 GLN A 73 -2.467 16.170 -5.337 1.00 0.00 N ATOM 0 H GLN A 73 1.451 13.436 -3.963 1.00 0.00 H new ATOM 0 HA GLN A 73 0.523 14.377 -1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.017 15.742 -2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.655 15.961 -3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.360 14.568 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.234 14.064 -4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.010 15.484 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.940 16.934 -5.820 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.700 11.806 -2.402 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.761 10.828 -2.325 1.00 0.00 C ATOM 1173 C GLY A 74 -2.624 10.837 -3.561 1.00 0.00 C ATOM 1174 O GLY A 74 -3.831 10.628 -3.494 1.00 0.00 O ATOM 0 H GLY A 74 0.224 11.422 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.331 9.836 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.378 11.030 -1.450 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.999 11.105 -4.691 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.696 11.100 -5.962 1.00 0.00 C ATOM 1180 C HIS A 75 -2.583 9.725 -6.601 1.00 0.00 C ATOM 1181 O HIS A 75 -1.513 9.345 -7.077 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.122 12.185 -6.890 1.00 0.00 C ATOM 1183 CG HIS A 75 -2.650 12.143 -8.297 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -3.788 12.804 -8.701 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.170 11.522 -9.399 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -3.992 12.582 -9.987 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.021 11.807 -10.436 1.00 0.00 N ATOM 0 H HIS A 75 -1.006 11.330 -4.754 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.750 11.322 -5.796 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.340 13.164 -6.462 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.037 12.084 -6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.280 10.913 -9.452 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.813 12.969 -10.572 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.921 11.475 -11.395 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.671 8.967 -6.552 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.757 7.691 -7.242 1.00 0.00 C ATOM 1198 C VAL A 76 -3.302 7.813 -8.702 1.00 0.00 C ATOM 1199 O VAL A 76 -3.813 8.634 -9.470 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.192 7.118 -7.179 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.205 8.065 -7.812 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.247 5.753 -7.838 1.00 0.00 C ATOM 0 H VAL A 76 -4.513 9.220 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.085 7.002 -6.730 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.460 7.010 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.201 7.627 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.193 9.018 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.946 8.228 -8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.264 5.364 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.946 5.841 -8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.571 5.072 -7.321 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.312 7.013 -9.061 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.749 7.031 -10.400 1.00 0.00 C ATOM 1214 C LEU A 77 -2.166 5.782 -11.173 1.00 0.00 C ATOM 1215 O LEU A 77 -2.546 5.857 -12.344 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.224 7.130 -10.309 1.00 0.00 C ATOM 1217 CG LEU A 77 0.294 8.413 -9.652 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.662 8.189 -9.029 1.00 0.00 C ATOM 1219 CD2 LEU A 77 0.358 9.536 -10.675 1.00 0.00 C ATOM 0 H LEU A 77 -1.877 6.335 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.129 7.899 -10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.150 6.274 -9.748 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.192 7.059 -11.314 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.398 8.695 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.008 9.115 -8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.593 7.410 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.367 7.882 -9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.728 10.443 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.031 9.253 -11.485 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.638 9.718 -11.078 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.113 4.641 -10.503 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.505 3.368 -11.104 1.00 0.00 C ATOM 1233 C ALA A 78 -3.397 2.598 -10.146 1.00 0.00 C ATOM 1234 O ALA A 78 -3.305 2.794 -8.939 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.277 2.539 -11.455 1.00 0.00 C ATOM 0 H ALA A 78 -1.800 4.567 -9.535 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.056 3.572 -12.022 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.591 1.595 -11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.658 3.088 -12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.702 2.340 -10.551 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.254 1.734 -10.679 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.150 0.926 -9.863 1.00 0.00 C ATOM 1243 C VAL A 79 -5.260 -0.488 -10.418 1.00 0.00 C ATOM 1244 O VAL A 79 -5.469 -0.691 -11.613 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.570 1.535 -9.762 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.567 2.771 -8.883 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -7.131 1.866 -11.140 1.00 0.00 C ATOM 0 H VAL A 79 -4.346 1.575 -11.682 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.715 0.903 -8.864 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.216 0.786 -9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.576 3.181 -8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.228 2.505 -7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.895 3.517 -9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.129 2.292 -11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.480 2.587 -11.634 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.186 0.957 -11.738 1.00 0.00 H new ATOM 1257 N THR A 80 -5.068 -1.467 -9.555 1.00 0.00 N ATOM 1258 CA THR A 80 -5.232 -2.862 -9.923 1.00 0.00 C ATOM 1259 C THR A 80 -5.788 -3.647 -8.742 1.00 0.00 C ATOM 1260 O THR A 80 -5.176 -3.670 -7.679 1.00 0.00 O ATOM 1261 CB THR A 80 -3.887 -3.488 -10.348 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.227 -2.652 -11.309 1.00 0.00 O ATOM 1263 CG2 THR A 80 -4.094 -4.873 -10.941 1.00 0.00 C ATOM 0 H THR A 80 -4.795 -1.320 -8.583 1.00 0.00 H new ATOM 0 HA THR A 80 -5.924 -2.906 -10.764 1.00 0.00 H new ATOM 0 HB THR A 80 -3.265 -3.576 -9.457 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.373 -3.010 -12.209 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.131 -5.292 -11.232 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.562 -5.520 -10.199 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.738 -4.801 -11.817 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.945 -4.269 -8.900 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.439 -5.162 -7.866 1.00 0.00 C ATOM 1273 C LEU A 81 -6.611 -6.435 -7.891 1.00 0.00 C ATOM 1274 O LEU A 81 -6.720 -7.242 -8.817 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.917 -5.499 -8.054 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.513 -6.351 -6.932 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.691 -5.524 -5.669 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.834 -6.968 -7.369 1.00 0.00 C ATOM 0 H LEU A 81 -7.549 -4.175 -9.717 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.346 -4.660 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.483 -4.571 -8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.041 -6.026 -9.000 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.819 -7.162 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.116 -6.148 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.723 -5.141 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.362 -4.689 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.241 -7.570 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.539 -6.176 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.669 -7.600 -8.242 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.776 -6.602 -6.883 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.817 -7.702 -6.870 1.00 0.00 C ATOM 1292 C VAL A 82 -5.481 -8.994 -6.430 1.00 0.00 C ATOM 1293 O VAL A 82 -5.249 -10.056 -7.007 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.638 -7.409 -5.925 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.328 -7.895 -6.521 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.568 -5.932 -5.610 1.00 0.00 C ATOM 0 H VAL A 82 -5.738 -5.996 -6.064 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.443 -7.808 -7.888 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.804 -7.953 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.512 -7.675 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.382 -8.971 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.149 -7.388 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.729 -5.742 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.430 -5.369 -6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.494 -5.618 -5.129 1.00 0.00 H new ATOM 1306 N SER A 83 -6.318 -8.900 -5.412 1.00 0.00 N ATOM 1307 CA SER A 83 -6.956 -10.073 -4.854 1.00 0.00 C ATOM 1308 C SER A 83 -8.405 -9.766 -4.501 1.00 0.00 C ATOM 1309 O SER A 83 -8.732 -8.640 -4.124 1.00 0.00 O ATOM 1310 CB SER A 83 -6.195 -10.536 -3.610 1.00 0.00 C ATOM 1311 OG SER A 83 -6.585 -11.841 -3.216 1.00 0.00 O ATOM 0 H SER A 83 -6.570 -8.023 -4.957 1.00 0.00 H new ATOM 0 HA SER A 83 -6.941 -10.871 -5.596 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.124 -10.521 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.376 -9.839 -2.792 1.00 0.00 H new ATOM 0 HG SER A 83 -6.079 -12.107 -2.420 1.00 0.00 H new ATOM 1317 N SER A 84 -9.260 -10.765 -4.629 1.00 0.00 N ATOM 1318 CA SER A 84 -10.669 -10.614 -4.316 1.00 0.00 C ATOM 1319 C SER A 84 -11.194 -11.888 -3.673 1.00 0.00 C ATOM 1320 O SER A 84 -10.945 -12.989 -4.167 1.00 0.00 O ATOM 1321 CB SER A 84 -11.459 -10.288 -5.589 1.00 0.00 C ATOM 1322 OG SER A 84 -12.861 -10.313 -5.359 1.00 0.00 O ATOM 0 H SER A 84 -8.999 -11.697 -4.951 1.00 0.00 H new ATOM 0 HA SER A 84 -10.794 -9.791 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.168 -9.304 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.205 -11.006 -6.369 1.00 0.00 H new ATOM 0 HG SER A 84 -13.333 -10.099 -6.191 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.906 -11.737 -2.564 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.486 -12.875 -1.865 1.00 0.00 C ATOM 1330 C ALA A 85 -13.884 -13.180 -2.391 1.00 0.00 C ATOM 1331 O ALA A 85 -14.666 -13.879 -1.746 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.525 -12.608 -0.366 1.00 0.00 C ATOM 0 H ALA A 85 -12.096 -10.834 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.859 -13.747 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.961 -13.466 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.512 -12.443 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.130 -11.723 -0.170 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.195 -12.657 -3.568 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.492 -12.889 -4.154 1.00 0.00 C ATOM 1340 C GLY A 86 -16.458 -11.776 -3.841 1.00 0.00 C ATOM 1341 O GLY A 86 -17.433 -11.985 -3.129 1.00 0.00 O ATOM 0 H GLY A 86 -13.569 -12.076 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.390 -12.987 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.894 -13.833 -3.785 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.193 -10.586 -4.355 1.00 0.00 N ATOM 1346 CA LEU A 87 -17.069 -9.453 -4.094 1.00 0.00 C ATOM 1347 C LEU A 87 -17.787 -9.042 -5.379 1.00 0.00 C ATOM 1348 O LEU A 87 -17.281 -8.220 -6.138 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.294 -8.245 -3.532 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.351 -8.491 -2.336 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.928 -9.507 -1.364 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.966 -8.912 -2.804 1.00 0.00 C ATOM 0 H LEU A 87 -15.389 -10.379 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.795 -9.767 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.703 -7.819 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -17.021 -7.489 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.254 -7.545 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.235 -9.653 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.881 -9.143 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.083 -10.455 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.324 -9.078 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.042 -9.833 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.538 -8.127 -3.427 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.970 -9.617 -5.649 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.735 -9.321 -6.861 1.00 0.00 C ATOM 1366 C PRO A 88 -20.391 -7.946 -6.795 1.00 0.00 C ATOM 1367 O PRO A 88 -19.943 -7.001 -7.439 1.00 0.00 O ATOM 1368 CB PRO A 88 -20.803 -10.427 -6.911 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.451 -11.387 -5.818 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.654 -10.609 -4.813 1.00 0.00 C ATOM 0 HA PRO A 88 -19.100 -9.300 -7.747 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.800 -10.014 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.806 -10.924 -7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.349 -11.804 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.873 -12.225 -6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.292 -10.138 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.948 -11.243 -4.276 1.00 0.00 H new ATOM 1378 N SER A 89 -21.446 -7.844 -5.999 1.00 0.00 N ATOM 1379 CA SER A 89 -22.153 -6.586 -5.807 1.00 0.00 C ATOM 1380 C SER A 89 -21.345 -5.654 -4.910 1.00 0.00 C ATOM 1381 O SER A 89 -21.562 -4.441 -4.882 1.00 0.00 O ATOM 1382 CB SER A 89 -23.509 -6.870 -5.165 1.00 0.00 C ATOM 1383 OG SER A 89 -24.105 -8.021 -5.739 1.00 0.00 O ATOM 0 H SER A 89 -21.834 -8.626 -5.471 1.00 0.00 H new ATOM 0 HA SER A 89 -22.293 -6.102 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.385 -7.015 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 89 -24.166 -6.010 -5.296 1.00 0.00 H new ATOM 0 HG SER A 89 -24.972 -8.187 -5.313 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.418 -6.248 -4.174 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.668 -5.542 -3.146 1.00 0.00 C ATOM 1391 C LEU A 90 -18.577 -4.656 -3.748 1.00 0.00 C ATOM 1392 O LEU A 90 -18.408 -3.509 -3.332 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.056 -6.556 -2.168 1.00 0.00 C ATOM 1394 CG LEU A 90 -20.020 -7.639 -1.679 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.242 -8.832 -1.161 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.938 -7.090 -0.597 1.00 0.00 C ATOM 0 H LEU A 90 -20.165 -7.231 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.357 -4.889 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.206 -7.038 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.668 -6.017 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.637 -7.961 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.937 -9.597 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.623 -9.238 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.605 -8.520 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.616 -7.875 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.340 -6.743 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.516 -6.258 -0.998 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.878 -5.189 -4.748 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.674 -4.558 -5.300 1.00 0.00 C ATOM 1410 C ASP A 91 -16.925 -3.122 -5.753 1.00 0.00 C ATOM 1411 O ASP A 91 -16.208 -2.209 -5.358 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.153 -5.388 -6.474 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.882 -4.831 -7.083 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -13.796 -5.051 -6.512 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -14.962 -4.192 -8.157 1.00 0.00 O1- ATOM 0 H ASP A 91 -18.127 -6.069 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.929 -4.521 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.969 -6.408 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.924 -5.441 -7.243 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.969 -2.929 -6.540 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.257 -1.627 -7.145 1.00 0.00 C ATOM 1422 C ARG A 92 -18.316 -0.498 -6.115 1.00 0.00 C ATOM 1423 O ARG A 92 -17.763 0.577 -6.340 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.577 -1.706 -7.911 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.727 -2.233 -7.067 1.00 0.00 C ATOM 1426 CD ARG A 92 -21.864 -2.746 -7.923 1.00 0.00 C ATOM 1427 NE ARG A 92 -21.406 -3.763 -8.867 1.00 0.00 N ATOM 1428 CZ ARG A 92 -22.165 -4.293 -9.821 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -23.432 -3.927 -9.948 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -21.651 -5.190 -10.652 1.00 0.00 N ATOM 0 H ARG A 92 -18.640 -3.659 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.438 -1.392 -7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.833 -0.715 -8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.447 -2.350 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.367 -3.035 -6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.092 -1.440 -6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.642 -3.165 -7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.313 -1.916 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 92 -20.442 -4.087 -8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -23.829 -3.235 -9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -24.010 -4.337 -10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -20.675 -5.472 -10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -22.232 -5.598 -11.385 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.981 -0.742 -4.994 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.133 0.255 -3.958 1.00 0.00 C ATOM 1446 C GLU A 93 -17.860 0.411 -3.131 1.00 0.00 C ATOM 1447 O GLU A 93 -17.336 1.523 -2.977 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.306 -0.131 -3.069 1.00 0.00 C ATOM 1449 CG GLU A 93 -21.629 0.492 -3.501 1.00 0.00 C ATOM 1450 CD GLU A 93 -22.811 -0.017 -2.704 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -23.025 0.461 -1.573 1.00 0.00 O ATOM 1452 OE2 GLU A 93 -23.533 -0.905 -3.209 1.00 0.00 O1- ATOM 0 H GLU A 93 -19.427 -1.635 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.326 1.219 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.408 -1.216 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.089 0.170 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.566 1.575 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.794 0.284 -4.558 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.360 -0.706 -2.607 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.187 -0.678 -1.736 1.00 0.00 C ATOM 1461 C ILE A 94 -14.966 -0.106 -2.454 1.00 0.00 C ATOM 1462 O ILE A 94 -14.159 0.599 -1.847 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.842 -2.070 -1.147 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.455 -3.061 -2.246 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -17.013 -2.603 -0.334 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.059 -4.427 -1.723 1.00 0.00 C ATOM 0 H ILE A 94 -17.746 -1.636 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.452 -0.022 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.981 -1.953 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.294 -3.174 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.626 -2.647 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.758 -3.581 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.232 -1.915 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.889 -2.695 -0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.798 -5.075 -2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.200 -4.328 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.894 -4.862 -1.173 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.823 -0.386 -3.743 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.722 0.174 -4.480 1.00 0.00 C ATOM 1480 C GLN A 95 -14.035 1.579 -4.944 1.00 0.00 C ATOM 1481 O GLN A 95 -13.147 2.334 -5.249 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.371 -0.645 -5.701 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.293 -2.146 -5.480 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.214 -2.557 -4.510 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.212 -1.867 -4.347 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.398 -3.707 -3.888 1.00 0.00 N ATOM 0 H GLN A 95 -15.447 -0.986 -4.282 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.876 0.176 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.112 -0.447 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.410 -0.301 -6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.256 -2.501 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.116 -2.637 -6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.247 -4.247 -4.055 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.691 -4.056 -3.241 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.295 1.925 -5.028 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.657 3.263 -5.486 1.00 0.00 C ATOM 1497 C ALA A 96 -14.942 4.315 -4.649 1.00 0.00 C ATOM 1498 O ALA A 96 -14.204 5.152 -5.185 1.00 0.00 O ATOM 1499 CB ALA A 96 -17.161 3.472 -5.418 1.00 0.00 C ATOM 0 H ALA A 96 -16.081 1.320 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 96 -15.346 3.364 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -17.405 4.476 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.659 2.739 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.499 3.351 -4.389 1.00 0.00 H new ATOM 1505 N LEU A 97 -15.098 4.231 -3.335 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.420 5.176 -2.460 1.00 0.00 C ATOM 1507 C LEU A 97 -12.925 4.849 -2.327 1.00 0.00 C ATOM 1508 O LEU A 97 -12.083 5.736 -2.453 1.00 0.00 O ATOM 1509 CB LEU A 97 -15.140 5.346 -1.093 1.00 0.00 C ATOM 1510 CG LEU A 97 -15.165 4.191 -0.062 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.700 2.881 -0.617 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.818 4.013 0.623 1.00 0.00 C ATOM 0 H LEU A 97 -15.674 3.536 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.477 6.155 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.690 6.207 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -16.176 5.607 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.884 4.496 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.686 2.122 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.723 3.024 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.075 2.556 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.879 3.193 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.057 3.787 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.552 4.931 1.146 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.604 3.579 -2.104 1.00 0.00 N ATOM 1525 CA VAL A 98 -11.205 3.140 -1.963 1.00 0.00 C ATOM 1526 C VAL A 98 -10.362 3.369 -3.230 1.00 0.00 C ATOM 1527 O VAL A 98 -9.267 3.931 -3.163 1.00 0.00 O ATOM 1528 CB VAL A 98 -11.130 1.641 -1.592 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.724 1.084 -1.802 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.570 1.426 -0.152 1.00 0.00 C ATOM 0 H VAL A 98 -13.289 2.828 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.789 3.755 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.808 1.102 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.707 0.028 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.441 1.195 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.019 1.630 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.511 0.365 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.918 1.989 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.597 1.770 -0.030 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.878 2.944 -4.374 1.00 0.00 N ATOM 1541 CA LYS A 99 -10.095 2.897 -5.605 1.00 0.00 C ATOM 1542 C LYS A 99 -9.813 4.298 -6.132 1.00 0.00 C ATOM 1543 O LYS A 99 -8.747 4.548 -6.690 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.813 2.070 -6.687 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.877 1.486 -7.733 1.00 0.00 C ATOM 1546 CD LYS A 99 -8.996 0.401 -7.137 1.00 0.00 C ATOM 1547 CE LYS A 99 -9.807 -0.822 -6.749 1.00 0.00 C ATOM 1548 NZ LYS A 99 -10.359 -1.517 -7.943 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.841 2.625 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.146 2.416 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.359 1.258 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.550 2.701 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.460 1.073 -8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.253 2.277 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.229 0.117 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.480 0.791 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.179 -1.511 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.624 -0.524 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.699 -2.461 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.149 -0.964 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.615 -1.613 -8.664 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.763 5.218 -5.974 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.534 6.573 -6.449 1.00 0.00 C ATOM 1564 C ARG A 100 -9.696 7.364 -5.450 1.00 0.00 C ATOM 1565 O ARG A 100 -8.873 8.192 -5.840 1.00 0.00 O ATOM 1566 CB ARG A 100 -11.843 7.308 -6.744 1.00 0.00 C ATOM 1567 CG ARG A 100 -11.626 8.723 -7.277 1.00 0.00 C ATOM 1568 CD ARG A 100 -10.824 8.716 -8.574 1.00 0.00 C ATOM 1569 NE ARG A 100 -10.259 10.025 -8.896 1.00 0.00 N ATOM 1570 CZ ARG A 100 -9.206 10.200 -9.697 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -8.610 9.148 -10.252 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -8.752 11.424 -9.943 1.00 0.00 N ATOM 0 H ARG A 100 -11.669 5.055 -5.535 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.983 6.493 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.418 6.736 -7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.439 7.356 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -12.591 9.200 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.104 9.319 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.018 7.987 -8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.467 8.391 -9.392 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.694 10.851 -8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.958 8.207 -10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.805 9.282 -10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.208 12.232 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.947 11.556 -10.555 1.00 0.00 H new ATOM 1586 N ALA A 101 -9.891 7.105 -4.168 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.151 7.818 -3.142 1.00 0.00 C ATOM 1588 C ALA A 101 -8.007 6.976 -2.605 1.00 0.00 C ATOM 1589 O ALA A 101 -8.032 6.543 -1.454 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.073 8.244 -2.009 1.00 0.00 C ATOM 0 H ALA A 101 -10.550 6.412 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.728 8.712 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.497 8.776 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.851 8.899 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.532 7.362 -1.562 1.00 0.00 H new ATOM 1596 N SER A 102 -7.012 6.729 -3.445 1.00 0.00 N ATOM 1597 CA SER A 102 -5.815 6.033 -3.004 1.00 0.00 C ATOM 1598 C SER A 102 -4.719 7.047 -2.673 1.00 0.00 C ATOM 1599 O SER A 102 -4.028 7.551 -3.559 1.00 0.00 O ATOM 1600 CB SER A 102 -5.350 5.046 -4.074 1.00 0.00 C ATOM 1601 OG SER A 102 -6.419 4.206 -4.487 1.00 0.00 O ATOM 0 H SER A 102 -7.010 6.999 -4.429 1.00 0.00 H new ATOM 0 HA SER A 102 -6.041 5.464 -2.102 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.958 5.592 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.534 4.438 -3.684 1.00 0.00 H new ATOM 0 HG SER A 102 -6.115 3.274 -4.503 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.578 7.372 -1.379 1.00 0.00 N ATOM 1608 CA PRO A 103 -3.683 8.399 -0.890 1.00 0.00 C ATOM 1609 C PRO A 103 -2.450 7.870 -0.153 1.00 0.00 C ATOM 1610 O PRO A 103 -2.318 6.674 0.109 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.606 9.111 0.099 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.548 8.046 0.600 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.345 6.825 -0.268 1.00 0.00 C ATOM 0 HA PRO A 103 -3.259 8.999 -1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.039 9.552 0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.150 9.922 -0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.344 7.813 1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.581 8.389 0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.802 6.038 0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.291 6.395 -0.597 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.558 8.791 0.188 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.419 8.503 1.048 1.00 0.00 C ATOM 1623 C LEU A 104 -0.189 9.669 1.999 1.00 0.00 C ATOM 1624 O LEU A 104 -0.041 10.814 1.567 1.00 0.00 O ATOM 1625 CB LEU A 104 0.856 8.241 0.234 1.00 0.00 C ATOM 1626 CG LEU A 104 1.052 6.797 -0.231 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.338 6.667 -1.033 1.00 0.00 C ATOM 1628 CD2 LEU A 104 1.072 5.847 0.960 1.00 0.00 C ATOM 0 H LEU A 104 -1.605 9.761 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.646 7.599 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.847 8.889 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.717 8.531 0.836 1.00 0.00 H new ATOM 0 HG LEU A 104 0.213 6.527 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.462 5.633 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.289 7.317 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.185 6.957 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.212 4.825 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.891 6.117 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.127 5.919 1.498 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.217 9.398 3.309 1.00 0.00 N ATOM 1641 CA PRO A 105 0.106 10.389 4.322 1.00 0.00 C ATOM 1642 C PRO A 105 1.604 10.518 4.522 1.00 0.00 C ATOM 1643 O PRO A 105 2.131 11.615 4.703 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.545 9.852 5.595 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.878 8.417 5.337 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.584 8.104 3.894 1.00 0.00 C ATOM 0 HA PRO A 105 -0.249 11.381 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.132 9.945 6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.443 10.420 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.293 7.770 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.928 8.227 5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.227 7.381 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.453 7.674 3.395 1.00 0.00 H new ATOM 1654 N THR A 106 2.273 9.381 4.502 1.00 0.00 N ATOM 1655 CA THR A 106 3.713 9.324 4.625 1.00 0.00 C ATOM 1656 C THR A 106 4.338 9.280 3.235 1.00 0.00 C ATOM 1657 O THR A 106 4.298 8.245 2.574 1.00 0.00 O ATOM 1658 CB THR A 106 4.127 8.074 5.421 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.325 7.977 6.611 1.00 0.00 O ATOM 1660 CG2 THR A 106 5.600 8.131 5.800 1.00 0.00 C ATOM 0 H THR A 106 1.829 8.468 4.399 1.00 0.00 H new ATOM 0 HA THR A 106 4.063 10.210 5.155 1.00 0.00 H new ATOM 0 HB THR A 106 3.969 7.197 4.794 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.835 8.312 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.866 7.236 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.206 8.186 4.896 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.784 9.013 6.414 1.00 0.00 H new ATOM 1668 N PRO A 107 4.894 10.411 2.764 1.00 0.00 N ATOM 1669 CA PRO A 107 5.470 10.506 1.422 1.00 0.00 C ATOM 1670 C PRO A 107 6.746 9.679 1.281 1.00 0.00 C ATOM 1671 O PRO A 107 7.804 10.051 1.792 1.00 0.00 O ATOM 1672 CB PRO A 107 5.776 11.998 1.264 1.00 0.00 C ATOM 1673 CG PRO A 107 5.927 12.509 2.655 1.00 0.00 C ATOM 1674 CD PRO A 107 5.009 11.679 3.509 1.00 0.00 C ATOM 0 HA PRO A 107 4.793 10.118 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.686 12.155 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.971 12.513 0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.960 12.419 2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.663 13.565 2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.421 11.522 4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.038 12.158 3.637 1.00 0.00 H new ATOM 1682 N PRO A 108 6.668 8.550 0.569 1.00 0.00 N ATOM 1683 CA PRO A 108 7.792 7.638 0.413 1.00 0.00 C ATOM 1684 C PRO A 108 8.731 8.083 -0.698 1.00 0.00 C ATOM 1685 O PRO A 108 8.966 7.350 -1.659 1.00 0.00 O ATOM 1686 CB PRO A 108 7.102 6.328 0.051 1.00 0.00 C ATOM 1687 CG PRO A 108 5.917 6.755 -0.742 1.00 0.00 C ATOM 1688 CD PRO A 108 5.472 8.070 -0.153 1.00 0.00 C ATOM 0 HA PRO A 108 8.420 7.577 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.758 5.678 -0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.808 5.772 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.173 6.866 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.121 6.013 -0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.163 8.772 -0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.623 7.942 0.518 1.00 0.00 H new ATOM 1696 N ALA A 109 9.256 9.293 -0.566 1.00 0.00 N ATOM 1697 CA ALA A 109 10.198 9.828 -1.537 1.00 0.00 C ATOM 1698 C ALA A 109 11.374 8.878 -1.692 1.00 0.00 C ATOM 1699 O ALA A 109 11.754 8.511 -2.805 1.00 0.00 O ATOM 1700 CB ALA A 109 10.671 11.211 -1.112 1.00 0.00 C ATOM 0 H ALA A 109 9.044 9.924 0.207 1.00 0.00 H new ATOM 0 HA ALA A 109 9.699 9.924 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.375 11.597 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.815 11.882 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.162 11.145 -0.141 1.00 0.00 H new ATOM 1706 N ASP A 110 11.890 8.428 -0.558 1.00 0.00 N ATOM 1707 CA ASP A 110 13.026 7.516 -0.525 1.00 0.00 C ATOM 1708 C ASP A 110 12.692 6.194 -1.214 1.00 0.00 C ATOM 1709 O ASP A 110 13.579 5.482 -1.686 1.00 0.00 O ATOM 1710 CB ASP A 110 13.442 7.260 0.927 1.00 0.00 C ATOM 1711 CG ASP A 110 14.667 6.376 1.042 1.00 0.00 C ATOM 1712 OD1 ASP A 110 15.793 6.895 0.910 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 14.509 5.161 1.275 1.00 0.00 O ATOM 0 H ASP A 110 11.535 8.683 0.364 1.00 0.00 H new ATOM 0 HA ASP A 110 13.853 7.978 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.641 8.214 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.613 6.795 1.461 1.00 0.00 H new ATOM 1718 N ALA A 111 11.409 5.883 -1.291 1.00 0.00 N ATOM 1719 CA ALA A 111 10.967 4.613 -1.833 1.00 0.00 C ATOM 1720 C ALA A 111 10.808 4.661 -3.349 1.00 0.00 C ATOM 1721 O ALA A 111 11.100 3.685 -4.037 1.00 0.00 O ATOM 1722 CB ALA A 111 9.659 4.193 -1.184 1.00 0.00 C ATOM 0 H ALA A 111 10.654 6.496 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 111 11.738 3.876 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.337 3.238 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.803 4.091 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.897 4.948 -1.378 1.00 0.00 H new ATOM 1728 N TYR A 112 10.360 5.792 -3.882 1.00 0.00 N ATOM 1729 CA TYR A 112 10.064 5.854 -5.308 1.00 0.00 C ATOM 1730 C TYR A 112 11.094 6.622 -6.099 1.00 0.00 C ATOM 1731 O TYR A 112 10.852 7.010 -7.240 1.00 0.00 O ATOM 1732 CB TYR A 112 8.660 6.352 -5.614 1.00 0.00 C ATOM 1733 CG TYR A 112 8.194 7.598 -4.908 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.943 8.765 -4.890 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.966 7.596 -4.270 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.476 9.893 -4.244 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.492 8.708 -3.627 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.249 9.860 -3.612 1.00 0.00 C ATOM 1739 OH TYR A 112 6.787 10.977 -2.962 1.00 0.00 O ATOM 0 H TYR A 112 10.197 6.656 -3.365 1.00 0.00 H new ATOM 0 HA TYR A 112 10.113 4.816 -5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.592 6.529 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.960 5.550 -5.378 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.902 8.792 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.368 6.697 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.068 10.796 -4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.531 8.683 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 112 7.314 11.757 -3.237 1.00 0.00 H new ATOM 1749 N VAL A 113 12.237 6.839 -5.498 1.00 0.00 N ATOM 1750 CA VAL A 113 13.369 7.353 -6.249 1.00 0.00 C ATOM 1751 C VAL A 113 13.883 6.233 -7.148 1.00 0.00 C ATOM 1752 O VAL A 113 14.757 5.444 -6.778 1.00 0.00 O ATOM 1753 CB VAL A 113 14.501 7.903 -5.348 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.124 9.275 -4.807 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.812 6.952 -4.198 1.00 0.00 C ATOM 0 H VAL A 113 12.414 6.673 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 113 13.033 8.204 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 113 15.399 7.993 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.929 9.651 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.964 9.962 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.209 9.196 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.611 7.370 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.920 6.817 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.127 5.988 -4.598 1.00 0.00 H new ATOM 1765 N ASN A 114 13.301 6.204 -8.340 1.00 0.00 N ATOM 1766 CA ASN A 114 13.433 5.113 -9.302 1.00 0.00 C ATOM 1767 C ASN A 114 12.258 5.218 -10.267 1.00 0.00 C ATOM 1768 O ASN A 114 12.300 4.714 -11.389 1.00 0.00 O ATOM 1769 CB ASN A 114 13.405 3.727 -8.622 1.00 0.00 C ATOM 1770 CG ASN A 114 12.000 3.157 -8.460 1.00 0.00 C ATOM 1771 OD1 ASN A 114 11.510 2.437 -9.331 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.338 3.476 -7.353 1.00 0.00 N ATOM 0 H ASN A 114 12.706 6.961 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 114 14.393 5.202 -9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.005 3.031 -9.208 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.873 3.803 -7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.393 3.122 -7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.775 4.075 -6.652 1.00 0.00 H new ATOM 1779 N GLY A 115 11.201 5.883 -9.799 1.00 0.00 N ATOM 1780 CA GLY A 115 9.993 6.046 -10.579 1.00 0.00 C ATOM 1781 C GLY A 115 8.814 6.443 -9.712 1.00 0.00 C ATOM 1782 O GLY A 115 8.529 7.627 -9.557 1.00 0.00 O ATOM 0 H GLY A 115 11.166 6.317 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.154 6.805 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.766 5.114 -11.097 1.00 0.00 H new ATOM 1786 N THR A 116 8.151 5.455 -9.124 1.00 0.00 N ATOM 1787 CA THR A 116 6.966 5.682 -8.303 1.00 0.00 C ATOM 1788 C THR A 116 6.739 4.486 -7.378 1.00 0.00 C ATOM 1789 O THR A 116 7.442 3.477 -7.485 1.00 0.00 O ATOM 1790 CB THR A 116 5.714 5.898 -9.176 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.832 5.153 -10.395 1.00 0.00 O ATOM 1792 CG2 THR A 116 5.491 7.373 -9.484 1.00 0.00 C ATOM 0 H THR A 116 8.419 4.474 -9.202 1.00 0.00 H new ATOM 0 HA THR A 116 7.134 6.582 -7.712 1.00 0.00 H new ATOM 0 HB THR A 116 4.850 5.542 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.032 5.294 -10.943 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.600 7.485 -10.101 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.359 7.923 -8.552 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.355 7.768 -10.019 1.00 0.00 H new ATOM 1800 N VAL A 117 5.776 4.598 -6.466 1.00 0.00 N ATOM 1801 CA VAL A 117 5.469 3.492 -5.564 1.00 0.00 C ATOM 1802 C VAL A 117 4.182 2.799 -5.973 1.00 0.00 C ATOM 1803 O VAL A 117 3.094 3.367 -5.886 1.00 0.00 O ATOM 1804 CB VAL A 117 5.350 3.913 -4.069 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.684 4.375 -3.523 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.284 4.986 -3.844 1.00 0.00 C ATOM 0 H VAL A 117 5.202 5.431 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 117 6.317 2.813 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 117 5.035 3.023 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.570 4.662 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.409 3.564 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 117 7.036 5.231 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.243 5.242 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.535 5.875 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.313 4.607 -4.163 1.00 0.00 H new ATOM 1816 N GLU A 118 4.319 1.584 -6.461 1.00 0.00 N ATOM 1817 CA GLU A 118 3.173 0.736 -6.689 1.00 0.00 C ATOM 1818 C GLU A 118 3.183 -0.355 -5.638 1.00 0.00 C ATOM 1819 O GLU A 118 4.042 -1.237 -5.651 1.00 0.00 O ATOM 1820 CB GLU A 118 3.223 0.139 -8.098 1.00 0.00 C ATOM 1821 CG GLU A 118 2.008 -0.699 -8.450 1.00 0.00 C ATOM 1822 CD GLU A 118 2.085 -1.289 -9.845 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.957 -2.155 -10.088 1.00 0.00 O ATOM 1824 OE2 GLU A 118 1.268 -0.902 -10.702 1.00 0.00 O1- ATOM 0 H GLU A 118 5.215 1.163 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 118 2.252 1.314 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.317 0.948 -8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.117 -0.477 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.906 -1.506 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.112 -0.083 -8.370 1.00 0.00 H new ATOM 1831 N LEU A 119 2.234 -0.299 -4.726 1.00 0.00 N ATOM 1832 CA LEU A 119 2.223 -1.224 -3.611 1.00 0.00 C ATOM 1833 C LEU A 119 0.820 -1.766 -3.386 1.00 0.00 C ATOM 1834 O LEU A 119 -0.167 -1.146 -3.782 1.00 0.00 O ATOM 1835 CB LEU A 119 2.793 -0.545 -2.350 1.00 0.00 C ATOM 1836 CG LEU A 119 1.891 0.475 -1.636 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.073 -0.215 -0.568 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.721 1.599 -1.020 1.00 0.00 C ATOM 0 H LEU A 119 1.466 0.372 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 119 2.865 -2.074 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.054 -1.325 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.720 -0.042 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 119 1.218 0.913 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.437 0.516 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.451 -0.984 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.740 -0.675 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.060 2.308 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.419 1.181 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.277 2.112 -1.804 1.00 0.00 H new ATOM 1850 N THR A 120 0.745 -2.939 -2.777 1.00 0.00 N ATOM 1851 CA THR A 120 -0.522 -3.607 -2.556 1.00 0.00 C ATOM 1852 C THR A 120 -0.998 -3.420 -1.120 1.00 0.00 C ATOM 1853 O THR A 120 -0.251 -3.666 -0.173 1.00 0.00 O ATOM 1854 CB THR A 120 -0.400 -5.109 -2.859 1.00 0.00 C ATOM 1855 OG1 THR A 120 -0.045 -5.299 -4.236 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.702 -5.835 -2.553 1.00 0.00 C ATOM 0 H THR A 120 1.555 -3.449 -2.426 1.00 0.00 H new ATOM 0 HA THR A 120 -1.252 -3.159 -3.230 1.00 0.00 H new ATOM 0 HB THR A 120 0.380 -5.526 -2.222 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.033 -6.258 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.588 -6.896 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.949 -5.710 -1.499 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.503 -5.419 -3.165 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.239 -2.988 -0.967 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.827 -2.808 0.348 1.00 0.00 C ATOM 1866 C LEU A 121 -4.170 -3.517 0.445 1.00 0.00 C ATOM 1867 O LEU A 121 -5.019 -3.390 -0.437 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.984 -1.320 0.669 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.667 -0.599 0.947 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.884 0.870 1.274 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.927 -1.300 2.072 1.00 0.00 C ATOM 0 H LEU A 121 -2.860 -2.755 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.154 -3.252 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.485 -0.830 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.634 -1.213 1.537 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.061 -0.637 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.922 1.346 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.372 1.362 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.514 0.956 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.012 -0.783 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.541 -1.290 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.720 -2.331 1.785 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.360 -4.308 1.504 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.618 -4.998 1.758 1.00 0.00 C ATOM 1885 C PRO A 122 -6.677 -4.049 2.299 1.00 0.00 C ATOM 1886 O PRO A 122 -6.488 -3.406 3.335 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.257 -6.056 2.814 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.771 -5.987 2.972 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.366 -4.610 2.536 1.00 0.00 C ATOM 0 HA PRO A 122 -6.039 -5.427 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.760 -5.852 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.570 -7.050 2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.481 -6.168 4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.280 -6.748 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.403 -3.895 3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.350 -4.590 2.141 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.785 -3.955 1.589 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.897 -3.137 2.021 1.00 0.00 C ATOM 1899 C ILE A 123 -9.924 -4.023 2.715 1.00 0.00 C ATOM 1900 O ILE A 123 -10.700 -4.736 2.071 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.542 -2.373 0.837 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -10.039 -3.329 -0.246 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.547 -1.399 0.231 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.798 -2.635 -1.347 1.00 0.00 C ATOM 0 H ILE A 123 -7.937 -4.440 0.704 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.528 -2.385 2.719 1.00 0.00 H new ATOM 0 HB ILE A 123 -10.398 -1.825 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.187 -3.855 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.681 -4.082 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -9.015 -0.870 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -8.234 -0.680 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.677 -1.946 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.123 -3.370 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.669 -2.132 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.152 -1.901 -1.828 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.914 -4.023 4.036 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.767 -4.948 4.752 1.00 0.00 C ATOM 1918 C ASP A 124 -12.129 -4.340 5.019 1.00 0.00 C ATOM 1919 O ASP A 124 -12.255 -3.321 5.701 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.151 -5.349 6.096 1.00 0.00 C ATOM 1921 CG ASP A 124 -8.867 -6.147 5.975 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -7.772 -5.539 5.966 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -8.943 -7.395 5.945 1.00 0.00 O ATOM 0 H ASP A 124 -9.342 -3.412 4.619 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.872 -5.829 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.953 -4.448 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -10.879 -5.935 6.657 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.140 -4.983 4.479 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.509 -4.787 4.899 1.00 0.00 C ATOM 1930 C PHE A 125 -14.990 -6.113 5.475 1.00 0.00 C ATOM 1931 O PHE A 125 -14.980 -7.118 4.769 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.377 -4.330 3.718 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.925 -3.037 3.091 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -13.947 -3.033 2.106 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.475 -1.830 3.484 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.530 -1.849 1.527 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -15.062 -0.644 2.907 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.087 -0.653 1.928 1.00 0.00 C ATOM 0 H PHE A 125 -13.033 -5.664 3.727 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.582 -4.004 5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.377 -5.110 2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.406 -4.217 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.506 -3.966 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.236 -1.814 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.769 -1.861 0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.502 0.291 3.222 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.762 0.274 1.478 1.00 0.00 H new ATOM 1948 N SER A 126 -15.389 -6.127 6.737 1.00 0.00 N ATOM 1949 CA SER A 126 -15.646 -7.383 7.448 1.00 0.00 C ATOM 1950 C SER A 126 -16.723 -8.235 6.764 1.00 0.00 C ATOM 1951 O SER A 126 -17.914 -7.980 6.917 1.00 0.00 O ATOM 1952 CB SER A 126 -16.075 -7.063 8.878 1.00 0.00 C ATOM 1953 OG SER A 126 -15.332 -5.967 9.394 1.00 0.00 O ATOM 0 H SER A 126 -15.544 -5.287 7.295 1.00 0.00 H new ATOM 0 HA SER A 126 -14.725 -7.966 7.441 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.139 -6.829 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 126 -15.928 -7.938 9.511 1.00 0.00 H new ATOM 0 HG SER A 126 -15.623 -5.777 10.310 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.291 -9.274 6.046 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.212 -10.165 5.345 1.00 0.00 C ATOM 1961 C LEU A 127 -17.935 -11.060 6.337 1.00 0.00 C ATOM 1962 O LEU A 127 -17.324 -11.895 7.002 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.469 -11.009 4.299 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.680 -10.567 2.849 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -15.717 -11.264 1.906 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.106 -10.833 2.406 1.00 0.00 C ATOM 0 H LEU A 127 -15.307 -9.518 5.936 1.00 0.00 H new ATOM 0 HA LEU A 127 -17.949 -9.555 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.402 -10.980 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.787 -12.047 4.398 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.485 -9.495 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -15.897 -10.925 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.692 -11.027 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.869 -12.342 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.232 -10.511 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.318 -11.900 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.795 -10.280 3.045 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.239 -10.872 6.444 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.032 -11.596 7.420 1.00 0.00 C ATOM 1980 C ARG A 128 -21.295 -12.179 6.797 1.00 0.00 C ATOM 1981 O ARG A 128 -22.286 -12.406 7.486 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.372 -10.675 8.604 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.745 -9.244 8.214 1.00 0.00 C ATOM 1984 CD ARG A 128 -22.247 -8.989 8.261 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.980 -9.734 7.235 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.695 -9.160 6.263 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -23.764 -7.838 6.168 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.341 -9.911 5.377 1.00 0.00 N ATOM 0 H ARG A 128 -19.771 -10.222 5.865 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.441 -12.436 7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.200 -11.113 9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.516 -10.642 9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.242 -8.547 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.378 -9.039 7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -22.627 -9.264 9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -22.434 -7.923 8.133 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.942 -10.753 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -23.269 -7.252 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -24.312 -7.408 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.292 -10.928 5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -24.886 -9.470 4.636 1.00 0.00 H new