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= 0.899 K(o=1.9,f=-2.5) USER MOD Set 1.2: A 83 SER OG : rot 139:sc= 1.03 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 42 SER OG : rot 79:sc= 1.27 USER MOD Single : A 46 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.18) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc=-0.00138 (180deg=-0.108) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -128:sc= 0.0583 (180deg=-0.873) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= -0.0217 (180deg=-0.195) USER MOD Single : A 61 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 73 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.062) USER MOD Single : A 75 HIS : no HD1:sc= -1.89! K(o=-1.9!,f=-0.027) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -5.88! C(o=-5.9!,f=-12!) USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 1.09 (180deg=0.3) USER MOD Single : A 102 SER OG : rot -13:sc= 0.563 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -70:sc= -0.579 USER MOD Single : A 114 ASN : amide:sc= -5.48! K(o=-5.5!,f=-0.55) USER MOD Single : A 116 THR OG1 : rot -170:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 0.887 3.735 9.061 1.00 0.00 N ATOM 508 CA TRP A 37 0.521 4.435 7.842 1.00 0.00 C ATOM 509 C TRP A 37 -0.958 4.288 7.468 1.00 0.00 C ATOM 510 O TRP A 37 -1.496 5.165 6.794 1.00 0.00 O ATOM 511 CB TRP A 37 1.420 3.996 6.670 1.00 0.00 C ATOM 512 CG TRP A 37 1.428 2.520 6.370 1.00 0.00 C ATOM 513 CD1 TRP A 37 1.114 1.492 7.213 1.00 0.00 C ATOM 514 CD2 TRP A 37 1.802 1.914 5.129 1.00 0.00 C ATOM 515 NE1 TRP A 37 1.262 0.289 6.571 1.00 0.00 N ATOM 516 CE2 TRP A 37 1.684 0.520 5.289 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.222 2.416 3.894 1.00 0.00 C ATOM 518 CZ2 TRP A 37 1.970 -0.375 4.263 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.507 1.526 2.877 1.00 0.00 C ATOM 520 CH2 TRP A 37 2.380 0.144 3.067 1.00 0.00 C ATOM 0 HA TRP A 37 0.680 5.494 8.045 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.103 4.529 5.773 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.442 4.310 6.882 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.795 1.610 8.238 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.086 -0.628 6.982 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.322 3.480 3.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.872 -1.441 4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.833 1.902 1.919 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.611 -0.525 2.251 1.00 0.00 H new ATOM 531 N ARG A 38 -1.638 3.225 7.905 1.00 0.00 N ATOM 532 CA ARG A 38 -3.034 3.038 7.497 1.00 0.00 C ATOM 533 C ARG A 38 -3.903 4.117 8.120 1.00 0.00 C ATOM 534 O ARG A 38 -4.884 4.557 7.526 1.00 0.00 O ATOM 535 CB ARG A 38 -3.594 1.657 7.858 1.00 0.00 C ATOM 536 CG ARG A 38 -3.787 1.428 9.347 1.00 0.00 C ATOM 537 CD ARG A 38 -4.829 0.353 9.627 1.00 0.00 C ATOM 538 NE ARG A 38 -4.506 -0.921 8.991 1.00 0.00 N ATOM 539 CZ ARG A 38 -4.938 -2.101 9.437 1.00 0.00 C ATOM 540 NH1 ARG A 38 -5.688 -2.171 10.529 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -4.620 -3.212 8.791 1.00 0.00 N ATOM 0 H ARG A 38 -1.262 2.503 8.520 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.051 3.112 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.552 1.524 7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.921 0.893 7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.837 1.138 9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.092 2.361 9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.914 0.206 10.704 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.802 0.695 9.274 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.917 -0.908 8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.937 -1.319 11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.016 -3.076 10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.044 -3.166 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.951 -4.114 9.134 1.00 0.00 H new ATOM 555 N SER A 39 -3.526 4.545 9.314 1.00 0.00 N ATOM 556 CA SER A 39 -4.220 5.619 9.994 1.00 0.00 C ATOM 557 C SER A 39 -4.030 6.925 9.232 1.00 0.00 C ATOM 558 O SER A 39 -4.949 7.741 9.129 1.00 0.00 O ATOM 559 CB SER A 39 -3.691 5.739 11.420 1.00 0.00 C ATOM 560 OG SER A 39 -2.283 5.565 11.445 1.00 0.00 O ATOM 0 H SER A 39 -2.737 4.160 9.833 1.00 0.00 H new ATOM 0 HA SER A 39 -5.287 5.401 10.033 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.950 6.716 11.829 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.167 4.991 12.055 1.00 0.00 H new ATOM 0 HG SER A 39 -1.960 5.647 12.366 1.00 0.00 H new ATOM 566 N ARG A 40 -2.839 7.095 8.669 1.00 0.00 N ATOM 567 CA ARG A 40 -2.527 8.263 7.890 1.00 0.00 C ATOM 568 C ARG A 40 -3.316 8.232 6.583 1.00 0.00 C ATOM 569 O ARG A 40 -3.886 9.239 6.158 1.00 0.00 O ATOM 570 CB ARG A 40 -1.031 8.321 7.578 1.00 0.00 C ATOM 571 CG ARG A 40 -0.105 7.684 8.609 1.00 0.00 C ATOM 572 CD ARG A 40 -0.180 8.365 9.963 1.00 0.00 C ATOM 573 NE ARG A 40 0.907 7.925 10.836 1.00 0.00 N ATOM 574 CZ ARG A 40 1.268 8.557 11.949 1.00 0.00 C ATOM 575 NH1 ARG A 40 0.584 9.614 12.361 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 2.307 8.127 12.654 1.00 0.00 N ATOM 0 H ARG A 40 -2.074 6.425 8.745 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.799 9.147 8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.862 7.834 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.745 9.366 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.363 6.631 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.921 7.723 8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.131 9.446 9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.139 8.144 10.432 1.00 0.00 H new ATOM 0 HE ARG A 40 1.419 7.082 10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.219 9.943 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.860 10.099 13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.831 7.309 12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.581 8.614 13.507 1.00 0.00 H new ATOM 590 N ILE A 41 -3.333 7.060 5.953 1.00 0.00 N ATOM 591 CA ILE A 41 -4.036 6.858 4.693 1.00 0.00 C ATOM 592 C ILE A 41 -5.537 7.059 4.878 1.00 0.00 C ATOM 593 O ILE A 41 -6.188 7.700 4.058 1.00 0.00 O ATOM 594 CB ILE A 41 -3.786 5.432 4.139 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.307 5.228 3.802 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.653 5.164 2.916 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.969 3.823 3.348 1.00 0.00 C ATOM 0 H ILE A 41 -2.860 6.226 6.302 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.652 7.591 3.983 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.061 4.719 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.023 5.931 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.708 5.470 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.459 4.157 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.705 5.254 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.417 5.889 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.903 3.758 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.220 3.115 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.540 3.583 2.451 1.00 0.00 H new ATOM 609 N SER A 42 -6.079 6.504 5.960 1.00 0.00 N ATOM 610 CA SER A 42 -7.496 6.657 6.268 1.00 0.00 C ATOM 611 C SER A 42 -7.875 8.134 6.378 1.00 0.00 C ATOM 612 O SER A 42 -8.978 8.527 6.002 1.00 0.00 O ATOM 613 CB SER A 42 -7.841 5.916 7.561 1.00 0.00 C ATOM 614 OG SER A 42 -7.544 4.534 7.441 1.00 0.00 O ATOM 0 H SER A 42 -5.558 5.946 6.636 1.00 0.00 H new ATOM 0 HA SER A 42 -8.072 6.221 5.452 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.279 6.343 8.392 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.898 6.047 7.790 1.00 0.00 H new ATOM 0 HG SER A 42 -6.580 4.396 7.553 1.00 0.00 H new ATOM 620 N GLY A 43 -6.943 8.949 6.868 1.00 0.00 N ATOM 621 CA GLY A 43 -7.177 10.378 6.943 1.00 0.00 C ATOM 622 C GLY A 43 -7.205 11.014 5.567 1.00 0.00 C ATOM 623 O GLY A 43 -7.961 11.954 5.317 1.00 0.00 O ATOM 0 H GLY A 43 -6.033 8.644 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.123 10.566 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.396 10.844 7.544 1.00 0.00 H new ATOM 627 N ARG A 44 -6.383 10.487 4.669 1.00 0.00 N ATOM 628 CA ARG A 44 -6.319 10.950 3.309 1.00 0.00 C ATOM 629 C ARG A 44 -7.579 10.548 2.559 1.00 0.00 C ATOM 630 O ARG A 44 -8.112 11.306 1.761 1.00 0.00 O ATOM 631 CB ARG A 44 -5.126 10.307 2.642 1.00 0.00 C ATOM 632 CG ARG A 44 -4.113 11.279 2.083 1.00 0.00 C ATOM 633 CD ARG A 44 -3.177 11.736 3.177 1.00 0.00 C ATOM 634 NE ARG A 44 -2.092 12.573 2.667 1.00 0.00 N ATOM 635 CZ ARG A 44 -1.568 13.605 3.330 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.038 13.942 4.524 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -0.557 14.286 2.804 1.00 0.00 N ATOM 0 H ARG A 44 -5.742 9.721 4.876 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.229 12.036 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.628 9.660 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.480 9.668 1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.546 10.805 1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.623 12.138 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.741 12.293 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.756 10.865 3.679 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.712 12.354 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.804 13.411 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.634 14.732 5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.182 14.020 1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.156 15.075 3.310 1.00 0.00 H new ATOM 651 N LEU A 45 -8.032 9.333 2.823 1.00 0.00 N ATOM 652 CA LEU A 45 -9.219 8.788 2.193 1.00 0.00 C ATOM 653 C LEU A 45 -10.452 9.525 2.695 1.00 0.00 C ATOM 654 O LEU A 45 -11.466 9.612 2.016 1.00 0.00 O ATOM 655 CB LEU A 45 -9.302 7.300 2.511 1.00 0.00 C ATOM 656 CG LEU A 45 -9.645 6.398 1.330 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.298 4.953 1.655 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.113 6.519 0.956 1.00 0.00 C ATOM 0 H LEU A 45 -7.584 8.697 3.483 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.168 8.917 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.346 6.980 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.051 7.153 3.289 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.053 6.720 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.547 4.319 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.232 4.874 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.866 4.630 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.328 5.865 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.730 6.229 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.335 7.550 0.682 1.00 0.00 H new ATOM 670 N ASN A 46 -10.325 10.068 3.892 1.00 0.00 N ATOM 671 CA ASN A 46 -11.369 10.872 4.517 1.00 0.00 C ATOM 672 C ASN A 46 -11.499 12.183 3.765 1.00 0.00 C ATOM 673 O ASN A 46 -12.586 12.743 3.625 1.00 0.00 O ATOM 674 CB ASN A 46 -11.018 11.146 5.985 1.00 0.00 C ATOM 675 CG ASN A 46 -12.078 11.960 6.702 1.00 0.00 C ATOM 676 OD1 ASN A 46 -12.105 13.186 6.611 1.00 0.00 O ATOM 677 ND2 ASN A 46 -12.925 11.291 7.466 1.00 0.00 N ATOM 0 H ASN A 46 -9.488 9.965 4.466 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.315 10.331 4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.882 10.197 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.066 11.675 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.631 11.792 8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.872 10.274 7.516 1.00 0.00 H new ATOM 684 N ARG A 47 -10.359 12.650 3.277 1.00 0.00 N ATOM 685 CA ARG A 47 -10.281 13.817 2.426 1.00 0.00 C ATOM 686 C ARG A 47 -11.064 13.602 1.130 1.00 0.00 C ATOM 687 O ARG A 47 -11.442 14.564 0.454 1.00 0.00 O ATOM 688 CB ARG A 47 -8.802 14.113 2.145 1.00 0.00 C ATOM 689 CG ARG A 47 -8.444 14.263 0.672 1.00 0.00 C ATOM 690 CD ARG A 47 -6.949 14.465 0.472 1.00 0.00 C ATOM 691 NE ARG A 47 -6.616 14.668 -0.939 1.00 0.00 N ATOM 692 CZ ARG A 47 -5.513 15.281 -1.370 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.632 15.760 -0.504 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -5.298 15.427 -2.671 1.00 0.00 N ATOM 0 H ARG A 47 -9.454 12.220 3.466 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.733 14.673 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.525 15.030 2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.199 13.310 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.767 13.376 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.985 15.110 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.617 15.326 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.410 13.597 0.852 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.271 14.318 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.796 15.661 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.790 16.228 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.977 15.070 -3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.454 15.896 -2.999 1.00 0.00 H new ATOM 708 N PHE A 48 -11.312 12.342 0.783 1.00 0.00 N ATOM 709 CA PHE A 48 -12.049 12.045 -0.428 1.00 0.00 C ATOM 710 C PHE A 48 -13.466 11.567 -0.121 1.00 0.00 C ATOM 711 O PHE A 48 -14.438 12.212 -0.505 1.00 0.00 O ATOM 712 CB PHE A 48 -11.333 10.975 -1.251 1.00 0.00 C ATOM 713 CG PHE A 48 -9.966 11.362 -1.743 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.819 12.181 -2.847 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.829 10.884 -1.113 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.563 12.521 -3.312 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.570 11.218 -1.574 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.437 12.038 -2.675 1.00 0.00 C ATOM 0 H PHE A 48 -11.016 11.526 1.318 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.105 12.971 -0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.243 10.072 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.954 10.723 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.696 12.559 -3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.928 10.242 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.462 13.164 -4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.692 10.838 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.455 12.302 -3.038 1.00 0.00 H new ATOM 728 N LYS A 49 -13.564 10.461 0.611 1.00 0.00 N ATOM 729 CA LYS A 49 -14.841 9.842 0.976 1.00 0.00 C ATOM 730 C LYS A 49 -14.605 8.842 2.097 1.00 0.00 C ATOM 731 O LYS A 49 -14.116 7.741 1.848 1.00 0.00 O ATOM 732 CB LYS A 49 -15.475 9.073 -0.202 1.00 0.00 C ATOM 733 CG LYS A 49 -16.083 9.928 -1.302 1.00 0.00 C ATOM 734 CD LYS A 49 -16.770 9.064 -2.348 1.00 0.00 C ATOM 735 CE LYS A 49 -17.351 9.895 -3.481 1.00 0.00 C ATOM 736 NZ LYS A 49 -16.295 10.579 -4.274 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.752 9.961 0.973 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.515 10.644 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.712 8.433 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.251 8.417 0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.803 10.624 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.304 10.527 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.055 8.348 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.566 8.488 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.937 9.252 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.034 10.639 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.717 10.993 -5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.864 11.333 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.565 9.891 -4.546 1.00 0.00 H new ATOM 750 N ARG A 50 -14.941 9.197 3.322 1.00 0.00 N ATOM 751 CA ARG A 50 -14.767 8.262 4.416 1.00 0.00 C ATOM 752 C ARG A 50 -16.114 7.848 4.982 1.00 0.00 C ATOM 753 O ARG A 50 -16.746 8.594 5.728 1.00 0.00 O ATOM 754 CB ARG A 50 -13.904 8.871 5.513 1.00 0.00 C ATOM 755 CG ARG A 50 -13.464 7.867 6.565 1.00 0.00 C ATOM 756 CD ARG A 50 -12.477 6.858 5.999 1.00 0.00 C ATOM 757 NE ARG A 50 -12.140 5.814 6.970 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.254 4.843 6.743 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.634 4.770 5.568 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -10.983 3.950 7.688 1.00 0.00 N ATOM 0 H ARG A 50 -15.327 10.105 3.582 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.262 7.377 4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.021 9.322 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.460 9.674 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.006 8.394 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.336 7.343 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.900 6.399 5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.567 7.374 5.692 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.611 5.831 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.836 5.456 4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.956 4.028 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.453 4.005 8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.305 3.209 7.510 1.00 0.00 H new ATOM 774 N TYR A 51 -16.544 6.650 4.630 1.00 0.00 N ATOM 775 CA TYR A 51 -17.776 6.102 5.157 1.00 0.00 C ATOM 776 C TYR A 51 -17.450 5.032 6.189 1.00 0.00 C ATOM 777 O TYR A 51 -16.593 4.177 5.944 1.00 0.00 O ATOM 778 CB TYR A 51 -18.615 5.514 4.023 1.00 0.00 C ATOM 779 CG TYR A 51 -20.085 5.834 4.153 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.585 7.050 3.711 1.00 0.00 C ATOM 781 CD2 TYR A 51 -20.970 4.927 4.718 1.00 0.00 C ATOM 782 CE1 TYR A 51 -21.925 7.358 3.830 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.314 5.226 4.840 1.00 0.00 C ATOM 784 CZ TYR A 51 -22.787 6.442 4.393 1.00 0.00 C ATOM 785 OH TYR A 51 -24.127 6.742 4.512 1.00 0.00 O ATOM 0 H TYR A 51 -16.054 6.037 3.978 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.352 6.894 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.248 5.896 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.484 4.432 4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -19.913 7.769 3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.603 3.973 5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.296 8.311 3.484 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -22.991 4.511 5.283 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.595 5.989 4.929 1.00 0.00 H new ATOM 795 N PRO A 52 -18.101 5.084 7.361 1.00 0.00 N ATOM 796 CA PRO A 52 -17.868 4.121 8.444 1.00 0.00 C ATOM 797 C PRO A 52 -18.151 2.691 7.998 1.00 0.00 C ATOM 798 O PRO A 52 -19.201 2.408 7.421 1.00 0.00 O ATOM 799 CB PRO A 52 -18.857 4.549 9.531 1.00 0.00 C ATOM 800 CG PRO A 52 -19.173 5.971 9.224 1.00 0.00 C ATOM 801 CD PRO A 52 -19.114 6.088 7.730 1.00 0.00 C ATOM 0 HA PRO A 52 -16.831 4.123 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.755 3.932 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -18.420 4.447 10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.160 6.242 9.599 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.456 6.642 9.698 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.079 5.876 7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.823 7.090 7.414 1.00 0.00 H new ATOM 809 N LYS A 53 -17.217 1.791 8.300 1.00 0.00 N ATOM 810 CA LYS A 53 -17.275 0.410 7.819 1.00 0.00 C ATOM 811 C LYS A 53 -18.518 -0.314 8.316 1.00 0.00 C ATOM 812 O LYS A 53 -18.942 -1.295 7.716 1.00 0.00 O ATOM 813 CB LYS A 53 -16.030 -0.375 8.242 1.00 0.00 C ATOM 814 CG LYS A 53 -14.720 0.117 7.636 1.00 0.00 C ATOM 815 CD LYS A 53 -14.720 0.049 6.113 1.00 0.00 C ATOM 816 CE LYS A 53 -15.179 1.361 5.493 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.318 2.496 5.918 1.00 0.00 N1+ ATOM 0 H LYS A 53 -16.404 1.995 8.881 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.317 0.462 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.947 -0.337 9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.169 -1.421 7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.541 1.145 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.896 -0.483 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.717 -0.190 5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.375 -0.758 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.161 1.277 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.212 1.559 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.913 3.263 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.662 2.176 6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.775 2.845 5.102 1.00 0.00 H new ATOM 831 N ASP A 54 -19.085 0.160 9.418 1.00 0.00 N ATOM 832 CA ASP A 54 -20.301 -0.431 9.974 1.00 0.00 C ATOM 833 C ASP A 54 -21.434 -0.390 8.962 1.00 0.00 C ATOM 834 O ASP A 54 -22.185 -1.355 8.824 1.00 0.00 O ATOM 835 CB ASP A 54 -20.713 0.300 11.251 1.00 0.00 C ATOM 836 CG ASP A 54 -19.676 0.163 12.343 1.00 0.00 C ATOM 837 OD1 ASP A 54 -18.725 0.968 12.369 1.00 0.00 O1- ATOM 838 OD2 ASP A 54 -19.793 -0.766 13.166 1.00 0.00 O ATOM 0 H ASP A 54 -18.723 0.953 9.947 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.091 -1.473 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.869 1.356 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.665 -0.096 11.604 1.00 0.00 H new ATOM 843 N ALA A 55 -21.534 0.716 8.237 1.00 0.00 N ATOM 844 CA ALA A 55 -22.544 0.858 7.198 1.00 0.00 C ATOM 845 C ALA A 55 -22.253 -0.086 6.040 1.00 0.00 C ATOM 846 O ALA A 55 -23.163 -0.610 5.405 1.00 0.00 O ATOM 847 CB ALA A 55 -22.604 2.294 6.710 1.00 0.00 C ATOM 0 H ALA A 55 -20.927 1.528 8.350 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.514 0.596 7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.364 2.383 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -22.857 2.951 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.634 2.581 6.303 1.00 0.00 H new ATOM 853 N LEU A 56 -20.973 -0.311 5.782 1.00 0.00 N ATOM 854 CA LEU A 56 -20.550 -1.210 4.716 1.00 0.00 C ATOM 855 C LEU A 56 -20.811 -2.663 5.111 1.00 0.00 C ATOM 856 O LEU A 56 -21.280 -3.454 4.304 1.00 0.00 O ATOM 857 CB LEU A 56 -19.061 -1.016 4.392 1.00 0.00 C ATOM 858 CG LEU A 56 -18.686 0.274 3.647 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.513 0.434 2.385 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.833 1.495 4.542 1.00 0.00 C ATOM 0 H LEU A 56 -20.205 0.118 6.298 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.131 -0.973 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.501 -1.045 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.728 -1.865 3.794 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.637 0.193 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.227 1.355 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.336 -0.415 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.570 0.477 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.560 2.390 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.867 1.578 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.178 1.393 5.407 1.00 0.00 H new ATOM 872 N ARG A 57 -20.527 -3.003 6.362 1.00 0.00 N ATOM 873 CA ARG A 57 -20.801 -4.348 6.868 1.00 0.00 C ATOM 874 C ARG A 57 -22.279 -4.678 6.725 1.00 0.00 C ATOM 875 O ARG A 57 -22.653 -5.829 6.512 1.00 0.00 O ATOM 876 CB ARG A 57 -20.389 -4.483 8.338 1.00 0.00 C ATOM 877 CG ARG A 57 -18.896 -4.346 8.578 1.00 0.00 C ATOM 878 CD ARG A 57 -18.527 -4.708 10.011 1.00 0.00 C ATOM 879 NE ARG A 57 -19.135 -3.805 10.995 1.00 0.00 N ATOM 880 CZ ARG A 57 -19.809 -4.221 12.071 1.00 0.00 C ATOM 881 NH1 ARG A 57 -20.020 -5.517 12.268 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -20.270 -3.340 12.950 1.00 0.00 N ATOM 0 H ARG A 57 -20.109 -2.371 7.045 1.00 0.00 H new ATOM 0 HA ARG A 57 -20.213 -5.049 6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -20.911 -3.725 8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -20.718 -5.454 8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.354 -4.992 7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.585 -3.323 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.844 -5.730 10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.443 -4.682 10.121 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.037 -2.800 10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.667 -6.199 11.597 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -20.535 -5.831 13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.110 -2.343 12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.784 -3.660 13.771 1.00 0.00 H new ATOM 896 N LEU A 58 -23.106 -3.647 6.819 1.00 0.00 N ATOM 897 CA LEU A 58 -24.549 -3.803 6.754 1.00 0.00 C ATOM 898 C LEU A 58 -25.058 -3.601 5.323 1.00 0.00 C ATOM 899 O LEU A 58 -26.256 -3.716 5.057 1.00 0.00 O ATOM 900 CB LEU A 58 -25.200 -2.786 7.699 1.00 0.00 C ATOM 901 CG LEU A 58 -26.705 -2.939 7.914 1.00 0.00 C ATOM 902 CD1 LEU A 58 -27.023 -4.284 8.551 1.00 0.00 C ATOM 903 CD2 LEU A 58 -27.224 -1.799 8.778 1.00 0.00 C ATOM 0 H LEU A 58 -22.796 -2.683 6.942 1.00 0.00 H new ATOM 0 HA LEU A 58 -24.814 -4.815 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -24.706 -2.853 8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -25.008 -1.785 7.312 1.00 0.00 H new ATOM 0 HG LEU A 58 -27.203 -2.899 6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -28.100 -4.373 8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -26.677 -5.086 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -26.520 -4.358 9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -28.298 -1.915 8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -26.720 -1.816 9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -27.027 -0.848 8.283 1.00 0.00 H new ATOM 915 N LYS A 59 -24.148 -3.316 4.399 1.00 0.00 N ATOM 916 CA LYS A 59 -24.536 -3.006 3.028 1.00 0.00 C ATOM 917 C LYS A 59 -23.557 -3.594 2.010 1.00 0.00 C ATOM 918 O LYS A 59 -23.853 -4.595 1.358 1.00 0.00 O ATOM 919 CB LYS A 59 -24.651 -1.486 2.851 1.00 0.00 C ATOM 920 CG LYS A 59 -24.948 -1.046 1.429 1.00 0.00 C ATOM 921 CD LYS A 59 -25.159 0.458 1.346 1.00 0.00 C ATOM 922 CE LYS A 59 -26.347 0.907 2.186 1.00 0.00 C ATOM 923 NZ LYS A 59 -27.617 0.273 1.740 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.143 -3.293 4.572 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.507 -3.466 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.438 -1.114 3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.720 -1.022 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.124 -1.336 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.838 -1.560 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.259 0.971 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.318 0.746 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.166 0.659 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -26.443 1.991 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -28.419 0.728 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.719 0.387 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.601 -0.740 1.976 1.00 0.00 H new ATOM 937 N ARG A 60 -22.392 -2.976 1.877 1.00 0.00 N ATOM 938 CA ARG A 60 -21.398 -3.416 0.911 1.00 0.00 C ATOM 939 C ARG A 60 -20.109 -3.805 1.616 1.00 0.00 C ATOM 940 O ARG A 60 -19.236 -2.970 1.841 1.00 0.00 O ATOM 941 CB ARG A 60 -21.115 -2.315 -0.110 1.00 0.00 C ATOM 942 CG ARG A 60 -22.302 -1.971 -0.989 1.00 0.00 C ATOM 943 CD ARG A 60 -22.690 -3.131 -1.888 1.00 0.00 C ATOM 944 NE ARG A 60 -23.779 -2.773 -2.793 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.816 -3.566 -3.061 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.934 -4.741 -2.447 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.747 -3.173 -3.922 1.00 0.00 N ATOM 0 H ARG A 60 -22.112 -2.165 2.429 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.795 -4.287 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.794 -1.417 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -20.284 -2.626 -0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -23.151 -1.696 -0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -22.062 -1.101 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.823 -3.447 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.990 -3.981 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.744 -1.861 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.230 -5.036 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.728 -5.347 -2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.669 -2.264 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.541 -3.780 -4.127 1.00 0.00 H new ATOM 961 N GLN A 61 -20.016 -5.065 1.990 1.00 0.00 N ATOM 962 CA GLN A 61 -18.819 -5.580 2.630 1.00 0.00 C ATOM 963 C GLN A 61 -17.881 -6.151 1.572 1.00 0.00 C ATOM 964 O GLN A 61 -18.199 -6.121 0.388 1.00 0.00 O ATOM 965 CB GLN A 61 -19.197 -6.651 3.653 1.00 0.00 C ATOM 966 CG GLN A 61 -19.931 -7.836 3.050 1.00 0.00 C ATOM 967 CD GLN A 61 -20.519 -8.767 4.094 1.00 0.00 C ATOM 968 OE1 GLN A 61 -20.631 -9.970 3.873 1.00 0.00 O ATOM 969 NE2 GLN A 61 -20.900 -8.217 5.235 1.00 0.00 N ATOM 0 H GLN A 61 -20.757 -5.754 1.862 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.307 -4.772 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.292 -7.007 4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.823 -6.201 4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.731 -7.471 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -19.244 -8.397 2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.790 -7.213 5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -21.304 -8.797 5.971 1.00 0.00 H new ATOM 978 N GLY A 62 -16.726 -6.651 1.983 1.00 0.00 N ATOM 979 CA GLY A 62 -15.805 -7.216 1.023 1.00 0.00 C ATOM 980 C GLY A 62 -14.363 -7.129 1.461 1.00 0.00 C ATOM 981 O GLY A 62 -13.856 -6.050 1.752 1.00 0.00 O ATOM 0 H GLY A 62 -16.413 -6.676 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.064 -8.261 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.921 -6.699 0.070 1.00 0.00 H new ATOM 985 N VAL A 63 -13.701 -8.264 1.506 1.00 0.00 N ATOM 986 CA VAL A 63 -12.290 -8.302 1.826 1.00 0.00 C ATOM 987 C VAL A 63 -11.492 -8.690 0.585 1.00 0.00 C ATOM 988 O VAL A 63 -11.799 -9.680 -0.086 1.00 0.00 O ATOM 989 CB VAL A 63 -11.992 -9.269 2.998 1.00 0.00 C ATOM 990 CG1 VAL A 63 -12.472 -10.677 2.688 1.00 0.00 C ATOM 991 CG2 VAL A 63 -10.507 -9.262 3.340 1.00 0.00 C ATOM 0 H VAL A 63 -14.119 -9.177 1.324 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.987 -7.306 2.150 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.544 -8.917 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.248 -11.331 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.548 -10.665 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.965 -11.046 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.321 -9.948 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.932 -9.577 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.205 -8.255 3.630 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.506 -7.879 0.255 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.698 -8.134 -0.914 1.00 0.00 C ATOM 1003 C GLY A 64 -8.391 -7.383 -0.864 1.00 0.00 C ATOM 1004 O GLY A 64 -8.217 -6.485 -0.042 1.00 0.00 O ATOM 0 H GLY A 64 -10.248 -7.043 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.501 -9.203 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.250 -7.844 -1.808 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.470 -7.739 -1.738 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.189 -7.061 -1.789 1.00 0.00 C ATOM 1010 C GLN A 65 -6.170 -6.092 -2.953 1.00 0.00 C ATOM 1011 O GLN A 65 -6.423 -6.470 -4.099 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.033 -8.052 -1.913 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.781 -8.868 -0.656 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.514 -9.696 -0.752 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.539 -10.838 -1.205 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.396 -9.124 -0.332 1.00 0.00 N ATOM 0 H GLN A 65 -7.583 -8.490 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.058 -6.515 -0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.238 -8.732 -2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.125 -7.505 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.711 -8.198 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.630 -9.527 -0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.417 -8.174 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.514 -9.634 -0.378 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.872 -4.849 -2.642 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.886 -3.774 -3.611 1.00 0.00 C ATOM 1027 C VAL A 66 -4.506 -3.125 -3.680 1.00 0.00 C ATOM 1028 O VAL A 66 -4.027 -2.551 -2.702 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.973 -2.738 -3.222 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.796 -1.411 -3.936 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.356 -3.296 -3.514 1.00 0.00 C ATOM 0 H VAL A 66 -5.611 -4.553 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.126 -4.169 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.865 -2.550 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.583 -0.724 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.824 -0.988 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.853 -1.567 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.111 -2.560 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.441 -3.520 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.510 -4.208 -2.937 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.849 -3.256 -4.820 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.535 -2.668 -4.991 1.00 0.00 C ATOM 1043 C ARG A 67 -2.648 -1.450 -5.890 1.00 0.00 C ATOM 1044 O ARG A 67 -3.454 -1.430 -6.822 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.522 -3.671 -5.567 1.00 0.00 C ATOM 1046 CG ARG A 67 -1.757 -4.047 -7.017 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.463 -4.498 -7.674 1.00 0.00 C ATOM 1048 NE ARG A 67 0.095 -5.702 -7.052 1.00 0.00 N ATOM 1049 CZ ARG A 67 1.207 -6.304 -7.470 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.934 -5.756 -8.438 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 1.616 -7.430 -6.893 1.00 0.00 N ATOM 0 H ARG A 67 -4.202 -3.760 -5.634 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.163 -2.373 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.521 -3.250 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.545 -4.578 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.497 -4.845 -7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.166 -3.193 -7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.645 -4.691 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.269 -3.692 -7.618 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.397 -6.102 -6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.640 -4.875 -8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.786 -6.216 -8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.078 -7.836 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.468 -7.888 -7.216 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.854 -0.437 -5.604 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.959 0.822 -6.311 1.00 0.00 C ATOM 1067 C PHE A 68 -0.635 1.572 -6.332 1.00 0.00 C ATOM 1068 O PHE A 68 0.207 1.402 -5.448 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.051 1.705 -5.684 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.259 1.516 -4.207 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.228 1.708 -3.302 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.503 1.147 -3.725 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.437 1.536 -1.947 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.719 0.974 -2.374 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.685 1.168 -1.484 1.00 0.00 C ATOM 0 H PHE A 68 -1.129 -0.462 -4.887 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.230 0.592 -7.341 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.801 2.750 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.993 1.508 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.250 1.995 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.317 0.992 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.626 1.689 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.696 0.687 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.850 1.032 -0.425 1.00 0.00 H new ATOM 1085 N THR A 69 -0.461 2.373 -7.372 1.00 0.00 N ATOM 1086 CA THR A 69 0.654 3.300 -7.467 1.00 0.00 C ATOM 1087 C THR A 69 0.185 4.660 -6.997 1.00 0.00 C ATOM 1088 O THR A 69 -0.832 5.168 -7.472 1.00 0.00 O ATOM 1089 CB THR A 69 1.170 3.401 -8.909 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.395 2.088 -9.428 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.459 4.198 -8.964 1.00 0.00 C ATOM 0 H THR A 69 -1.090 2.398 -8.174 1.00 0.00 H new ATOM 0 HA THR A 69 1.473 2.939 -6.844 1.00 0.00 H new ATOM 0 HB THR A 69 0.420 3.913 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.723 2.152 -10.349 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.807 4.257 -9.995 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.281 5.204 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.217 3.707 -8.353 1.00 0.00 H new ATOM 1099 N LEU A 70 0.903 5.235 -6.057 1.00 0.00 N ATOM 1100 CA LEU A 70 0.432 6.421 -5.376 1.00 0.00 C ATOM 1101 C LEU A 70 1.346 7.610 -5.604 1.00 0.00 C ATOM 1102 O LEU A 70 2.571 7.492 -5.554 1.00 0.00 O ATOM 1103 CB LEU A 70 0.312 6.116 -3.892 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.558 4.902 -3.577 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.503 4.574 -2.095 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.989 5.152 -4.029 1.00 0.00 C ATOM 0 H LEU A 70 1.815 4.900 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.542 6.693 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.309 5.952 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.101 6.988 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.171 4.042 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.130 3.706 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.526 4.354 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.865 5.426 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.601 4.280 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.388 6.022 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.005 5.333 -5.104 1.00 0.00 H new ATOM 1118 N ASP A 71 0.726 8.749 -5.876 1.00 0.00 N ATOM 1119 CA ASP A 71 1.437 10.005 -6.058 1.00 0.00 C ATOM 1120 C ASP A 71 1.843 10.558 -4.703 1.00 0.00 C ATOM 1121 O ASP A 71 1.183 10.307 -3.700 1.00 0.00 O ATOM 1122 CB ASP A 71 0.532 11.006 -6.781 1.00 0.00 C ATOM 1123 CG ASP A 71 1.205 12.333 -7.070 1.00 0.00 C ATOM 1124 OD1 ASP A 71 1.182 13.219 -6.192 1.00 0.00 O ATOM 1125 OD2 ASP A 71 1.725 12.510 -8.191 1.00 0.00 O1- ATOM 0 H ASP A 71 -0.286 8.828 -5.977 1.00 0.00 H new ATOM 0 HA ASP A 71 2.331 9.835 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.195 10.567 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.357 11.183 -6.175 1.00 0.00 H new ATOM 1130 N ARG A 72 2.923 11.326 -4.699 1.00 0.00 N ATOM 1131 CA ARG A 72 3.505 11.878 -3.479 1.00 0.00 C ATOM 1132 C ARG A 72 2.529 12.796 -2.739 1.00 0.00 C ATOM 1133 O ARG A 72 2.641 12.978 -1.527 1.00 0.00 O ATOM 1134 CB ARG A 72 4.796 12.622 -3.836 1.00 0.00 C ATOM 1135 CG ARG A 72 5.482 13.327 -2.674 1.00 0.00 C ATOM 1136 CD ARG A 72 6.918 13.699 -3.029 1.00 0.00 C ATOM 1137 NE ARG A 72 7.015 14.381 -4.320 1.00 0.00 N ATOM 1138 CZ ARG A 72 7.450 13.806 -5.443 1.00 0.00 C ATOM 1139 NH1 ARG A 72 7.802 12.523 -5.449 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 7.514 14.514 -6.564 1.00 0.00 N ATOM 0 H ARG A 72 3.426 11.587 -5.547 1.00 0.00 H new ATOM 0 HA ARG A 72 3.730 11.056 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.497 11.911 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.570 13.360 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.925 14.226 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.477 12.679 -1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.327 14.342 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.529 12.797 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 72 6.732 15.360 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.740 11.973 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.134 12.089 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.231 15.494 -6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.846 14.078 -7.424 1.00 0.00 H new ATOM 1154 N GLN A 73 1.578 13.380 -3.462 1.00 0.00 N ATOM 1155 CA GLN A 73 0.557 14.206 -2.834 1.00 0.00 C ATOM 1156 C GLN A 73 -0.653 13.366 -2.426 1.00 0.00 C ATOM 1157 O GLN A 73 -1.614 13.877 -1.852 1.00 0.00 O ATOM 1158 CB GLN A 73 0.122 15.315 -3.782 1.00 0.00 C ATOM 1159 CG GLN A 73 1.266 16.194 -4.258 1.00 0.00 C ATOM 1160 CD GLN A 73 2.021 16.850 -3.116 1.00 0.00 C ATOM 1161 OE1 GLN A 73 1.636 17.911 -2.630 1.00 0.00 O ATOM 1162 NE2 GLN A 73 3.120 16.240 -2.706 1.00 0.00 N ATOM 0 H GLN A 73 1.495 13.297 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 73 0.986 14.649 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.367 14.870 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.620 15.938 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.959 15.593 -4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.873 16.967 -4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.405 15.360 -3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.682 16.649 -1.960 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.595 12.075 -2.725 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.670 11.177 -2.363 1.00 0.00 C ATOM 1173 C GLY A 74 -2.721 11.046 -3.443 1.00 0.00 C ATOM 1174 O GLY A 74 -3.912 10.935 -3.153 1.00 0.00 O ATOM 0 H GLY A 74 0.183 11.633 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.256 10.192 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.141 11.534 -1.447 1.00 0.00 H new ATOM 1178 N HIS A 75 -2.278 11.056 -4.684 1.00 0.00 N ATOM 1179 CA HIS A 75 -3.171 10.908 -5.823 1.00 0.00 C ATOM 1180 C HIS A 75 -3.049 9.504 -6.403 1.00 0.00 C ATOM 1181 O HIS A 75 -1.957 9.081 -6.785 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.836 11.969 -6.881 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.522 11.783 -8.204 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.751 12.326 -8.503 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.124 11.134 -9.320 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.075 12.017 -9.745 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -4.104 11.295 -10.262 1.00 0.00 N ATOM 0 H HIS A 75 -1.295 11.166 -4.934 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.202 11.053 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.100 12.950 -6.486 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.758 11.970 -7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.201 10.588 -9.446 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.984 12.308 -10.251 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.085 10.917 -11.209 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.162 8.779 -6.429 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.218 7.470 -7.067 1.00 0.00 C ATOM 1198 C VAL A 76 -3.727 7.542 -8.514 1.00 0.00 C ATOM 1199 O VAL A 76 -4.297 8.245 -9.349 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.654 6.886 -7.020 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.666 7.864 -7.601 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.723 5.553 -7.751 1.00 0.00 C ATOM 0 H VAL A 76 -5.043 9.079 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.557 6.806 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.907 6.718 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.663 7.426 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.649 8.790 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.412 8.077 -8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.740 5.164 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.437 5.694 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.042 4.844 -7.280 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.645 6.834 -8.793 1.00 0.00 N ATOM 1213 CA LEU A 77 -2.069 6.810 -10.128 1.00 0.00 C ATOM 1214 C LEU A 77 -2.449 5.524 -10.849 1.00 0.00 C ATOM 1215 O LEU A 77 -2.706 5.520 -12.054 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.546 6.921 -10.043 1.00 0.00 C ATOM 1217 CG LEU A 77 -0.024 8.177 -9.348 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.452 8.030 -9.015 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.252 9.397 -10.224 1.00 0.00 C ATOM 0 H LEU A 77 -2.145 6.265 -8.109 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.462 7.658 -10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.163 6.047 -9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.138 6.888 -11.053 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.573 8.310 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.805 8.935 -8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.592 7.176 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.018 7.874 -9.933 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.125 10.285 -9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.274 9.269 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.319 9.513 -10.415 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.485 4.439 -10.095 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.793 3.128 -10.640 1.00 0.00 C ATOM 1233 C ALA A 78 -3.537 2.309 -9.607 1.00 0.00 C ATOM 1234 O ALA A 78 -3.369 2.537 -8.418 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.515 2.411 -11.037 1.00 0.00 C ATOM 0 H ALA A 78 -2.302 4.441 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.418 3.251 -11.525 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.760 1.430 -11.444 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.989 2.996 -11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.878 2.292 -10.161 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.350 1.368 -10.062 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.077 0.470 -9.178 1.00 0.00 C ATOM 1243 C VAL A 79 -5.237 -0.889 -9.841 1.00 0.00 C ATOM 1244 O VAL A 79 -5.596 -0.977 -11.018 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.476 1.011 -8.790 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.371 2.024 -7.667 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -7.183 1.627 -9.989 1.00 0.00 C ATOM 0 H VAL A 79 -4.524 1.205 -11.054 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.491 0.386 -8.263 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.069 0.165 -8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.366 2.389 -7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.923 1.553 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.749 2.860 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.162 1.997 -9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.588 2.453 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.307 0.872 -10.766 1.00 0.00 H new ATOM 1257 N THR A 80 -4.938 -1.938 -9.103 1.00 0.00 N ATOM 1258 CA THR A 80 -5.055 -3.289 -9.614 1.00 0.00 C ATOM 1259 C THR A 80 -5.518 -4.234 -8.513 1.00 0.00 C ATOM 1260 O THR A 80 -5.000 -4.196 -7.393 1.00 0.00 O ATOM 1261 CB THR A 80 -3.707 -3.776 -10.180 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.243 -2.856 -11.175 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.829 -5.163 -10.791 1.00 0.00 C ATOM 0 H THR A 80 -4.609 -1.880 -8.139 1.00 0.00 H new ATOM 0 HA THR A 80 -5.793 -3.284 -10.416 1.00 0.00 H new ATOM 0 HB THR A 80 -2.995 -3.828 -9.357 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.385 -3.166 -11.533 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.860 -5.476 -11.180 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.158 -5.869 -10.028 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.556 -5.140 -11.603 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.506 -5.059 -8.824 1.00 0.00 N ATOM 1272 CA LEU A 81 -6.985 -6.054 -7.884 1.00 0.00 C ATOM 1273 C LEU A 81 -5.989 -7.199 -7.817 1.00 0.00 C ATOM 1274 O LEU A 81 -5.692 -7.841 -8.823 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.362 -6.580 -8.290 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.003 -7.534 -7.282 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.366 -6.796 -6.004 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.229 -8.203 -7.883 1.00 0.00 C ATOM 0 H LEU A 81 -6.990 -5.057 -9.722 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.081 -5.589 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.030 -5.732 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.273 -7.092 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.278 -8.310 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.821 -7.492 -5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.466 -6.369 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.072 -5.998 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.671 -8.878 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.958 -7.443 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.938 -8.769 -8.768 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.472 -7.439 -6.631 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.409 -8.411 -6.445 1.00 0.00 C ATOM 1292 C VAL A 82 -4.996 -9.741 -6.000 1.00 0.00 C ATOM 1293 O VAL A 82 -4.681 -10.793 -6.555 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.395 -7.903 -5.400 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -1.972 -8.252 -5.794 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.543 -6.406 -5.206 1.00 0.00 C ATOM 0 H VAL A 82 -5.771 -6.973 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.890 -8.550 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.608 -8.402 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.283 -7.879 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.872 -9.334 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.737 -7.793 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.821 -6.062 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.363 -5.897 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.552 -6.182 -4.860 1.00 0.00 H new ATOM 1306 N SER A 83 -5.875 -9.677 -5.016 1.00 0.00 N ATOM 1307 CA SER A 83 -6.570 -10.859 -4.524 1.00 0.00 C ATOM 1308 C SER A 83 -8.004 -10.493 -4.180 1.00 0.00 C ATOM 1309 O SER A 83 -8.268 -9.376 -3.734 1.00 0.00 O ATOM 1310 CB SER A 83 -5.861 -11.437 -3.296 1.00 0.00 C ATOM 1311 OG SER A 83 -4.520 -11.798 -3.596 1.00 0.00 O ATOM 0 H SER A 83 -6.128 -8.813 -4.537 1.00 0.00 H new ATOM 0 HA SER A 83 -6.566 -11.621 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.871 -10.704 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.404 -12.312 -2.938 1.00 0.00 H new ATOM 0 HG SER A 83 -3.938 -11.542 -2.850 1.00 0.00 H new ATOM 1317 N SER A 84 -8.926 -11.413 -4.397 1.00 0.00 N ATOM 1318 CA SER A 84 -10.330 -11.136 -4.162 1.00 0.00 C ATOM 1319 C SER A 84 -11.016 -12.310 -3.478 1.00 0.00 C ATOM 1320 O SER A 84 -10.636 -13.467 -3.669 1.00 0.00 O ATOM 1321 CB SER A 84 -11.018 -10.818 -5.491 1.00 0.00 C ATOM 1322 OG SER A 84 -12.412 -10.607 -5.321 1.00 0.00 O ATOM 0 H SER A 84 -8.728 -12.355 -4.734 1.00 0.00 H new ATOM 0 HA SER A 84 -10.407 -10.275 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.566 -9.929 -5.932 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.856 -11.638 -6.190 1.00 0.00 H new ATOM 0 HG SER A 84 -12.820 -10.405 -6.189 1.00 0.00 H new ATOM 1328 N ALA A 85 -12.015 -12.002 -2.664 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.825 -13.022 -2.018 1.00 0.00 C ATOM 1330 C ALA A 85 -14.203 -13.089 -2.666 1.00 0.00 C ATOM 1331 O ALA A 85 -15.145 -13.659 -2.109 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.950 -12.732 -0.533 1.00 0.00 C ATOM 0 H ALA A 85 -12.285 -11.045 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.336 -13.988 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.559 -13.503 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.959 -12.724 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.422 -11.760 -0.391 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.317 -12.486 -3.843 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.573 -12.486 -4.556 1.00 0.00 C ATOM 1340 C GLY A 86 -16.427 -11.287 -4.208 1.00 0.00 C ATOM 1341 O GLY A 86 -17.391 -11.407 -3.451 1.00 0.00 O ATOM 0 H GLY A 86 -13.557 -11.996 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.380 -12.493 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.121 -13.400 -4.324 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.076 -10.125 -4.747 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.848 -8.907 -4.497 1.00 0.00 C ATOM 1347 C LEU A 87 -17.457 -8.387 -5.802 1.00 0.00 C ATOM 1348 O LEU A 87 -17.031 -7.354 -6.311 1.00 0.00 O ATOM 1349 CB LEU A 87 -15.984 -7.783 -3.891 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.042 -8.142 -2.729 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.711 -9.081 -1.753 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.735 -8.731 -3.234 1.00 0.00 C ATOM 0 H LEU A 87 -15.268 -9.998 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.628 -9.174 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.379 -7.358 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.654 -6.996 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.809 -7.217 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.021 -9.316 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.602 -8.606 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.994 -10.000 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.094 -8.973 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.940 -9.637 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.232 -8.006 -3.874 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.466 -9.073 -6.360 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.048 -8.681 -7.647 1.00 0.00 C ATOM 1366 C PRO A 88 -19.921 -7.436 -7.537 1.00 0.00 C ATOM 1367 O PRO A 88 -19.567 -6.372 -8.047 1.00 0.00 O ATOM 1368 CB PRO A 88 -19.879 -9.901 -8.049 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.219 -10.587 -6.766 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.117 -10.269 -5.795 1.00 0.00 C ATOM 0 HA PRO A 88 -18.284 -8.417 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.779 -9.604 -8.587 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.316 -10.560 -8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.180 -10.241 -6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.304 -11.663 -6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -19.510 -10.074 -4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.415 -11.098 -5.704 1.00 0.00 H new ATOM 1378 N SER A 89 -21.051 -7.566 -6.863 1.00 0.00 N ATOM 1379 CA SER A 89 -21.935 -6.438 -6.628 1.00 0.00 C ATOM 1380 C SER A 89 -21.316 -5.494 -5.604 1.00 0.00 C ATOM 1381 O SER A 89 -21.713 -4.346 -5.480 1.00 0.00 O ATOM 1382 CB SER A 89 -23.293 -6.932 -6.131 1.00 0.00 C ATOM 1383 OG SER A 89 -23.773 -7.994 -6.938 1.00 0.00 O ATOM 0 H SER A 89 -21.379 -8.447 -6.467 1.00 0.00 H new ATOM 0 HA SER A 89 -22.077 -5.899 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.206 -7.266 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 89 -24.009 -6.110 -6.141 1.00 0.00 H new ATOM 0 HG SER A 89 -24.642 -8.295 -6.600 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.354 -6.007 -4.852 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.718 -5.240 -3.790 1.00 0.00 C ATOM 1391 C LEU A 90 -18.700 -4.233 -4.335 1.00 0.00 C ATOM 1392 O LEU A 90 -18.534 -3.152 -3.767 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.032 -6.194 -2.812 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.928 -7.287 -2.231 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.075 -8.357 -1.575 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.914 -6.693 -1.236 1.00 0.00 C ATOM 0 H LEU A 90 -19.995 -6.956 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.495 -4.673 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.192 -6.667 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.619 -5.610 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.500 -7.745 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.719 -9.134 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.407 -8.795 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.485 -7.912 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.545 -7.485 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.367 -6.214 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.538 -5.954 -1.739 1.00 0.00 H new ATOM 1408 N ASP A 91 -18.046 -4.589 -5.447 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.939 -3.795 -6.006 1.00 0.00 C ATOM 1410 C ASP A 91 -17.335 -2.341 -6.219 1.00 0.00 C ATOM 1411 O ASP A 91 -16.542 -1.433 -5.970 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.468 -4.404 -7.338 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.512 -3.498 -8.106 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.287 -3.561 -7.867 1.00 0.00 O1- ATOM 1415 OD2 ASP A 91 -15.986 -2.719 -8.964 1.00 0.00 O ATOM 0 H ASP A 91 -18.265 -5.429 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 91 -16.124 -3.818 -5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.977 -5.357 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.337 -4.616 -7.961 1.00 0.00 H new ATOM 1420 N ARG A 92 -18.569 -2.125 -6.646 1.00 0.00 N ATOM 1421 CA ARG A 92 -19.049 -0.785 -6.967 1.00 0.00 C ATOM 1422 C ARG A 92 -18.836 0.200 -5.808 1.00 0.00 C ATOM 1423 O ARG A 92 -18.196 1.236 -5.982 1.00 0.00 O ATOM 1424 CB ARG A 92 -20.534 -0.851 -7.336 1.00 0.00 C ATOM 1425 CG ARG A 92 -21.381 -1.546 -6.284 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.816 -1.741 -6.730 1.00 0.00 C ATOM 1427 NE ARG A 92 -23.531 -0.475 -6.878 1.00 0.00 N ATOM 1428 CZ ARG A 92 -24.489 -0.263 -7.780 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.756 -1.180 -8.704 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -25.157 0.884 -7.778 1.00 0.00 N ATOM 0 H ARG A 92 -19.261 -2.862 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 92 -18.470 -0.416 -7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.910 0.161 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -20.643 -1.375 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.941 -2.516 -6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.366 -0.960 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.829 -2.275 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -23.337 -2.367 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 92 -23.282 0.292 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.227 -2.052 -8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -25.490 -1.012 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -24.937 1.601 -7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -25.891 1.048 -8.467 1.00 0.00 H new ATOM 1444 N GLU A 93 -19.339 -0.132 -4.626 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.278 0.766 -3.489 1.00 0.00 C ATOM 1446 C GLU A 93 -17.905 0.772 -2.826 1.00 0.00 C ATOM 1447 O GLU A 93 -17.277 1.826 -2.687 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.334 0.372 -2.471 1.00 0.00 C ATOM 1449 CG GLU A 93 -21.656 1.114 -2.621 1.00 0.00 C ATOM 1450 CD GLU A 93 -22.420 0.709 -3.865 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -23.182 -0.279 -3.800 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -22.265 1.373 -4.911 1.00 0.00 O ATOM 0 H GLU A 93 -19.796 -1.023 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.466 1.774 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.520 -0.699 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.942 0.551 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -22.274 0.926 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.464 2.186 -2.652 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.439 -0.413 -2.438 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.216 -0.535 -1.647 1.00 0.00 C ATOM 1461 C ILE A 94 -15.012 0.039 -2.382 1.00 0.00 C ATOM 1462 O ILE A 94 -14.147 0.674 -1.780 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.923 -2.001 -1.239 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.707 -2.892 -2.466 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -17.063 -2.544 -0.391 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.331 -4.318 -2.123 1.00 0.00 C ATOM 0 H ILE A 94 -17.889 -1.302 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.386 0.044 -0.740 1.00 0.00 H new ATOM 0 HB ILE A 94 -15.003 -2.009 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.618 -2.900 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.923 -2.458 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.848 -3.575 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.169 -1.937 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.990 -2.510 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.194 -4.889 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.403 -4.322 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.125 -4.771 -1.529 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.954 -0.181 -3.679 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.865 0.326 -4.465 1.00 0.00 C ATOM 1480 C GLN A 95 -14.107 1.763 -4.895 1.00 0.00 C ATOM 1481 O GLN A 95 -13.182 2.469 -5.254 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.663 -0.535 -5.685 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.440 -2.011 -5.384 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.130 -2.292 -4.684 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.154 -1.560 -4.835 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.093 -3.379 -3.939 1.00 0.00 N ATOM 0 H GLN A 95 -15.651 -0.708 -4.205 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.970 0.302 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.534 -0.436 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.807 -0.157 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.259 -2.375 -4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.472 -2.573 -6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.927 -3.959 -3.841 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.231 -3.640 -3.461 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.348 2.194 -4.892 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.637 3.576 -5.253 1.00 0.00 C ATOM 1497 C ALA A 96 -14.831 4.526 -4.379 1.00 0.00 C ATOM 1498 O ALA A 96 -14.073 5.354 -4.890 1.00 0.00 O ATOM 1499 CB ALA A 96 -17.121 3.881 -5.129 1.00 0.00 C ATOM 0 H ALA A 96 -16.161 1.628 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 96 -15.351 3.718 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -17.303 4.920 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.684 3.225 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.441 3.718 -4.100 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.946 4.376 -3.066 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.182 5.231 -2.170 1.00 0.00 C ATOM 1507 C LEU A 97 -12.709 4.807 -2.085 1.00 0.00 C ATOM 1508 O LEU A 97 -11.824 5.638 -2.235 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.858 5.408 -0.783 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.950 4.228 0.213 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.537 2.961 -0.383 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.626 3.971 0.913 1.00 0.00 C ATOM 0 H LEU A 97 -15.545 3.689 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.181 6.227 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.334 6.217 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.876 5.753 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.666 4.545 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.568 2.181 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.548 3.161 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.918 2.630 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.736 3.134 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.863 3.733 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.328 4.861 1.467 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.442 3.522 -1.873 1.00 0.00 N ATOM 1525 CA VAL A 98 -11.053 3.043 -1.758 1.00 0.00 C ATOM 1526 C VAL A 98 -10.279 3.079 -3.087 1.00 0.00 C ATOM 1527 O VAL A 98 -9.174 3.623 -3.151 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.991 1.604 -1.195 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.584 1.029 -1.320 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.441 1.584 0.256 1.00 0.00 C ATOM 0 H VAL A 98 -13.152 2.796 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.576 3.739 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.667 0.981 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.568 0.016 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.292 1.006 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.885 1.653 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.392 0.564 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.788 2.225 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.466 1.948 0.324 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.860 2.525 -4.145 1.00 0.00 N ATOM 1541 CA LYS A 99 -10.141 2.338 -5.407 1.00 0.00 C ATOM 1542 C LYS A 99 -10.002 3.657 -6.170 1.00 0.00 C ATOM 1543 O LYS A 99 -9.014 3.869 -6.873 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.837 1.280 -6.289 1.00 0.00 C ATOM 1545 CG LYS A 99 -10.127 0.997 -7.609 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.990 0.167 -8.555 1.00 0.00 C ATOM 1547 CE LYS A 99 -11.315 -1.208 -7.983 1.00 0.00 C ATOM 1548 NZ LYS A 99 -12.288 -1.949 -8.835 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.826 2.197 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.141 1.981 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.916 0.350 -5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.853 1.612 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.866 1.940 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.193 0.470 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.918 0.701 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.472 0.049 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.397 -1.789 -7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.724 -1.096 -6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.775 -2.667 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.987 -1.284 -9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.782 -2.414 -9.616 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.978 4.553 -6.043 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.894 5.821 -6.756 1.00 0.00 C ATOM 1564 C ARG A 100 -10.166 6.874 -5.920 1.00 0.00 C ATOM 1565 O ARG A 100 -9.678 7.872 -6.448 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.286 6.315 -7.164 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.262 7.582 -8.008 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.300 7.454 -9.183 1.00 0.00 C ATOM 1569 NE ARG A 100 -11.656 6.356 -10.085 1.00 0.00 N ATOM 1570 CZ ARG A 100 -10.776 5.471 -10.558 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -9.499 5.535 -10.188 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -11.172 4.522 -11.396 1.00 0.00 N ATOM 0 H ARG A 100 -11.813 4.430 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.316 5.655 -7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.793 5.527 -7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.875 6.499 -6.265 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.265 7.792 -8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.968 8.428 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -11.289 8.390 -9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.290 7.296 -8.805 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.632 6.263 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.191 6.261 -9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.828 4.858 -10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.150 4.468 -11.680 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.498 3.846 -11.757 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.079 6.645 -4.622 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.381 7.567 -3.739 1.00 0.00 C ATOM 1588 C ALA A 101 -8.227 6.876 -3.027 1.00 0.00 C ATOM 1589 O ALA A 101 -8.170 6.858 -1.799 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.340 8.172 -2.724 1.00 0.00 C ATOM 0 H ALA A 101 -10.481 5.832 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.972 8.370 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.797 8.858 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.128 8.714 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.783 7.378 -2.123 1.00 0.00 H new ATOM 1596 N SER A 102 -7.318 6.296 -3.802 1.00 0.00 N ATOM 1597 CA SER A 102 -6.140 5.649 -3.243 1.00 0.00 C ATOM 1598 C SER A 102 -5.077 6.694 -2.905 1.00 0.00 C ATOM 1599 O SER A 102 -4.453 7.278 -3.793 1.00 0.00 O ATOM 1600 CB SER A 102 -5.598 4.608 -4.222 1.00 0.00 C ATOM 1601 OG SER A 102 -6.620 3.699 -4.599 1.00 0.00 O ATOM 0 H SER A 102 -7.375 6.261 -4.820 1.00 0.00 H new ATOM 0 HA SER A 102 -6.416 5.136 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.201 5.105 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.772 4.065 -3.764 1.00 0.00 H new ATOM 0 HG SER A 102 -7.388 3.802 -3.999 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.893 6.960 -1.607 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.057 8.033 -1.110 1.00 0.00 C ATOM 1609 C PRO A 103 -2.681 7.584 -0.603 1.00 0.00 C ATOM 1610 O PRO A 103 -2.446 6.406 -0.344 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.910 8.543 0.050 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.723 7.365 0.513 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.527 6.258 -0.494 1.00 0.00 C ATOM 0 HA PRO A 103 -3.810 8.759 -1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.284 8.927 0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.555 9.361 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.403 7.043 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.777 7.632 0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.895 5.460 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.473 5.802 -0.786 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.792 8.556 -0.435 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.433 8.313 0.041 1.00 0.00 C ATOM 1623 C LEU A 104 -0.017 9.451 0.974 1.00 0.00 C ATOM 1624 O LEU A 104 0.434 10.499 0.516 1.00 0.00 O ATOM 1625 CB LEU A 104 0.530 8.228 -1.151 1.00 0.00 C ATOM 1626 CG LEU A 104 1.992 7.918 -0.815 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.159 6.474 -0.363 1.00 0.00 C ATOM 1628 CD2 LEU A 104 2.876 8.201 -2.018 1.00 0.00 C ATOM 0 H LEU A 104 -1.993 9.538 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.399 7.369 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.165 7.461 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.495 9.175 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 104 2.295 8.564 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.207 6.284 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.554 6.299 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.836 5.804 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.913 7.977 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.562 7.578 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.788 9.252 -2.295 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.200 9.277 2.291 1.00 0.00 N ATOM 1641 CA PRO A 105 0.074 10.332 3.268 1.00 0.00 C ATOM 1642 C PRO A 105 1.557 10.518 3.568 1.00 0.00 C ATOM 1643 O PRO A 105 2.060 11.640 3.554 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.669 9.868 4.514 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.772 8.385 4.390 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.698 8.047 2.925 1.00 0.00 C ATOM 0 HA PRO A 105 -0.247 11.304 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.131 10.149 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.656 10.326 4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.035 7.898 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.709 8.029 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.027 7.207 2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.675 7.765 2.532 1.00 0.00 H new ATOM 1654 N THR A 106 2.248 9.427 3.862 1.00 0.00 N ATOM 1655 CA THR A 106 3.663 9.485 4.169 1.00 0.00 C ATOM 1656 C THR A 106 4.473 9.362 2.885 1.00 0.00 C ATOM 1657 O THR A 106 4.487 8.303 2.262 1.00 0.00 O ATOM 1658 CB THR A 106 4.062 8.364 5.147 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.170 8.357 6.276 1.00 0.00 O ATOM 1660 CG2 THR A 106 5.494 8.547 5.632 1.00 0.00 C ATOM 0 H THR A 106 1.847 8.490 3.894 1.00 0.00 H new ATOM 0 HA THR A 106 3.873 10.444 4.643 1.00 0.00 H new ATOM 0 HB THR A 106 3.993 7.413 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.429 7.641 6.893 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.750 7.742 6.321 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.173 8.525 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.585 9.505 6.143 1.00 0.00 H new ATOM 1668 N PRO A 107 5.135 10.454 2.465 1.00 0.00 N ATOM 1669 CA PRO A 107 5.890 10.499 1.210 1.00 0.00 C ATOM 1670 C PRO A 107 7.100 9.572 1.225 1.00 0.00 C ATOM 1671 O PRO A 107 8.097 9.838 1.899 1.00 0.00 O ATOM 1672 CB PRO A 107 6.338 11.963 1.095 1.00 0.00 C ATOM 1673 CG PRO A 107 5.507 12.710 2.083 1.00 0.00 C ATOM 1674 CD PRO A 107 5.199 11.734 3.180 1.00 0.00 C ATOM 0 HA PRO A 107 5.284 10.164 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.400 12.067 1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.184 12.343 0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.044 13.576 2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.592 13.082 1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.973 11.731 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.258 11.968 3.677 1.00 0.00 H new ATOM 1682 N PRO A 108 7.025 8.466 0.480 1.00 0.00 N ATOM 1683 CA PRO A 108 8.094 7.485 0.405 1.00 0.00 C ATOM 1684 C PRO A 108 9.085 7.811 -0.702 1.00 0.00 C ATOM 1685 O PRO A 108 9.273 7.032 -1.637 1.00 0.00 O ATOM 1686 CB PRO A 108 7.327 6.206 0.096 1.00 0.00 C ATOM 1687 CG PRO A 108 6.206 6.658 -0.780 1.00 0.00 C ATOM 1688 CD PRO A 108 5.874 8.069 -0.353 1.00 0.00 C ATOM 0 HA PRO A 108 8.699 7.434 1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.958 5.475 -0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.957 5.733 1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.497 6.628 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.340 6.005 -0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.756 8.729 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.941 8.107 0.210 1.00 0.00 H new ATOM 1696 N ALA A 109 9.704 8.980 -0.598 1.00 0.00 N ATOM 1697 CA ALA A 109 10.702 9.404 -1.570 1.00 0.00 C ATOM 1698 C ALA A 109 11.797 8.356 -1.688 1.00 0.00 C ATOM 1699 O ALA A 109 12.144 7.919 -2.787 1.00 0.00 O ATOM 1700 CB ALA A 109 11.292 10.749 -1.181 1.00 0.00 C ATOM 0 H ALA A 109 9.532 9.651 0.150 1.00 0.00 H new ATOM 0 HA ALA A 109 10.217 9.513 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.035 11.048 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.499 11.496 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.765 10.669 -0.202 1.00 0.00 H new ATOM 1706 N ASP A 110 12.279 7.902 -0.537 1.00 0.00 N ATOM 1707 CA ASP A 110 13.366 6.931 -0.476 1.00 0.00 C ATOM 1708 C ASP A 110 12.877 5.524 -0.813 1.00 0.00 C ATOM 1709 O ASP A 110 13.593 4.550 -0.609 1.00 0.00 O ATOM 1710 CB ASP A 110 14.009 6.928 0.917 1.00 0.00 C ATOM 1711 CG ASP A 110 14.512 8.294 1.334 1.00 0.00 C ATOM 1712 OD1 ASP A 110 13.701 9.088 1.865 1.00 0.00 O ATOM 1713 OD2 ASP A 110 15.711 8.579 1.137 1.00 0.00 O1- ATOM 0 H ASP A 110 11.930 8.194 0.376 1.00 0.00 H new ATOM 0 HA ASP A 110 14.108 7.227 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.281 6.575 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.839 6.221 0.928 1.00 0.00 H new ATOM 1718 N ALA A 111 11.647 5.418 -1.297 1.00 0.00 N ATOM 1719 CA ALA A 111 11.081 4.126 -1.656 1.00 0.00 C ATOM 1720 C ALA A 111 10.878 4.001 -3.159 1.00 0.00 C ATOM 1721 O ALA A 111 10.960 2.908 -3.720 1.00 0.00 O ATOM 1722 CB ALA A 111 9.754 3.923 -0.949 1.00 0.00 C ATOM 0 H ALA A 111 11.023 6.210 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 111 11.788 3.359 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.339 2.953 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.907 3.959 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.061 4.711 -1.243 1.00 0.00 H new ATOM 1728 N TYR A 112 10.620 5.123 -3.817 1.00 0.00 N ATOM 1729 CA TYR A 112 10.207 5.087 -5.212 1.00 0.00 C ATOM 1730 C TYR A 112 11.132 5.852 -6.130 1.00 0.00 C ATOM 1731 O TYR A 112 10.747 6.226 -7.239 1.00 0.00 O ATOM 1732 CB TYR A 112 8.766 5.537 -5.392 1.00 0.00 C ATOM 1733 CG TYR A 112 8.402 6.901 -4.854 1.00 0.00 C ATOM 1734 CD1 TYR A 112 9.295 7.962 -4.860 1.00 0.00 C ATOM 1735 CD2 TYR A 112 7.133 7.116 -4.346 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.932 9.197 -4.366 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.759 8.341 -3.853 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.663 9.384 -3.864 1.00 0.00 C ATOM 1739 OH TYR A 112 7.301 10.613 -3.367 1.00 0.00 O ATOM 0 H TYR A 112 10.688 6.057 -3.414 1.00 0.00 H new ATOM 0 HA TYR A 112 10.273 4.040 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.536 5.521 -6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.119 4.801 -4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.289 7.819 -5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.422 6.303 -4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.639 10.013 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.764 8.488 -3.459 1.00 0.00 H new ATOM 0 HH TYR A 112 7.778 10.780 -2.528 1.00 0.00 H new ATOM 1749 N VAL A 113 12.330 6.115 -5.667 1.00 0.00 N ATOM 1750 CA VAL A 113 13.330 6.721 -6.535 1.00 0.00 C ATOM 1751 C VAL A 113 13.765 5.685 -7.567 1.00 0.00 C ATOM 1752 O VAL A 113 14.741 4.953 -7.392 1.00 0.00 O ATOM 1753 CB VAL A 113 14.557 7.268 -5.759 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.237 8.626 -5.148 1.00 0.00 C ATOM 1755 CG2 VAL A 113 15.009 6.297 -4.673 1.00 0.00 C ATOM 0 H VAL A 113 12.640 5.926 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 113 12.877 7.584 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 113 15.375 7.381 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.108 8.996 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.976 9.329 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.398 8.527 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.870 6.712 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 113 14.196 6.139 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.285 5.345 -5.128 1.00 0.00 H new ATOM 1765 N ASN A 114 13.007 5.686 -8.659 1.00 0.00 N ATOM 1766 CA ASN A 114 13.025 4.656 -9.698 1.00 0.00 C ATOM 1767 C ASN A 114 11.706 4.724 -10.467 1.00 0.00 C ATOM 1768 O ASN A 114 11.561 4.151 -11.546 1.00 0.00 O ATOM 1769 CB ASN A 114 13.229 3.232 -9.126 1.00 0.00 C ATOM 1770 CG ASN A 114 12.255 2.814 -8.015 1.00 0.00 C ATOM 1771 OD1 ASN A 114 12.636 2.082 -7.103 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.000 3.239 -8.077 1.00 0.00 N ATOM 0 H ASN A 114 12.338 6.431 -8.854 1.00 0.00 H new ATOM 0 HA ASN A 114 13.873 4.851 -10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.146 2.517 -9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.245 3.158 -8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.331 2.959 -7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 114 10.704 3.846 -8.842 1.00 0.00 H new ATOM 1779 N GLY A 115 10.736 5.425 -9.873 1.00 0.00 N ATOM 1780 CA GLY A 115 9.432 5.586 -10.482 1.00 0.00 C ATOM 1781 C GLY A 115 8.390 6.067 -9.487 1.00 0.00 C ATOM 1782 O GLY A 115 8.229 7.269 -9.278 1.00 0.00 O ATOM 0 H GLY A 115 10.839 5.887 -8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.502 6.298 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.112 4.636 -10.909 1.00 0.00 H new ATOM 1786 N THR A 116 7.714 5.122 -8.850 1.00 0.00 N ATOM 1787 CA THR A 116 6.611 5.411 -7.941 1.00 0.00 C ATOM 1788 C THR A 116 6.370 4.206 -7.041 1.00 0.00 C ATOM 1789 O THR A 116 7.043 3.189 -7.187 1.00 0.00 O ATOM 1790 CB THR A 116 5.314 5.763 -8.696 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.353 5.240 -10.030 1.00 0.00 O ATOM 1792 CG2 THR A 116 5.091 7.267 -8.733 1.00 0.00 C ATOM 0 H THR A 116 7.915 4.127 -8.949 1.00 0.00 H new ATOM 0 HA THR A 116 6.889 6.280 -7.345 1.00 0.00 H new ATOM 0 HB THR A 116 4.482 5.307 -8.160 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.602 5.601 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.169 7.485 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.015 7.649 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.929 7.747 -9.239 1.00 0.00 H new ATOM 1800 N VAL A 117 5.436 4.315 -6.105 1.00 0.00 N ATOM 1801 CA VAL A 117 5.176 3.212 -5.192 1.00 0.00 C ATOM 1802 C VAL A 117 3.918 2.466 -5.591 1.00 0.00 C ATOM 1803 O VAL A 117 2.807 2.986 -5.500 1.00 0.00 O ATOM 1804 CB VAL A 117 5.036 3.661 -3.709 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.378 4.080 -3.138 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.013 4.784 -3.546 1.00 0.00 C ATOM 0 H VAL A 117 4.855 5.141 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 117 6.047 2.561 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 117 4.673 2.800 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.251 4.389 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.071 3.240 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.777 4.912 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.947 5.067 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.323 5.647 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.038 4.441 -3.891 1.00 0.00 H new ATOM 1816 N GLU A 118 4.111 1.254 -6.076 1.00 0.00 N ATOM 1817 CA GLU A 118 3.010 0.356 -6.318 1.00 0.00 C ATOM 1818 C GLU A 118 3.079 -0.754 -5.288 1.00 0.00 C ATOM 1819 O GLU A 118 3.962 -1.612 -5.343 1.00 0.00 O ATOM 1820 CB GLU A 118 3.089 -0.235 -7.726 1.00 0.00 C ATOM 1821 CG GLU A 118 1.832 -0.984 -8.135 1.00 0.00 C ATOM 1822 CD GLU A 118 2.035 -1.820 -9.380 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.163 -1.242 -10.476 1.00 0.00 O ATOM 1824 OE2 GLU A 118 2.076 -3.064 -9.265 1.00 0.00 O1- ATOM 0 H GLU A 118 5.027 0.872 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 118 2.068 0.898 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.274 0.568 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.941 -0.912 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.515 -1.629 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.027 -0.269 -8.308 1.00 0.00 H new ATOM 1831 N LEU A 119 2.140 -0.754 -4.367 1.00 0.00 N ATOM 1832 CA LEU A 119 2.192 -1.675 -3.251 1.00 0.00 C ATOM 1833 C LEU A 119 0.830 -2.305 -3.012 1.00 0.00 C ATOM 1834 O LEU A 119 -0.205 -1.715 -3.329 1.00 0.00 O ATOM 1835 CB LEU A 119 2.702 -0.950 -2.001 1.00 0.00 C ATOM 1836 CG LEU A 119 1.830 0.200 -1.504 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.125 -0.204 -0.236 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.659 1.456 -1.284 1.00 0.00 C ATOM 0 H LEU A 119 1.334 -0.129 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 119 2.887 -2.481 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.804 -1.678 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.699 -0.562 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 119 1.083 0.426 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.504 0.621 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.497 -1.074 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.863 -0.452 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.014 2.260 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.431 1.257 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.127 1.752 -2.223 1.00 0.00 H new ATOM 1850 N THR A 120 0.842 -3.503 -2.462 1.00 0.00 N ATOM 1851 CA THR A 120 -0.369 -4.273 -2.280 1.00 0.00 C ATOM 1852 C THR A 120 -0.921 -4.107 -0.870 1.00 0.00 C ATOM 1853 O THR A 120 -0.297 -4.535 0.105 1.00 0.00 O ATOM 1854 CB THR A 120 -0.107 -5.763 -2.553 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.377 -5.936 -3.896 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.374 -6.576 -2.345 1.00 0.00 C ATOM 0 H THR A 120 1.688 -3.967 -2.131 1.00 0.00 H new ATOM 0 HA THR A 120 -1.106 -3.898 -2.991 1.00 0.00 H new ATOM 0 HB THR A 120 0.648 -6.118 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.544 -6.887 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.168 -7.628 -2.543 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.716 -6.461 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.148 -6.223 -3.026 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.081 -3.482 -0.761 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.730 -3.319 0.528 1.00 0.00 C ATOM 1866 C LEU A 121 -4.088 -3.991 0.533 1.00 0.00 C ATOM 1867 O LEU A 121 -4.937 -3.706 -0.307 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.874 -1.838 0.879 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.557 -1.126 1.163 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.795 0.321 1.558 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.787 -1.865 2.247 1.00 0.00 C ATOM 0 H LEU A 121 -2.591 -3.080 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.104 -3.795 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.377 -1.330 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.519 -1.746 1.753 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.960 -1.126 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.839 0.806 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.305 0.840 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.412 0.356 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.153 -1.348 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.382 -1.894 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.579 -2.883 1.916 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.309 -4.922 1.463 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.610 -5.538 1.630 1.00 0.00 C ATOM 1885 C PRO A 122 -6.599 -4.545 2.216 1.00 0.00 C ATOM 1886 O PRO A 122 -6.404 -4.038 3.323 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.359 -6.690 2.614 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.874 -6.812 2.722 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.322 -5.452 2.409 1.00 0.00 C ATOM 0 HA PRO A 122 -6.035 -5.879 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.806 -6.480 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.803 -7.618 2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.581 -7.131 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.492 -7.558 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.240 -4.831 3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.327 -5.509 1.968 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.653 -4.268 1.478 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.693 -3.387 1.960 1.00 0.00 C ATOM 1899 C ILE A 123 -9.775 -4.244 2.598 1.00 0.00 C ATOM 1900 O ILE A 123 -10.345 -5.127 1.950 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.288 -2.498 0.827 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -10.066 -3.333 -0.187 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.181 -1.735 0.107 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.815 -2.499 -1.201 1.00 0.00 C ATOM 0 H ILE A 123 -7.811 -4.641 0.542 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.266 -2.700 2.691 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.973 -1.791 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.374 -3.993 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.774 -3.969 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.616 -1.120 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.657 -1.097 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.478 -2.443 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.346 -3.155 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.531 -1.857 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.109 -1.882 -1.757 1.00 0.00 H new ATOM 1916 N ASP A 124 -10.023 -4.051 3.879 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.935 -4.943 4.553 1.00 0.00 C ATOM 1918 C ASP A 124 -12.264 -4.283 4.862 1.00 0.00 C ATOM 1919 O ASP A 124 -12.353 -3.261 5.549 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.299 -5.485 5.841 1.00 0.00 C ATOM 1921 CG ASP A 124 -10.057 -4.415 6.893 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -9.197 -3.532 6.672 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -10.724 -4.454 7.948 1.00 0.00 O ATOM 0 H ASP A 124 -9.620 -3.311 4.454 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.135 -5.771 3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.946 -6.256 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.351 -5.963 5.595 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.293 -4.881 4.309 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.648 -4.705 4.769 1.00 0.00 C ATOM 1930 C PHE A 125 -15.092 -6.067 5.275 1.00 0.00 C ATOM 1931 O PHE A 125 -14.969 -7.047 4.541 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.560 -4.217 3.634 1.00 0.00 C ATOM 1933 CG PHE A 125 -15.113 -2.934 2.984 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -14.054 -2.922 2.089 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.759 -1.742 3.261 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.646 -1.749 1.487 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -15.355 -0.562 2.662 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.297 -0.567 1.773 1.00 0.00 C ATOM 0 H PHE A 125 -13.209 -5.514 3.513 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.706 -3.949 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.619 -4.994 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.567 -4.079 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.541 -3.844 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.588 -1.733 3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.818 -1.757 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.866 0.362 2.889 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.981 0.353 1.303 1.00 0.00 H new ATOM 1948 N SER A 126 -15.581 -6.152 6.503 1.00 0.00 N ATOM 1949 CA SER A 126 -15.877 -7.450 7.112 1.00 0.00 C ATOM 1950 C SER A 126 -16.853 -8.254 6.247 1.00 0.00 C ATOM 1951 O SER A 126 -18.053 -7.985 6.221 1.00 0.00 O ATOM 1952 CB SER A 126 -16.439 -7.241 8.515 1.00 0.00 C ATOM 1953 OG SER A 126 -15.596 -6.383 9.269 1.00 0.00 O ATOM 0 H SER A 126 -15.782 -5.348 7.097 1.00 0.00 H new ATOM 0 HA SER A 126 -14.953 -8.024 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.439 -6.813 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.535 -8.202 9.021 1.00 0.00 H new ATOM 0 HG SER A 126 -15.882 -6.385 10.206 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.308 -9.246 5.544 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.049 -9.990 4.536 1.00 0.00 C ATOM 1961 C LEU A 127 -17.520 -11.326 5.087 1.00 0.00 C ATOM 1962 O LEU A 127 -16.730 -12.261 5.231 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.149 -10.244 3.320 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.840 -10.344 1.951 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -15.864 -10.867 0.918 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.072 -11.229 1.985 1.00 0.00 C ATOM 0 H LEU A 127 -15.342 -9.553 5.660 1.00 0.00 H new ATOM 0 HA LEU A 127 -17.918 -9.400 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.412 -9.442 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.601 -11.170 3.492 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.168 -9.340 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.361 -10.935 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.015 -10.188 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.513 -11.855 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.522 -11.265 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.788 -12.236 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.792 -10.823 2.695 1.00 0.00 H new ATOM 1978 N ARG A 128 -18.804 -11.422 5.375 1.00 0.00 N ATOM 1979 CA ARG A 128 -19.393 -12.675 5.776 1.00 0.00 C ATOM 1980 C ARG A 128 -19.816 -13.465 4.544 1.00 0.00 C ATOM 1981 O ARG A 128 -19.522 -14.656 4.423 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.586 -12.425 6.686 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.229 -11.718 7.986 1.00 0.00 C ATOM 1984 CD ARG A 128 -21.384 -11.766 8.971 1.00 0.00 C ATOM 1985 NE ARG A 128 -21.681 -13.136 9.383 1.00 0.00 N ATOM 1986 CZ ARG A 128 -22.848 -13.747 9.168 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -23.835 -13.105 8.547 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -23.030 -14.995 9.590 1.00 0.00 N ATOM 0 H ARG A 128 -19.458 -10.640 5.337 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.655 -13.257 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.322 -11.827 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.059 -13.379 6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.350 -12.187 8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.967 -10.680 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -21.141 -11.166 9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -22.270 -11.322 8.517 1.00 0.00 H new ATOM 0 HE ARG A 128 -20.950 -13.659 9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -23.701 -12.144 8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -24.726 -13.575 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -22.279 -15.483 10.077 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -23.921 -15.464 9.427 1.00 0.00 H new