USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 557 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 Single : A 40 THR OG1 : rot 47:sc= 0.00367 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0735 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -2.68! C(o=-2.7!,f=-4.7!) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= -0.442 (180deg=-1.5!) USER MOD Single : A 54 THR OG1 : rot 12:sc= 1.19 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -105:sc= 1.09 USER MOD Single : A 61 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.17) USER MOD Single : A 67 SER OG : rot 91:sc= 1.25 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0.711 (180deg=0.65) USER MOD Single : A 73 LYS NZ :NH3+ -116:sc= 0.338 (180deg=-2.1!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -178:sc= 0.269 (180deg=0.197) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 86 GLN : amide:sc= -3.55! K(o=-3.5!,f=0.17) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 68:sc= 1.21 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.234 K(o=0.23,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 557 N ARG A 38 -4.212 -13.082 -23.406 1.00 2.14 N ATOM 558 CA ARG A 38 -5.505 -12.616 -22.927 1.00 45.54 C ATOM 559 C ARG A 38 -5.503 -12.566 -21.402 1.00 2.05 C ATOM 560 O ARG A 38 -6.118 -13.404 -20.738 1.00 21.04 O ATOM 561 CB ARG A 38 -6.632 -13.530 -23.443 1.00 41.41 C ATOM 562 CG ARG A 38 -6.725 -13.597 -24.968 1.00 14.00 C ATOM 563 CD ARG A 38 -6.965 -12.224 -25.581 1.00 71.31 C ATOM 564 NE ARG A 38 -7.088 -12.282 -27.039 1.00 2.14 N ATOM 565 CZ ARG A 38 -7.765 -11.389 -27.767 1.00 52.02 C ATOM 566 NH1 ARG A 38 -8.411 -10.396 -27.167 1.00 34.34 N ATOM 567 NH2 ARG A 38 -7.808 -11.499 -29.089 1.00 41.24 N ATOM 0 HA ARG A 38 -5.685 -11.611 -23.309 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -6.478 -14.536 -23.053 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -7.584 -13.177 -23.046 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -5.804 -14.019 -25.370 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -7.534 -14.269 -25.254 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -7.873 -11.793 -25.159 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -6.143 -11.560 -25.314 1.00 71.31 H new ATOM 0 HE ARG A 38 -6.629 -13.050 -27.528 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -8.390 -10.315 -26.150 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -8.928 -9.714 -27.723 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -7.323 -12.267 -29.553 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -8.326 -10.815 -29.641 1.00 41.24 H new ATOM 581 N ARG A 39 -4.781 -11.592 -20.850 1.00 13.43 N ATOM 582 CA ARG A 39 -4.672 -11.454 -19.404 1.00 31.22 C ATOM 583 C ARG A 39 -5.979 -10.929 -18.819 1.00 12.54 C ATOM 584 O ARG A 39 -6.150 -9.729 -18.604 1.00 64.51 O ATOM 585 CB ARG A 39 -3.508 -10.549 -19.006 1.00 71.22 C ATOM 586 CG ARG A 39 -3.463 -10.262 -17.508 1.00 25.23 C ATOM 587 CD ARG A 39 -2.245 -9.451 -17.127 1.00 12.21 C ATOM 588 NE ARG A 39 -2.398 -8.837 -15.806 1.00 64.14 N ATOM 589 CZ ARG A 39 -1.416 -8.249 -15.126 1.00 40.21 C ATOM 590 NH1 ARG A 39 -0.169 -8.280 -15.583 1.00 72.51 N ATOM 591 NH2 ARG A 39 -1.680 -7.646 -13.975 1.00 72.23 N ATOM 0 H ARG A 39 -4.266 -10.891 -21.382 1.00 13.43 H new ATOM 0 HA ARG A 39 -4.473 -12.444 -18.994 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -2.571 -11.016 -19.309 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -3.585 -9.607 -19.549 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -4.364 -9.724 -17.214 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -3.460 -11.203 -16.958 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -1.364 -10.093 -17.131 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -2.077 -8.674 -17.873 1.00 12.21 H new ATOM 0 HE ARG A 39 -3.323 -8.862 -15.376 1.00 64.14 H new ATOM 0 HH11 ARG A 39 0.041 -8.756 -16.460 1.00 72.51 H new ATOM 0 HH12 ARG A 39 0.578 -7.827 -15.057 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -2.633 -7.633 -13.613 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -0.930 -7.195 -13.452 1.00 72.23 H new ATOM 605 N THR A 40 -6.880 -11.865 -18.600 1.00 21.32 N ATOM 606 CA THR A 40 -8.213 -11.629 -18.048 1.00 31.44 C ATOM 607 C THR A 40 -8.895 -12.977 -17.844 1.00 32.23 C ATOM 608 O THR A 40 -9.171 -13.682 -18.819 1.00 70.14 O ATOM 609 CB THR A 40 -9.113 -10.769 -18.983 1.00 25.32 C ATOM 610 OG1 THR A 40 -8.821 -11.066 -20.356 1.00 2.42 O ATOM 611 CG2 THR A 40 -8.949 -9.276 -18.729 1.00 5.33 C ATOM 0 H THR A 40 -6.705 -12.848 -18.806 1.00 21.32 H new ATOM 0 HA THR A 40 -8.087 -11.083 -17.113 1.00 31.44 H new ATOM 0 HB THR A 40 -10.149 -11.026 -18.762 1.00 25.32 H new ATOM 0 HG1 THR A 40 -8.784 -12.037 -20.480 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.597 -8.719 -19.405 1.00 5.33 H new ATOM 0 HG22 THR A 40 -9.221 -9.050 -17.698 1.00 5.33 H new ATOM 0 HG23 THR A 40 -7.912 -8.989 -18.902 1.00 5.33 H new ATOM 619 N LEU A 41 -9.152 -13.355 -16.599 1.00 51.33 N ATOM 620 CA LEU A 41 -9.829 -14.619 -16.339 1.00 34.14 C ATOM 621 C LEU A 41 -11.325 -14.465 -16.554 1.00 43.22 C ATOM 622 O LEU A 41 -12.087 -14.278 -15.607 1.00 22.33 O ATOM 623 CB LEU A 41 -9.548 -15.160 -14.924 1.00 61.14 C ATOM 624 CG LEU A 41 -8.736 -16.467 -14.876 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.328 -16.251 -15.419 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.693 -17.028 -13.457 1.00 50.44 C ATOM 0 H LEU A 41 -8.908 -12.817 -15.768 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.431 -15.348 -17.045 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.013 -14.397 -14.359 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.500 -15.322 -14.418 1.00 61.14 H new ATOM 0 HG LEU A 41 -9.234 -17.198 -15.512 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.773 -17.188 -15.375 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.385 -15.911 -16.453 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.818 -15.499 -14.818 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -8.114 -17.951 -13.448 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -8.227 -16.301 -12.792 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -9.708 -17.233 -13.116 1.00 50.44 H new ATOM 638 N THR A 42 -11.732 -14.489 -17.816 1.00 31.45 N ATOM 639 CA THR A 42 -13.140 -14.582 -18.143 1.00 23.21 C ATOM 640 C THR A 42 -13.619 -15.978 -17.765 1.00 63.23 C ATOM 641 O THR A 42 -12.794 -16.868 -17.517 1.00 44.05 O ATOM 642 CB THR A 42 -13.406 -14.306 -19.645 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.812 -14.370 -19.918 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.669 -15.301 -20.536 1.00 34.51 C ATOM 0 H THR A 42 -11.109 -14.445 -18.622 1.00 31.45 H new ATOM 0 HA THR A 42 -13.688 -13.822 -17.585 1.00 23.21 H new ATOM 0 HB THR A 42 -13.033 -13.306 -19.867 1.00 20.41 H new ATOM 0 HG1 THR A 42 -14.969 -14.193 -20.869 1.00 73.40 H new ATOM 0 HG21 THR A 42 -12.879 -15.077 -21.582 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.597 -15.225 -20.357 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.005 -16.312 -20.307 1.00 34.51 H new ATOM 652 N GLU A 43 -14.925 -16.179 -17.732 1.00 15.15 N ATOM 653 CA GLU A 43 -15.498 -17.443 -17.283 1.00 71.31 C ATOM 654 C GLU A 43 -14.850 -18.631 -17.989 1.00 12.12 C ATOM 655 O GLU A 43 -14.597 -19.655 -17.368 1.00 32.21 O ATOM 656 CB GLU A 43 -17.018 -17.437 -17.481 1.00 43.41 C ATOM 657 CG GLU A 43 -17.771 -16.683 -16.386 1.00 4.44 C ATOM 658 CD GLU A 43 -17.079 -15.385 -15.976 1.00 44.01 C ATOM 659 OE1 GLU A 43 -17.055 -14.434 -16.789 1.00 43.34 O ATOM 660 OE2 GLU A 43 -16.538 -15.319 -14.848 1.00 20.13 O ATOM 0 H GLU A 43 -15.614 -15.481 -18.012 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.292 -17.552 -16.218 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.249 -16.987 -18.446 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.376 -18.466 -17.515 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -18.779 -16.457 -16.734 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -17.872 -17.327 -15.512 1.00 4.44 H new ATOM 667 N GLU A 44 -14.517 -18.459 -19.268 1.00 24.15 N ATOM 668 CA GLU A 44 -13.898 -19.523 -20.052 1.00 42.15 C ATOM 669 C GLU A 44 -12.595 -19.969 -19.387 1.00 51.42 C ATOM 670 O GLU A 44 -12.344 -21.166 -19.183 1.00 31.32 O ATOM 671 CB GLU A 44 -13.612 -19.027 -21.475 1.00 42.11 C ATOM 672 CG GLU A 44 -14.840 -18.484 -22.211 1.00 54.42 C ATOM 673 CD GLU A 44 -14.516 -17.966 -23.610 1.00 75.51 C ATOM 674 OE1 GLU A 44 -13.375 -18.171 -24.085 1.00 0.14 O ATOM 675 OE2 GLU A 44 -15.402 -17.357 -24.247 1.00 13.55 O ATOM 0 H GLU A 44 -14.667 -17.591 -19.782 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.582 -20.370 -20.101 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -12.855 -18.244 -21.429 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.188 -19.847 -22.055 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -15.590 -19.272 -22.286 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.282 -17.678 -21.624 1.00 54.42 H new ATOM 682 N GLN A 45 -11.793 -18.981 -19.002 1.00 31.04 N ATOM 683 CA GLN A 45 -10.482 -19.222 -18.420 1.00 14.15 C ATOM 684 C GLN A 45 -10.644 -19.838 -17.037 1.00 53.01 C ATOM 685 O GLN A 45 -9.889 -20.722 -16.646 1.00 14.13 O ATOM 686 CB GLN A 45 -9.705 -17.903 -18.337 1.00 51.21 C ATOM 687 CG GLN A 45 -9.734 -17.098 -19.633 1.00 30.54 C ATOM 688 CD GLN A 45 -9.078 -17.818 -20.800 1.00 41.25 C ATOM 689 OE1 GLN A 45 -9.736 -18.546 -21.546 1.00 64.40 O ATOM 690 NE2 GLN A 45 -7.778 -17.620 -20.970 1.00 1.34 N ATOM 0 H GLN A 45 -12.035 -17.994 -19.085 1.00 31.04 H new ATOM 0 HA GLN A 45 -9.923 -19.916 -19.048 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.120 -17.296 -17.532 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.669 -18.117 -18.074 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -10.769 -16.872 -19.890 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.230 -16.145 -19.473 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -7.267 -17.010 -20.332 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.289 -18.078 -21.739 1.00 1.34 H new ATOM 699 N VAL A 46 -11.660 -19.371 -16.317 1.00 64.44 N ATOM 700 CA VAL A 46 -11.990 -19.901 -15.000 1.00 2.55 C ATOM 701 C VAL A 46 -12.308 -21.399 -15.084 1.00 12.42 C ATOM 702 O VAL A 46 -11.832 -22.202 -14.269 1.00 73.15 O ATOM 703 CB VAL A 46 -13.196 -19.143 -14.392 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.589 -19.728 -13.041 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.886 -17.651 -14.266 1.00 15.10 C ATOM 0 H VAL A 46 -12.274 -18.619 -16.629 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.123 -19.760 -14.354 1.00 2.55 H new ATOM 0 HB VAL A 46 -14.043 -19.263 -15.067 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.438 -19.176 -12.639 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.863 -20.776 -13.164 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.747 -19.651 -12.353 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.745 -17.136 -13.837 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -12.020 -17.513 -13.619 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.671 -17.239 -15.252 1.00 15.10 H new ATOM 715 N GLN A 47 -13.097 -21.772 -16.090 1.00 74.22 N ATOM 716 CA GLN A 47 -13.453 -23.174 -16.307 1.00 73.34 C ATOM 717 C GLN A 47 -12.222 -23.951 -16.722 1.00 25.01 C ATOM 718 O GLN A 47 -12.070 -25.122 -16.382 1.00 54.32 O ATOM 719 CB GLN A 47 -14.544 -23.309 -17.371 1.00 71.34 C ATOM 720 CG GLN A 47 -15.673 -22.322 -17.176 1.00 23.23 C ATOM 721 CD GLN A 47 -16.889 -22.610 -18.029 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.789 -23.212 -19.100 1.00 4.54 O ATOM 723 NE2 GLN A 47 -18.040 -22.140 -17.576 1.00 3.44 N ATOM 0 H GLN A 47 -13.501 -21.125 -16.767 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.843 -23.580 -15.374 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.104 -23.162 -18.357 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -14.945 -24.322 -17.349 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.968 -22.324 -16.127 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -15.310 -21.320 -17.403 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.074 -21.648 -16.683 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.893 -22.270 -18.120 1.00 3.44 H new ATOM 732 N GLU A 48 -11.341 -23.292 -17.461 1.00 35.04 N ATOM 733 CA GLU A 48 -10.060 -23.885 -17.802 1.00 64.51 C ATOM 734 C GLU A 48 -9.242 -24.129 -16.529 1.00 55.04 C ATOM 735 O GLU A 48 -8.594 -25.165 -16.390 1.00 73.40 O ATOM 736 CB GLU A 48 -9.280 -23.007 -18.796 1.00 43.20 C ATOM 737 CG GLU A 48 -7.784 -22.995 -18.523 1.00 42.23 C ATOM 738 CD GLU A 48 -6.930 -22.541 -19.689 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.194 -22.984 -20.826 1.00 51.14 O ATOM 740 OE2 GLU A 48 -5.953 -21.799 -19.458 1.00 52.21 O ATOM 0 H GLU A 48 -11.490 -22.354 -17.833 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.245 -24.841 -18.291 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.457 -23.368 -19.809 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -9.661 -21.987 -18.750 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.589 -22.342 -17.672 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.474 -23.999 -18.232 1.00 42.23 H new ATOM 747 N VAL A 49 -9.278 -23.176 -15.598 1.00 34.21 N ATOM 748 CA VAL A 49 -8.542 -23.308 -14.344 1.00 32.22 C ATOM 749 C VAL A 49 -9.031 -24.523 -13.571 1.00 34.13 C ATOM 750 O VAL A 49 -8.231 -25.362 -13.174 1.00 25.13 O ATOM 751 CB VAL A 49 -8.650 -22.042 -13.453 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.939 -22.254 -12.118 1.00 62.33 C ATOM 753 CG2 VAL A 49 -8.077 -20.823 -14.171 1.00 71.11 C ATOM 0 H VAL A 49 -9.807 -22.309 -15.689 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.492 -23.434 -14.606 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.707 -21.861 -13.255 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -8.028 -21.353 -11.511 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.395 -23.093 -11.592 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.885 -22.468 -12.297 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -8.164 -19.948 -13.527 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -7.027 -20.999 -14.405 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.631 -20.651 -15.094 1.00 71.11 H new ATOM 763 N VAL A 50 -10.347 -24.630 -13.383 1.00 60.22 N ATOM 764 CA VAL A 50 -10.916 -25.784 -12.680 1.00 11.40 C ATOM 765 C VAL A 50 -10.724 -27.073 -13.479 1.00 72.34 C ATOM 766 O VAL A 50 -10.624 -28.159 -12.904 1.00 53.42 O ATOM 767 CB VAL A 50 -12.418 -25.598 -12.338 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.593 -24.565 -11.234 1.00 15.52 C ATOM 769 CG2 VAL A 50 -13.218 -25.201 -13.565 1.00 15.52 C ATOM 0 H VAL A 50 -11.031 -23.944 -13.702 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.370 -25.861 -11.740 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.799 -26.556 -11.984 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.653 -24.449 -11.009 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -12.066 -24.896 -10.339 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -12.185 -23.609 -11.562 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -14.266 -25.078 -13.292 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.834 -24.261 -13.961 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -13.129 -25.978 -14.324 1.00 15.52 H new ATOM 779 N ALA A 51 -10.662 -26.949 -14.800 1.00 31.45 N ATOM 780 CA ALA A 51 -10.402 -28.096 -15.666 1.00 42.34 C ATOM 781 C ALA A 51 -8.994 -28.633 -15.423 1.00 31.41 C ATOM 782 O ALA A 51 -8.798 -29.833 -15.222 1.00 25.24 O ATOM 783 CB ALA A 51 -10.584 -27.712 -17.131 1.00 44.10 C ATOM 0 H ALA A 51 -10.788 -26.067 -15.296 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.119 -28.882 -15.427 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.386 -28.579 -17.762 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.606 -27.371 -17.293 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -9.890 -26.912 -17.386 1.00 44.10 H new ATOM 789 N LYS A 52 -8.022 -27.728 -15.420 1.00 53.45 N ATOM 790 CA LYS A 52 -6.629 -28.095 -15.195 1.00 42.14 C ATOM 791 C LYS A 52 -6.409 -28.458 -13.724 1.00 3.33 C ATOM 792 O LYS A 52 -5.581 -29.313 -13.401 1.00 33.40 O ATOM 793 CB LYS A 52 -5.698 -26.952 -15.637 1.00 40.33 C ATOM 794 CG LYS A 52 -5.824 -26.606 -17.122 1.00 30.34 C ATOM 795 CD LYS A 52 -4.837 -25.523 -17.571 1.00 44.14 C ATOM 796 CE LYS A 52 -5.049 -24.200 -16.835 1.00 31.32 C ATOM 797 NZ LYS A 52 -4.308 -23.079 -17.479 1.00 11.24 N ATOM 0 H LYS A 52 -8.174 -26.731 -15.572 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.390 -28.972 -15.796 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -5.918 -26.064 -15.045 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -4.666 -27.230 -15.423 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -5.661 -27.506 -17.714 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -6.841 -26.270 -17.326 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -3.818 -25.871 -17.401 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -4.944 -25.360 -18.643 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -6.113 -23.965 -16.811 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -4.722 -24.304 -15.800 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -4.058 -22.370 -16.760 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -3.440 -23.445 -17.921 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -4.908 -22.639 -18.206 1.00 11.24 H new ATOM 811 N LEU A 53 -7.174 -27.821 -12.839 1.00 5.45 N ATOM 812 CA LEU A 53 -7.162 -28.158 -11.415 1.00 72.44 C ATOM 813 C LEU A 53 -7.490 -29.641 -11.221 1.00 43.14 C ATOM 814 O LEU A 53 -6.922 -30.310 -10.356 1.00 30.51 O ATOM 815 CB LEU A 53 -8.174 -27.293 -10.625 1.00 61.32 C ATOM 816 CG LEU A 53 -7.682 -25.912 -10.128 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.724 -25.271 -9.218 1.00 3.31 C ATOM 818 CD2 LEU A 53 -6.345 -26.047 -9.408 1.00 15.34 C ATOM 0 H LEU A 53 -7.813 -27.065 -13.084 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.162 -27.953 -11.032 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -9.048 -27.134 -11.256 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.506 -27.866 -9.759 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.538 -25.264 -10.993 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -8.362 -24.301 -8.877 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.655 -25.138 -9.768 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -8.900 -25.915 -8.357 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -6.015 -25.066 -9.066 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -6.459 -26.711 -8.551 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.604 -26.461 -10.092 1.00 15.34 H new ATOM 830 N THR A 54 -8.399 -30.158 -12.049 1.00 2.31 N ATOM 831 CA THR A 54 -8.831 -31.548 -11.949 1.00 74.25 C ATOM 832 C THR A 54 -7.942 -32.488 -12.774 1.00 12.24 C ATOM 833 O THR A 54 -8.247 -33.678 -12.903 1.00 11.50 O ATOM 834 CB THR A 54 -10.311 -31.711 -12.376 1.00 54.25 C ATOM 835 OG1 THR A 54 -10.532 -31.118 -13.665 1.00 2.43 O ATOM 836 CG2 THR A 54 -11.248 -31.072 -11.354 1.00 33.32 C ATOM 0 H THR A 54 -8.850 -29.631 -12.797 1.00 2.31 H new ATOM 0 HA THR A 54 -8.736 -31.827 -10.900 1.00 74.25 H new ATOM 0 HB THR A 54 -10.525 -32.778 -12.430 1.00 54.25 H new ATOM 0 HG1 THR A 54 -9.670 -30.902 -14.078 1.00 2.43 H new ATOM 0 HG21 THR A 54 -12.281 -31.200 -11.677 1.00 33.32 H new ATOM 0 HG22 THR A 54 -11.109 -31.550 -10.384 1.00 33.32 H new ATOM 0 HG23 THR A 54 -11.024 -30.009 -11.270 1.00 33.32 H new ATOM 844 N ASP A 55 -6.845 -31.963 -13.329 1.00 13.25 N ATOM 845 CA ASP A 55 -5.860 -32.809 -14.008 1.00 1.54 C ATOM 846 C ASP A 55 -4.973 -33.484 -12.962 1.00 20.51 C ATOM 847 O ASP A 55 -4.173 -32.818 -12.304 1.00 75.23 O ATOM 848 CB ASP A 55 -5.004 -31.999 -14.999 1.00 3.22 C ATOM 849 CG ASP A 55 -5.606 -31.945 -16.399 1.00 40.30 C ATOM 850 OD1 ASP A 55 -5.681 -33.010 -17.051 1.00 74.12 O ATOM 851 OD2 ASP A 55 -5.983 -30.847 -16.864 1.00 52.23 O ATOM 0 H ASP A 55 -6.619 -30.968 -13.322 1.00 13.25 H new ATOM 0 HA ASP A 55 -6.391 -33.566 -14.585 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -4.884 -30.984 -14.622 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -4.008 -32.438 -15.054 1.00 3.22 H new ATOM 856 N PRO A 56 -5.100 -34.819 -12.802 1.00 62.43 N ATOM 857 CA PRO A 56 -4.507 -35.558 -11.675 1.00 43.13 C ATOM 858 C PRO A 56 -2.991 -35.386 -11.570 1.00 2.34 C ATOM 859 O PRO A 56 -2.472 -34.993 -10.523 1.00 53.10 O ATOM 860 CB PRO A 56 -4.876 -37.027 -11.963 1.00 74.10 C ATOM 861 CG PRO A 56 -5.224 -37.064 -13.413 1.00 74.41 C ATOM 862 CD PRO A 56 -5.814 -35.717 -13.727 1.00 55.11 C ATOM 0 HA PRO A 56 -4.884 -35.192 -10.720 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -4.043 -37.694 -11.741 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -5.716 -37.350 -11.348 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -4.341 -37.256 -14.022 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -5.936 -37.862 -13.624 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -5.650 -35.437 -14.768 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -6.891 -35.698 -13.557 1.00 55.11 H new ATOM 870 N GLU A 57 -2.286 -35.674 -12.654 1.00 53.21 N ATOM 871 CA GLU A 57 -0.831 -35.625 -12.651 1.00 31.20 C ATOM 872 C GLU A 57 -0.344 -34.210 -12.935 1.00 11.32 C ATOM 873 O GLU A 57 0.609 -33.737 -12.317 1.00 40.10 O ATOM 874 CB GLU A 57 -0.266 -36.594 -13.697 1.00 11.23 C ATOM 875 CG GLU A 57 1.255 -36.575 -13.795 1.00 74.52 C ATOM 876 CD GLU A 57 1.786 -37.512 -14.867 1.00 43.42 C ATOM 877 OE1 GLU A 57 1.661 -37.182 -16.065 1.00 15.41 O ATOM 878 OE2 GLU A 57 2.332 -38.579 -14.518 1.00 10.41 O ATOM 0 H GLU A 57 -2.698 -35.944 -13.547 1.00 53.21 H new ATOM 0 HA GLU A 57 -0.478 -35.924 -11.664 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -0.593 -37.605 -13.455 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -0.687 -36.347 -14.672 1.00 11.23 H new ATOM 0 HG2 GLU A 57 1.588 -35.559 -14.008 1.00 74.52 H new ATOM 0 HG3 GLU A 57 1.680 -36.854 -12.831 1.00 74.52 H new ATOM 885 N SER A 58 -1.021 -33.534 -13.858 1.00 43.04 N ATOM 886 CA SER A 58 -0.592 -32.217 -14.316 1.00 14.11 C ATOM 887 C SER A 58 -0.470 -31.235 -13.145 1.00 64.34 C ATOM 888 O SER A 58 0.510 -30.500 -13.047 1.00 15.34 O ATOM 889 CB SER A 58 -1.571 -31.678 -15.366 1.00 53.34 C ATOM 890 OG SER A 58 -0.998 -30.619 -16.117 1.00 0.11 O ATOM 0 H SER A 58 -1.871 -33.878 -14.305 1.00 43.04 H new ATOM 0 HA SER A 58 0.394 -32.320 -14.770 1.00 14.11 H new ATOM 0 HB2 SER A 58 -1.865 -32.484 -16.038 1.00 53.34 H new ATOM 0 HB3 SER A 58 -2.478 -31.327 -14.873 1.00 53.34 H new ATOM 0 HG SER A 58 -1.646 -30.299 -16.778 1.00 0.11 H new ATOM 896 N SER A 59 -1.458 -31.244 -12.253 1.00 11.31 N ATOM 897 CA SER A 59 -1.477 -30.332 -11.114 1.00 64.13 C ATOM 898 C SER A 59 -0.432 -30.725 -10.074 1.00 74.10 C ATOM 899 O SER A 59 0.476 -29.949 -9.755 1.00 53.43 O ATOM 900 CB SER A 59 -2.877 -30.325 -10.487 1.00 5.10 C ATOM 901 OG SER A 59 -3.273 -31.638 -10.120 1.00 31.55 O ATOM 0 H SER A 59 -2.258 -31.875 -12.298 1.00 11.31 H new ATOM 0 HA SER A 59 -1.232 -29.330 -11.467 1.00 64.13 H new ATOM 0 HB2 SER A 59 -2.883 -29.680 -9.609 1.00 5.10 H new ATOM 0 HB3 SER A 59 -3.595 -29.908 -11.194 1.00 5.10 H new ATOM 0 HG SER A 59 -3.940 -31.969 -10.758 1.00 31.55 H new ATOM 907 N ALA A 60 -0.554 -31.950 -9.571 1.00 52.35 N ATOM 908 CA ALA A 60 0.301 -32.441 -8.496 1.00 44.05 C ATOM 909 C ALA A 60 1.784 -32.348 -8.857 1.00 65.01 C ATOM 910 O ALA A 60 2.617 -32.079 -7.999 1.00 55.43 O ATOM 911 CB ALA A 60 -0.069 -33.879 -8.148 1.00 33.33 C ATOM 0 H ALA A 60 -1.245 -32.627 -9.895 1.00 52.35 H new ATOM 0 HA ALA A 60 0.136 -31.804 -7.627 1.00 44.05 H new ATOM 0 HB1 ALA A 60 0.575 -34.236 -7.344 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -1.109 -33.919 -7.824 1.00 33.33 H new ATOM 0 HB3 ALA A 60 0.062 -34.511 -9.026 1.00 33.33 H new ATOM 917 N GLN A 61 2.103 -32.541 -10.131 1.00 51.35 N ATOM 918 CA GLN A 61 3.496 -32.600 -10.568 1.00 31.01 C ATOM 919 C GLN A 61 4.163 -31.221 -10.492 1.00 42.21 C ATOM 920 O GLN A 61 5.385 -31.124 -10.360 1.00 61.11 O ATOM 921 CB GLN A 61 3.586 -33.163 -11.995 1.00 62.35 C ATOM 922 CG GLN A 61 5.011 -33.452 -12.459 1.00 12.53 C ATOM 923 CD GLN A 61 5.691 -34.536 -11.636 1.00 33.44 C ATOM 924 OE1 GLN A 61 6.322 -34.258 -10.614 1.00 35.13 O ATOM 925 NE2 GLN A 61 5.575 -35.782 -12.076 1.00 62.21 N ATOM 0 H GLN A 61 1.420 -32.659 -10.879 1.00 51.35 H new ATOM 0 HA GLN A 61 4.031 -33.267 -9.893 1.00 31.01 H new ATOM 0 HB2 GLN A 61 3.004 -34.083 -12.049 1.00 62.35 H new ATOM 0 HB3 GLN A 61 3.127 -32.454 -12.684 1.00 62.35 H new ATOM 0 HG2 GLN A 61 4.993 -33.755 -13.506 1.00 12.53 H new ATOM 0 HG3 GLN A 61 5.599 -32.536 -12.402 1.00 12.53 H new ATOM 0 HE21 GLN A 61 5.045 -35.976 -12.926 1.00 62.21 H new ATOM 0 HE22 GLN A 61 6.016 -36.547 -11.565 1.00 62.21 H new ATOM 934 N ILE A 62 3.360 -30.157 -10.547 1.00 4.23 N ATOM 935 CA ILE A 62 3.894 -28.796 -10.572 1.00 32.12 C ATOM 936 C ILE A 62 4.587 -28.445 -9.251 1.00 0.54 C ATOM 937 O ILE A 62 5.733 -27.988 -9.238 1.00 12.44 O ATOM 938 CB ILE A 62 2.784 -27.748 -10.857 1.00 60.44 C ATOM 939 CG1 ILE A 62 2.086 -28.043 -12.197 1.00 42.11 C ATOM 940 CG2 ILE A 62 3.362 -26.333 -10.848 1.00 4.10 C ATOM 941 CD1 ILE A 62 0.999 -27.046 -12.557 1.00 43.34 C ATOM 0 H ILE A 62 2.342 -30.212 -10.575 1.00 4.23 H new ATOM 0 HA ILE A 62 4.624 -28.765 -11.381 1.00 32.12 H new ATOM 0 HB ILE A 62 2.039 -27.817 -10.064 1.00 60.44 H new ATOM 0 HG12 ILE A 62 2.833 -28.053 -12.990 1.00 42.11 H new ATOM 0 HG13 ILE A 62 1.651 -29.041 -12.157 1.00 42.11 H new ATOM 0 HG21 ILE A 62 2.568 -25.614 -11.050 1.00 4.10 H new ATOM 0 HG22 ILE A 62 3.800 -26.125 -9.872 1.00 4.10 H new ATOM 0 HG23 ILE A 62 4.131 -26.249 -11.616 1.00 4.10 H new ATOM 0 HD11 ILE A 62 0.555 -27.321 -13.514 1.00 43.34 H new ATOM 0 HD12 ILE A 62 0.230 -27.052 -11.785 1.00 43.34 H new ATOM 0 HD13 ILE A 62 1.431 -26.048 -12.631 1.00 43.34 H new ATOM 953 N ASP A 63 3.896 -28.680 -8.141 1.00 4.21 N ATOM 954 CA ASP A 63 4.417 -28.331 -6.812 1.00 24.12 C ATOM 955 C ASP A 63 4.711 -29.576 -5.986 1.00 32.11 C ATOM 956 O ASP A 63 5.240 -29.482 -4.876 1.00 51.03 O ATOM 957 CB ASP A 63 3.417 -27.439 -6.055 1.00 63.41 C ATOM 958 CG ASP A 63 3.454 -25.985 -6.506 1.00 3.22 C ATOM 959 OD1 ASP A 63 2.714 -25.613 -7.439 1.00 1.22 O ATOM 960 OD2 ASP A 63 4.211 -25.191 -5.909 1.00 51.45 O ATOM 0 H ASP A 63 2.972 -29.111 -8.129 1.00 4.21 H new ATOM 0 HA ASP A 63 5.348 -27.785 -6.961 1.00 24.12 H new ATOM 0 HB2 ASP A 63 2.410 -27.832 -6.196 1.00 63.41 H new ATOM 0 HB3 ASP A 63 3.631 -27.488 -4.987 1.00 63.41 H new ATOM 965 N GLY A 64 4.361 -30.739 -6.520 1.00 4.34 N ATOM 966 CA GLY A 64 4.550 -31.985 -5.797 1.00 4.15 C ATOM 967 C GLY A 64 3.445 -32.232 -4.787 1.00 21.32 C ATOM 968 O GLY A 64 3.395 -33.290 -4.157 1.00 74.55 O ATOM 0 H GLY A 64 3.947 -30.843 -7.446 1.00 4.34 H new ATOM 0 HA2 GLY A 64 4.585 -32.813 -6.505 1.00 4.15 H new ATOM 0 HA3 GLY A 64 5.511 -31.964 -5.284 1.00 4.15 H new ATOM 972 N VAL A 65 2.541 -31.261 -4.656 1.00 53.23 N ATOM 973 CA VAL A 65 1.459 -31.319 -3.679 1.00 5.12 C ATOM 974 C VAL A 65 0.171 -30.756 -4.272 1.00 22.24 C ATOM 975 O VAL A 65 0.210 -29.947 -5.202 1.00 34.45 O ATOM 976 CB VAL A 65 1.803 -30.521 -2.389 1.00 20.52 C ATOM 977 CG1 VAL A 65 2.999 -31.128 -1.661 1.00 63.22 C ATOM 978 CG2 VAL A 65 2.056 -29.047 -2.712 1.00 11.54 C ATOM 0 H VAL A 65 2.540 -30.414 -5.224 1.00 53.23 H new ATOM 0 HA VAL A 65 1.324 -32.369 -3.418 1.00 5.12 H new ATOM 0 HB VAL A 65 0.942 -30.583 -1.723 1.00 20.52 H new ATOM 0 HG11 VAL A 65 3.213 -30.546 -0.764 1.00 63.22 H new ATOM 0 HG12 VAL A 65 2.771 -32.156 -1.381 1.00 63.22 H new ATOM 0 HG13 VAL A 65 3.869 -31.116 -2.317 1.00 63.22 H new ATOM 0 HG21 VAL A 65 2.295 -28.509 -1.794 1.00 11.54 H new ATOM 0 HG22 VAL A 65 2.891 -28.965 -3.408 1.00 11.54 H new ATOM 0 HG23 VAL A 65 1.163 -28.615 -3.164 1.00 11.54 H new ATOM 988 N VAL A 66 -0.964 -31.203 -3.741 1.00 30.32 N ATOM 989 CA VAL A 66 -2.266 -30.659 -4.113 1.00 1.42 C ATOM 990 C VAL A 66 -2.914 -29.996 -2.891 1.00 32.13 C ATOM 991 O VAL A 66 -3.374 -30.670 -1.965 1.00 51.15 O ATOM 992 CB VAL A 66 -3.194 -31.754 -4.716 1.00 14.41 C ATOM 993 CG1 VAL A 66 -3.342 -32.948 -3.771 1.00 5.23 C ATOM 994 CG2 VAL A 66 -4.559 -31.171 -5.078 1.00 34.45 C ATOM 0 H VAL A 66 -1.007 -31.948 -3.045 1.00 30.32 H new ATOM 0 HA VAL A 66 -2.119 -29.907 -4.888 1.00 1.42 H new ATOM 0 HB VAL A 66 -2.725 -32.117 -5.631 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -3.996 -33.692 -4.225 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -2.363 -33.390 -3.587 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -3.772 -32.614 -2.827 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -5.190 -31.955 -5.497 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -5.031 -30.766 -4.183 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -4.432 -30.376 -5.813 1.00 34.45 H new ATOM 1004 N SER A 67 -2.899 -28.669 -2.881 1.00 53.53 N ATOM 1005 CA SER A 67 -3.390 -27.886 -1.752 1.00 63.30 C ATOM 1006 C SER A 67 -4.044 -26.596 -2.248 1.00 25.11 C ATOM 1007 O SER A 67 -3.897 -26.246 -3.406 1.00 45.11 O ATOM 1008 CB SER A 67 -2.230 -27.593 -0.788 1.00 44.10 C ATOM 1009 OG SER A 67 -1.049 -27.229 -1.491 1.00 1.41 O ATOM 0 H SER A 67 -2.547 -28.105 -3.654 1.00 53.53 H new ATOM 0 HA SER A 67 -4.148 -28.455 -1.214 1.00 63.30 H new ATOM 0 HB2 SER A 67 -2.514 -26.789 -0.109 1.00 44.10 H new ATOM 0 HB3 SER A 67 -2.034 -28.473 -0.175 1.00 44.10 H new ATOM 0 HG SER A 67 -1.022 -26.256 -1.603 1.00 1.41 H new ATOM 1015 N LYS A 68 -4.713 -25.875 -1.344 1.00 41.35 N ATOM 1016 CA LYS A 68 -5.557 -24.713 -1.688 1.00 53.40 C ATOM 1017 C LYS A 68 -4.881 -23.731 -2.662 1.00 61.41 C ATOM 1018 O LYS A 68 -5.549 -23.104 -3.487 1.00 72.23 O ATOM 1019 CB LYS A 68 -5.965 -23.964 -0.402 1.00 10.32 C ATOM 1020 CG LYS A 68 -4.842 -23.134 0.236 1.00 71.13 C ATOM 1021 CD LYS A 68 -3.624 -23.983 0.598 1.00 22.42 C ATOM 1022 CE LYS A 68 -2.438 -23.130 1.022 1.00 22.41 C ATOM 1023 NZ LYS A 68 -1.199 -23.943 1.152 1.00 5.02 N ATOM 0 H LYS A 68 -4.688 -26.077 -0.345 1.00 41.35 H new ATOM 0 HA LYS A 68 -6.435 -25.109 -2.198 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -6.802 -23.304 -0.631 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -6.322 -24.690 0.328 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -4.540 -22.346 -0.453 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -5.220 -22.645 1.134 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -3.886 -24.666 1.406 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -3.342 -24.595 -0.258 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -2.279 -22.337 0.291 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -2.658 -22.646 1.974 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -0.450 -23.367 1.586 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -1.389 -24.772 1.750 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -0.891 -24.259 0.210 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.561 -23.609 -2.570 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.804 -22.657 -3.388 1.00 73.13 C ATOM 1039 C ASP A 69 -2.838 -23.042 -4.867 1.00 2.11 C ATOM 1040 O ASP A 69 -2.542 -22.219 -5.737 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.359 -22.530 -2.885 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.644 -23.866 -2.770 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -0.771 -24.518 -1.707 1.00 3.03 O ATOM 1044 OD2 ASP A 69 0.051 -24.267 -3.730 1.00 53.11 O ATOM 0 H ASP A 69 -2.986 -24.160 -1.933 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.283 -21.683 -3.291 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.801 -21.884 -3.563 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -1.362 -22.042 -1.910 1.00 3.14 H new ATOM 1049 N GLU A 70 -3.215 -24.288 -5.138 1.00 14.54 N ATOM 1050 CA GLU A 70 -3.265 -24.827 -6.498 1.00 21.21 C ATOM 1051 C GLU A 70 -4.098 -23.923 -7.405 1.00 20.22 C ATOM 1052 O GLU A 70 -3.720 -23.658 -8.555 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.874 -26.241 -6.473 1.00 43.43 C ATOM 1054 CG GLU A 70 -5.316 -26.272 -5.956 1.00 54.45 C ATOM 1055 CD GLU A 70 -5.855 -27.679 -5.747 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -6.378 -28.272 -6.713 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -5.782 -28.187 -4.605 1.00 33.23 O ATOM 0 H GLU A 70 -3.496 -24.956 -4.420 1.00 14.54 H new ATOM 0 HA GLU A 70 -2.250 -24.874 -6.892 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -3.848 -26.658 -7.480 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -3.257 -26.884 -5.845 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -5.367 -25.728 -5.013 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.958 -25.746 -6.663 1.00 54.45 H new ATOM 1064 N ILE A 71 -5.218 -23.428 -6.873 1.00 21.23 N ATOM 1065 CA ILE A 71 -6.107 -22.568 -7.638 1.00 21.42 C ATOM 1066 C ILE A 71 -5.325 -21.354 -8.144 1.00 5.33 C ATOM 1067 O ILE A 71 -5.342 -21.036 -9.334 1.00 63.22 O ATOM 1068 CB ILE A 71 -7.326 -22.081 -6.805 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -8.093 -23.262 -6.156 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -8.263 -21.275 -7.705 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -9.140 -22.821 -5.155 1.00 41.44 C ATOM 0 H ILE A 71 -5.525 -23.611 -5.918 1.00 21.23 H new ATOM 0 HA ILE A 71 -6.493 -23.155 -8.471 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.955 -21.453 -5.995 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -8.574 -23.848 -6.939 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -7.380 -23.919 -5.659 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -9.119 -20.932 -7.124 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.729 -20.414 -8.108 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.609 -21.904 -8.525 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -9.638 -23.697 -4.740 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.662 -22.260 -4.352 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.875 -22.188 -5.652 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.602 -20.718 -7.223 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.822 -19.515 -7.523 1.00 53.51 C ATOM 1085 C GLU A 72 -2.768 -19.819 -8.586 1.00 55.15 C ATOM 1086 O GLU A 72 -2.584 -19.057 -9.543 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.131 -18.991 -6.253 1.00 52.51 C ATOM 1088 CG GLU A 72 -4.021 -18.995 -5.014 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.339 -18.381 -3.801 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -2.317 -18.941 -3.344 1.00 15.35 O ATOM 1091 OE2 GLU A 72 -3.811 -17.331 -3.310 1.00 52.10 O ATOM 0 H GLU A 72 -4.540 -21.020 -6.251 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.503 -18.752 -7.899 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.248 -19.599 -6.055 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.783 -17.974 -6.434 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -4.937 -18.445 -5.228 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.311 -20.020 -4.783 1.00 33.15 H new ATOM 1098 N LYS A 73 -2.089 -20.949 -8.405 1.00 41.33 N ATOM 1099 CA LYS A 73 -1.049 -21.392 -9.327 1.00 45.24 C ATOM 1100 C LYS A 73 -1.597 -21.456 -10.747 1.00 24.45 C ATOM 1101 O LYS A 73 -1.002 -20.912 -11.682 1.00 4.23 O ATOM 1102 CB LYS A 73 -0.526 -22.775 -8.916 1.00 73.41 C ATOM 1103 CG LYS A 73 0.021 -22.844 -7.496 1.00 61.01 C ATOM 1104 CD LYS A 73 1.281 -22.000 -7.320 1.00 25.10 C ATOM 1105 CE LYS A 73 1.847 -22.126 -5.911 1.00 44.05 C ATOM 1106 NZ LYS A 73 2.059 -23.547 -5.527 1.00 4.13 N ATOM 0 H LYS A 73 -2.244 -21.580 -7.619 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.229 -20.675 -9.291 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -1.333 -23.500 -9.017 1.00 73.41 H new ATOM 0 HB3 LYS A 73 0.260 -23.074 -9.610 1.00 73.41 H new ATOM 0 HG2 LYS A 73 -0.743 -22.503 -6.798 1.00 61.01 H new ATOM 0 HG3 LYS A 73 0.243 -23.881 -7.244 1.00 61.01 H new ATOM 0 HD2 LYS A 73 2.033 -22.312 -8.044 1.00 25.10 H new ATOM 0 HD3 LYS A 73 1.052 -20.955 -7.529 1.00 25.10 H new ATOM 0 HE2 LYS A 73 2.793 -21.588 -5.850 1.00 44.05 H new ATOM 0 HE3 LYS A 73 1.166 -21.655 -5.202 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 1.438 -23.787 -4.728 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 1.837 -24.162 -6.336 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 3.051 -23.687 -5.248 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.746 -22.106 -10.897 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.366 -22.271 -12.205 1.00 22.20 C ATOM 1122 C PHE A 74 -3.949 -20.962 -12.731 1.00 73.02 C ATOM 1123 O PHE A 74 -4.045 -20.781 -13.939 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.418 -23.384 -12.177 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.805 -24.761 -12.245 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -3.526 -25.343 -13.471 1.00 44.31 C ATOM 1127 CD2 PHE A 74 -3.492 -25.464 -11.091 1.00 44.33 C ATOM 1128 CE1 PHE A 74 -2.951 -26.596 -13.545 1.00 73.32 C ATOM 1129 CE2 PHE A 74 -2.914 -26.716 -11.160 1.00 1.45 C ATOM 1130 CZ PHE A 74 -2.646 -27.283 -12.391 1.00 62.40 C ATOM 0 H PHE A 74 -3.267 -22.527 -10.128 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.582 -22.569 -12.902 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -5.009 -23.298 -11.265 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -5.103 -23.253 -13.015 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -3.761 -24.810 -14.380 1.00 44.31 H new ATOM 0 HD2 PHE A 74 -3.703 -25.027 -10.126 1.00 44.33 H new ATOM 0 HE1 PHE A 74 -2.740 -27.037 -14.508 1.00 73.32 H new ATOM 0 HE2 PHE A 74 -2.672 -27.251 -10.254 1.00 1.45 H new ATOM 0 HZ PHE A 74 -2.198 -28.264 -12.448 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.345 -20.053 -11.840 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.805 -18.734 -12.280 1.00 31.44 C ATOM 1142 C ILE A 75 -3.667 -18.002 -12.986 1.00 22.43 C ATOM 1143 O ILE A 75 -3.808 -17.548 -14.125 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.294 -17.857 -11.096 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.505 -18.500 -10.401 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.635 -16.443 -11.572 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -6.971 -17.756 -9.165 1.00 30.54 C ATOM 0 H ILE A 75 -4.358 -20.199 -10.831 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.644 -18.896 -12.957 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.483 -17.788 -10.371 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.330 -18.558 -11.111 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.251 -19.523 -10.123 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -5.975 -15.846 -10.726 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -4.749 -15.982 -12.008 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.424 -16.492 -12.322 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -7.828 -18.271 -8.732 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.162 -17.720 -8.435 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.258 -16.741 -9.438 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.514 -17.949 -12.319 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.339 -17.279 -12.870 1.00 4.04 C ATOM 1161 C ALA A 76 -0.886 -17.993 -14.137 1.00 21.11 C ATOM 1162 O ALA A 76 -0.336 -17.381 -15.053 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.217 -17.230 -11.833 1.00 5.44 C ATOM 0 H ALA A 76 -2.370 -18.362 -11.397 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.599 -16.252 -13.127 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.651 -16.728 -12.260 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.557 -16.683 -10.954 1.00 5.44 H new ATOM 0 HB3 ALA A 76 0.057 -18.245 -11.545 1.00 5.44 H new ATOM 1169 N ASP A 77 -1.164 -19.292 -14.187 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.818 -20.130 -15.332 1.00 42.01 C ATOM 1171 C ASP A 77 -1.561 -19.691 -16.592 1.00 61.43 C ATOM 1172 O ASP A 77 -1.126 -19.970 -17.709 1.00 2.14 O ATOM 1173 CB ASP A 77 -1.148 -21.595 -15.023 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.808 -22.543 -16.164 1.00 43.21 C ATOM 1175 OD1 ASP A 77 0.389 -22.668 -16.508 1.00 14.33 O ATOM 1176 OD2 ASP A 77 -1.734 -23.175 -16.713 1.00 31.32 O ATOM 0 H ASP A 77 -1.636 -19.794 -13.435 1.00 61.03 H new ATOM 0 HA ASP A 77 0.251 -20.023 -15.515 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.603 -21.902 -14.130 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -2.210 -21.680 -14.793 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.678 -18.991 -16.412 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.498 -18.552 -17.539 1.00 54.41 C ATOM 1183 C VAL A 78 -3.131 -17.116 -17.929 1.00 22.23 C ATOM 1184 O VAL A 78 -3.970 -16.338 -18.392 1.00 42.11 O ATOM 1185 CB VAL A 78 -5.005 -18.656 -17.191 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.875 -18.478 -18.436 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.299 -19.995 -16.519 1.00 24.11 C ATOM 0 H VAL A 78 -3.036 -18.716 -15.498 1.00 0.21 H new ATOM 0 HA VAL A 78 -3.301 -19.205 -18.389 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.249 -17.852 -16.497 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.926 -18.556 -18.159 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.687 -17.498 -18.874 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.633 -19.253 -19.163 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.361 -20.056 -16.279 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -5.032 -20.808 -17.195 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.715 -20.078 -15.603 1.00 24.11 H new ATOM 1197 N THR A 79 -1.859 -16.771 -17.719 1.00 30.41 N ATOM 1198 CA THR A 79 -1.320 -15.470 -18.113 1.00 54.12 C ATOM 1199 C THR A 79 -2.032 -14.328 -17.370 1.00 71.50 C ATOM 1200 O THR A 79 -1.956 -13.162 -17.759 1.00 33.50 O ATOM 1201 CB THR A 79 -1.440 -15.290 -19.652 1.00 72.30 C ATOM 1202 OG1 THR A 79 -0.968 -16.482 -20.307 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.633 -14.092 -20.153 1.00 22.22 C ATOM 0 H THR A 79 -1.177 -17.384 -17.273 1.00 30.41 H new ATOM 0 HA THR A 79 -0.266 -15.434 -17.838 1.00 54.12 H new ATOM 0 HB THR A 79 -2.489 -15.110 -19.886 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.044 -16.373 -21.278 1.00 53.21 H new ATOM 0 HG21 THR A 79 -0.746 -14.004 -21.234 1.00 22.22 H new ATOM 0 HG22 THR A 79 -0.997 -13.183 -19.675 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.420 -14.234 -19.908 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.705 -14.672 -16.272 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.429 -13.686 -15.478 1.00 2.22 C ATOM 1213 C LYS A 80 -2.454 -12.797 -14.711 1.00 73.41 C ATOM 1214 O LYS A 80 -2.709 -11.606 -14.527 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.400 -14.371 -14.503 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.156 -13.396 -13.597 1.00 21.24 C ATOM 1217 CD LYS A 80 -6.044 -12.438 -14.396 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.318 -11.139 -13.640 1.00 30.34 C ATOM 1219 NZ LYS A 80 -6.922 -11.365 -12.301 1.00 71.14 N ATOM 0 H LYS A 80 -2.762 -15.626 -15.914 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.009 -13.065 -16.160 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -5.121 -14.956 -15.074 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.842 -15.072 -13.882 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.771 -13.958 -12.894 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.442 -12.821 -13.008 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.564 -12.208 -15.347 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -6.990 -12.929 -14.626 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -5.384 -10.589 -13.524 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -6.985 -10.513 -14.233 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.117 -10.449 -11.849 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -7.810 -11.895 -12.406 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -6.262 -11.909 -11.710 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.343 -13.398 -14.272 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.312 -12.716 -13.474 1.00 70.42 C ATOM 1235 C ASP A 81 -0.794 -12.428 -12.050 1.00 63.31 C ATOM 1236 O ASP A 81 -0.109 -12.759 -11.080 1.00 51.31 O ATOM 1237 CB ASP A 81 0.150 -11.408 -14.139 1.00 15.35 C ATOM 1238 CG ASP A 81 1.174 -10.654 -13.298 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.387 -10.926 -13.442 1.00 21.22 O ATOM 1240 OD2 ASP A 81 0.777 -9.787 -12.490 1.00 53.32 O ATOM 0 H ASP A 81 -1.130 -14.378 -14.460 1.00 15.43 H new ATOM 0 HA ASP A 81 0.537 -13.398 -13.421 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.581 -11.633 -15.115 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.715 -10.768 -14.313 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.964 -11.799 -11.940 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.540 -11.407 -10.657 1.00 23.24 C ATOM 1247 C GLU A 82 -3.680 -12.351 -10.259 1.00 62.30 C ATOM 1248 O GLU A 82 -4.819 -12.172 -10.699 1.00 24.41 O ATOM 1249 CB GLU A 82 -3.069 -9.969 -10.766 1.00 2.34 C ATOM 1250 CG GLU A 82 -3.537 -9.370 -9.446 1.00 51.23 C ATOM 1251 CD GLU A 82 -2.395 -9.129 -8.476 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -1.601 -8.194 -8.713 1.00 21.23 O ATOM 1253 OE2 GLU A 82 -2.286 -9.867 -7.472 1.00 14.04 O ATOM 0 H GLU A 82 -2.540 -11.547 -12.743 1.00 51.11 H new ATOM 0 HA GLU A 82 -1.768 -11.465 -9.889 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -2.284 -9.336 -11.180 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -3.898 -9.952 -11.473 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -4.049 -8.427 -9.640 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -4.265 -10.039 -8.986 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.391 -13.394 -9.457 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.422 -14.288 -8.934 1.00 1.43 C ATOM 1262 C PRO A 83 -5.088 -13.703 -7.691 1.00 63.44 C ATOM 1263 O PRO A 83 -4.730 -14.044 -6.558 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.637 -15.563 -8.603 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.269 -15.078 -8.238 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.040 -13.796 -9.013 1.00 42.23 C ATOM 0 HA PRO A 83 -5.238 -14.459 -9.636 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.097 -16.110 -7.780 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -3.603 -16.241 -9.456 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.195 -14.900 -7.165 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.514 -15.823 -8.490 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.582 -13.029 -8.388 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.374 -13.957 -9.861 1.00 42.23 H new ATOM 1274 N THR A 84 -6.042 -12.801 -7.904 1.00 62.44 N ATOM 1275 CA THR A 84 -6.689 -12.101 -6.800 1.00 64.50 C ATOM 1276 C THR A 84 -7.932 -12.852 -6.318 1.00 62.30 C ATOM 1277 O THR A 84 -8.359 -13.852 -6.924 1.00 22.53 O ATOM 1278 CB THR A 84 -7.065 -10.640 -7.175 1.00 74.30 C ATOM 1279 OG1 THR A 84 -7.559 -9.942 -6.019 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.116 -10.593 -8.281 1.00 32.20 C ATOM 0 H THR A 84 -6.383 -12.539 -8.829 1.00 62.44 H new ATOM 0 HA THR A 84 -5.963 -12.064 -5.988 1.00 64.50 H new ATOM 0 HB THR A 84 -6.160 -10.155 -7.542 1.00 74.30 H new ATOM 0 HG1 THR A 84 -7.791 -9.023 -6.266 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.352 -9.555 -8.515 1.00 32.20 H new ATOM 0 HG22 THR A 84 -7.729 -11.087 -9.172 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.019 -11.104 -7.947 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.503 -12.359 -5.219 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.672 -12.967 -4.597 1.00 53.25 C ATOM 1290 C ALA A 85 -10.810 -13.143 -5.598 1.00 55.44 C ATOM 1291 O ALA A 85 -11.593 -14.077 -5.485 1.00 52.34 O ATOM 1292 CB ALA A 85 -10.136 -12.132 -3.409 1.00 13.24 C ATOM 0 H ALA A 85 -8.165 -11.526 -4.737 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.383 -13.957 -4.243 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -11.010 -12.599 -2.955 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.334 -12.070 -2.673 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.396 -11.129 -3.748 1.00 13.24 H new ATOM 1298 N GLN A 86 -10.895 -12.243 -6.575 1.00 34.21 N ATOM 1299 CA GLN A 86 -11.932 -12.328 -7.604 1.00 11.51 C ATOM 1300 C GLN A 86 -11.768 -13.594 -8.441 1.00 50.40 C ATOM 1301 O GLN A 86 -12.700 -14.391 -8.558 1.00 71.31 O ATOM 1302 CB GLN A 86 -11.902 -11.097 -8.517 1.00 50.03 C ATOM 1303 CG GLN A 86 -12.897 -11.178 -9.671 1.00 41.24 C ATOM 1304 CD GLN A 86 -12.957 -9.911 -10.500 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -11.963 -9.201 -10.653 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -14.134 -9.611 -11.030 1.00 55.22 N ATOM 0 H GLN A 86 -10.262 -11.450 -6.677 1.00 34.21 H new ATOM 0 HA GLN A 86 -12.896 -12.365 -7.096 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.116 -10.208 -7.924 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -10.897 -10.977 -8.921 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.627 -12.014 -10.316 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -13.889 -11.390 -9.272 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -14.933 -10.227 -10.879 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -14.241 -8.764 -11.589 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.578 -13.780 -9.010 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.303 -14.945 -9.849 1.00 32.24 C ATOM 1317 C ASP A 87 -10.524 -16.214 -9.038 1.00 42.21 C ATOM 1318 O ASP A 87 -11.274 -17.108 -9.437 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.855 -14.934 -10.367 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.441 -13.620 -11.006 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -8.813 -13.358 -12.169 1.00 21.13 O ATOM 1322 OD2 ASP A 87 -7.726 -12.841 -10.345 1.00 14.52 O ATOM 0 H ASP A 87 -9.790 -13.140 -8.906 1.00 24.32 H new ATOM 0 HA ASP A 87 -10.978 -14.912 -10.704 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.181 -15.152 -9.538 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.734 -15.735 -11.096 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.880 -16.254 -7.875 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.974 -17.385 -6.961 1.00 12.41 C ATOM 1329 C ILE A 88 -11.412 -17.662 -6.562 1.00 62.53 C ATOM 1330 O ILE A 88 -11.828 -18.813 -6.503 1.00 0.14 O ATOM 1331 CB ILE A 88 -9.116 -17.123 -5.704 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.653 -17.000 -6.126 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.298 -18.229 -4.664 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.747 -16.412 -5.086 1.00 42.04 C ATOM 0 H ILE A 88 -9.278 -15.502 -7.541 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.596 -18.266 -7.480 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.440 -16.194 -5.235 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -7.282 -17.989 -6.394 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.599 -16.385 -7.025 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.680 -18.014 -3.792 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.345 -18.278 -4.364 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -8.999 -19.185 -5.094 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.730 -16.364 -5.475 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.087 -15.408 -4.833 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -6.765 -17.036 -4.193 1.00 42.04 H new ATOM 1346 N SER A 89 -12.166 -16.609 -6.292 1.00 54.03 N ATOM 1347 CA SER A 89 -13.573 -16.750 -5.933 1.00 31.54 C ATOM 1348 C SER A 89 -14.354 -17.420 -7.066 1.00 63.41 C ATOM 1349 O SER A 89 -15.108 -18.363 -6.825 1.00 50.42 O ATOM 1350 CB SER A 89 -14.192 -15.390 -5.585 1.00 55.52 C ATOM 1351 OG SER A 89 -15.521 -15.536 -5.103 1.00 41.44 O ATOM 0 H SER A 89 -11.830 -15.646 -6.314 1.00 54.03 H new ATOM 0 HA SER A 89 -13.632 -17.385 -5.049 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.582 -14.893 -4.831 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.191 -14.751 -6.468 1.00 55.52 H new ATOM 0 HG SER A 89 -15.890 -14.654 -4.888 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.158 -16.949 -8.303 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.851 -17.526 -9.460 1.00 54.03 C ATOM 1359 C ARG A 90 -14.512 -19.011 -9.582 1.00 24.50 C ATOM 1360 O ARG A 90 -15.399 -19.880 -9.588 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.448 -16.814 -10.764 1.00 2.20 C ATOM 1362 CG ARG A 90 -14.706 -15.307 -10.790 1.00 50.34 C ATOM 1363 CD ARG A 90 -14.389 -14.727 -12.167 1.00 62.12 C ATOM 1364 NE ARG A 90 -14.361 -13.264 -12.181 1.00 24.24 N ATOM 1365 CZ ARG A 90 -14.532 -12.530 -13.283 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -14.999 -13.086 -14.396 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -14.306 -11.225 -13.256 1.00 40.20 N ATOM 0 H ARG A 90 -13.531 -16.177 -8.527 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.922 -17.396 -9.305 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.387 -16.988 -10.941 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.988 -17.273 -11.592 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -15.747 -15.107 -10.537 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.094 -14.815 -10.034 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -13.423 -15.106 -12.501 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -15.133 -15.077 -12.882 1.00 62.12 H new ATOM 0 HE ARG A 90 -14.202 -12.777 -11.299 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -15.229 -14.080 -14.412 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -15.127 -12.519 -15.234 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -14.000 -10.778 -12.392 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -14.438 -10.667 -14.100 1.00 40.20 H new ATOM 1381 N VAL A 91 -13.214 -19.290 -9.655 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.719 -20.654 -9.785 1.00 73.33 C ATOM 1383 C VAL A 91 -13.271 -21.522 -8.658 1.00 11.43 C ATOM 1384 O VAL A 91 -13.849 -22.586 -8.901 1.00 41.13 O ATOM 1385 CB VAL A 91 -11.169 -20.699 -9.763 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.665 -22.125 -9.947 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.577 -19.774 -10.826 1.00 44.15 C ATOM 0 H VAL A 91 -12.481 -18.581 -9.626 1.00 13.22 H new ATOM 0 HA VAL A 91 -13.059 -21.040 -10.746 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.838 -20.344 -8.787 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.575 -22.131 -9.928 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -11.045 -22.752 -9.141 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -11.013 -22.513 -10.904 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.489 -19.825 -10.788 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.921 -20.086 -11.812 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.899 -18.750 -10.637 1.00 44.15 H new ATOM 1397 N ALA A 92 -13.116 -21.032 -7.433 1.00 14.51 N ATOM 1398 CA ALA A 92 -13.591 -21.728 -6.244 1.00 51.41 C ATOM 1399 C ALA A 92 -15.095 -21.966 -6.322 1.00 45.24 C ATOM 1400 O ALA A 92 -15.588 -23.003 -5.887 1.00 41.04 O ATOM 1401 CB ALA A 92 -13.234 -20.947 -4.984 1.00 45.23 C ATOM 0 H ALA A 92 -12.658 -20.142 -7.237 1.00 14.51 H new ATOM 0 HA ALA A 92 -13.095 -22.698 -6.197 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -13.598 -21.484 -4.108 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -12.152 -20.837 -4.919 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.697 -19.961 -5.024 1.00 45.23 H new ATOM 1407 N SER A 93 -15.815 -21.008 -6.900 1.00 15.05 N ATOM 1408 CA SER A 93 -17.255 -21.128 -7.071 1.00 62.23 C ATOM 1409 C SER A 93 -17.588 -22.263 -8.036 1.00 73.41 C ATOM 1410 O SER A 93 -18.531 -23.016 -7.803 1.00 13.21 O ATOM 1411 CB SER A 93 -17.853 -19.805 -7.565 1.00 70.15 C ATOM 1412 OG SER A 93 -17.778 -18.799 -6.565 1.00 11.51 O ATOM 0 H SER A 93 -15.420 -20.138 -7.258 1.00 15.05 H new ATOM 0 HA SER A 93 -17.697 -21.361 -6.102 1.00 62.23 H new ATOM 0 HB2 SER A 93 -17.322 -19.474 -8.457 1.00 70.15 H new ATOM 0 HB3 SER A 93 -18.893 -19.958 -7.852 1.00 70.15 H new ATOM 0 HG SER A 93 -16.841 -18.552 -6.419 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.801 -22.402 -9.108 1.00 41.15 N ATOM 1419 CA ARG A 94 -17.033 -23.485 -10.077 1.00 3.43 C ATOM 1420 C ARG A 94 -16.803 -24.835 -9.426 1.00 32.51 C ATOM 1421 O ARG A 94 -17.663 -25.715 -9.454 1.00 40.31 O ATOM 1422 CB ARG A 94 -16.093 -23.379 -11.283 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.961 -21.987 -11.840 1.00 61.23 C ATOM 1424 CD ARG A 94 -17.320 -21.362 -12.089 1.00 13.22 C ATOM 1425 NE ARG A 94 -18.053 -22.051 -13.159 1.00 3.54 N ATOM 1426 CZ ARG A 94 -19.286 -21.736 -13.563 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -19.939 -20.716 -13.016 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -19.864 -22.457 -14.517 1.00 21.02 N ATOM 0 H ARG A 94 -16.012 -21.793 -9.327 1.00 41.15 H new ATOM 0 HA ARG A 94 -18.065 -23.390 -10.414 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -15.105 -23.738 -10.993 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -16.454 -24.041 -12.070 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.395 -21.367 -11.145 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.396 -22.018 -12.772 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.906 -21.391 -11.171 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.194 -20.312 -12.354 1.00 13.22 H new ATOM 0 HE ARG A 94 -17.586 -22.827 -13.628 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -19.499 -20.165 -12.280 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -20.881 -20.485 -13.333 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -19.366 -23.243 -14.934 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -20.806 -22.224 -14.832 1.00 21.02 H new ATOM 1442 N LEU A 95 -15.622 -24.982 -8.844 1.00 55.01 N ATOM 1443 CA LEU A 95 -15.233 -26.249 -8.210 1.00 15.52 C ATOM 1444 C LEU A 95 -16.115 -26.565 -6.999 1.00 70.41 C ATOM 1445 O LEU A 95 -16.335 -27.731 -6.674 1.00 61.13 O ATOM 1446 CB LEU A 95 -13.720 -26.297 -7.869 1.00 62.31 C ATOM 1447 CG LEU A 95 -13.133 -25.128 -7.041 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.870 -25.530 -5.592 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.842 -24.619 -7.678 1.00 73.21 C ATOM 0 H LEU A 95 -14.915 -24.249 -8.794 1.00 55.01 H new ATOM 0 HA LEU A 95 -15.403 -27.039 -8.942 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -13.527 -27.223 -7.326 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -13.166 -26.356 -8.806 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.876 -24.331 -7.038 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -12.459 -24.680 -5.048 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -13.805 -25.842 -5.126 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -12.159 -26.356 -5.567 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -11.442 -23.797 -7.084 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -11.112 -25.428 -7.717 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -12.049 -24.268 -8.689 1.00 73.21 H new ATOM 1461 N ALA A 96 -16.634 -25.530 -6.341 1.00 40.45 N ATOM 1462 CA ALA A 96 -17.609 -25.720 -5.264 1.00 52.43 C ATOM 1463 C ALA A 96 -18.980 -26.076 -5.845 1.00 51.03 C ATOM 1464 O ALA A 96 -19.739 -26.854 -5.257 1.00 52.32 O ATOM 1465 CB ALA A 96 -17.706 -24.472 -4.394 1.00 5.15 C ATOM 0 H ALA A 96 -16.399 -24.556 -6.532 1.00 40.45 H new ATOM 0 HA ALA A 96 -17.271 -26.545 -4.637 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -18.436 -24.637 -3.601 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.732 -24.260 -3.952 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -18.019 -23.626 -5.005 1.00 5.15 H new ATOM 1471 N ALA A 97 -19.281 -25.503 -7.009 1.00 43.02 N ATOM 1472 CA ALA A 97 -20.530 -25.775 -7.718 1.00 4.04 C ATOM 1473 C ALA A 97 -20.522 -27.192 -8.277 1.00 60.22 C ATOM 1474 O ALA A 97 -21.563 -27.729 -8.648 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.754 -24.763 -8.838 1.00 52.53 C ATOM 0 H ALA A 97 -18.669 -24.840 -7.485 1.00 43.02 H new ATOM 0 HA ALA A 97 -21.352 -25.682 -7.008 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -21.690 -24.988 -9.350 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.803 -23.759 -8.417 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.929 -24.818 -9.549 1.00 52.53 H new ATOM 1481 N GLY A 98 -19.329 -27.785 -8.344 1.00 10.24 N ATOM 1482 CA GLY A 98 -19.190 -29.170 -8.771 1.00 71.13 C ATOM 1483 C GLY A 98 -19.812 -30.149 -7.791 1.00 75.14 C ATOM 1484 O GLY A 98 -19.681 -31.362 -7.955 1.00 24.30 O ATOM 0 H GLY A 98 -18.450 -27.326 -8.108 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -19.657 -29.294 -9.748 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -18.132 -29.405 -8.891 1.00 71.13 H new ATOM 1488 N GLY A 99 -20.466 -29.619 -6.757 1.00 44.44 N ATOM 1489 CA GLY A 99 -21.193 -30.447 -5.818 1.00 11.31 C ATOM 1490 C GLY A 99 -22.236 -31.304 -6.507 1.00 2.41 C ATOM 1491 O GLY A 99 -23.305 -30.815 -6.874 1.00 24.34 O ATOM 0 H GLY A 99 -20.502 -28.620 -6.556 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -20.493 -31.088 -5.282 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -21.677 -29.813 -5.075 1.00 11.31 H new ATOM 1495 N TRP A 100 -21.901 -32.580 -6.681 1.00 33.12 N ATOM 1496 CA TRP A 100 -22.753 -33.572 -7.349 1.00 54.53 C ATOM 1497 C TRP A 100 -24.192 -33.603 -6.756 1.00 63.43 C ATOM 1498 O TRP A 100 -24.490 -32.816 -5.853 1.00 14.14 O ATOM 1499 CB TRP A 100 -22.014 -34.924 -7.309 1.00 53.11 C ATOM 1500 CG TRP A 100 -20.980 -35.050 -8.391 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -19.846 -34.301 -8.547 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -21.001 -35.975 -9.485 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -19.162 -34.708 -9.668 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -19.849 -35.735 -10.258 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -21.879 -36.986 -9.882 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -19.557 -36.465 -11.406 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -21.589 -37.710 -11.022 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -20.434 -37.448 -11.772 1.00 25.43 C ATOM 0 H TRP A 100 -21.014 -32.965 -6.357 1.00 33.12 H new ATOM 0 HA TRP A 100 -22.917 -33.304 -8.393 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -21.534 -35.043 -6.338 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -22.738 -35.733 -7.408 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -19.534 -33.506 -7.886 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -18.286 -34.310 -10.005 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -22.769 -37.198 -9.308 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -18.669 -36.262 -11.987 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -22.263 -38.491 -11.341 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -20.233 -38.034 -12.656 1.00 25.43 H new ATOM 1519 N PRO A 101 -25.086 -34.561 -7.162 1.00 54.45 N ATOM 1520 CA PRO A 101 -26.523 -34.348 -7.251 1.00 61.44 C ATOM 1521 C PRO A 101 -26.996 -32.919 -6.968 1.00 74.42 C ATOM 1522 O PRO A 101 -27.257 -32.531 -5.823 1.00 34.13 O ATOM 1523 CB PRO A 101 -27.000 -35.383 -6.238 1.00 45.13 C ATOM 1524 CG PRO A 101 -26.040 -36.539 -6.437 1.00 52.13 C ATOM 1525 CD PRO A 101 -24.881 -36.007 -7.280 1.00 25.12 C ATOM 0 HA PRO A 101 -26.927 -34.467 -8.256 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -26.958 -34.997 -5.219 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -28.032 -35.681 -6.424 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -25.681 -36.914 -5.478 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -26.534 -37.371 -6.939 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -23.912 -36.319 -6.891 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -24.934 -36.347 -8.314 1.00 25.12 H new ATOM 1533 N LEU A 102 -27.074 -32.140 -8.047 1.00 10.31 N ATOM 1534 CA LEU A 102 -27.564 -30.766 -8.012 1.00 74.21 C ATOM 1535 C LEU A 102 -28.638 -30.575 -9.080 1.00 33.31 C ATOM 1536 O LEU A 102 -28.820 -31.438 -9.945 1.00 3.42 O ATOM 1537 CB LEU A 102 -26.402 -29.765 -8.213 1.00 54.21 C ATOM 1538 CG LEU A 102 -25.546 -29.930 -9.496 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -26.277 -29.424 -10.740 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -24.205 -29.213 -9.343 1.00 12.44 C ATOM 0 H LEU A 102 -26.796 -32.450 -8.978 1.00 10.31 H new ATOM 0 HA LEU A 102 -28.004 -30.572 -7.034 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -26.818 -28.758 -8.210 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -25.739 -29.838 -7.351 1.00 54.21 H new ATOM 0 HG LEU A 102 -25.367 -30.997 -9.630 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -25.642 -29.558 -11.615 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -27.201 -29.986 -10.873 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -26.510 -28.366 -10.620 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -23.619 -29.340 -10.253 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -24.378 -28.151 -9.168 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -23.661 -29.636 -8.499 1.00 12.44 H new ATOM 1552 N ALA A 103 -29.351 -29.458 -9.012 1.00 35.13 N ATOM 1553 CA ALA A 103 -30.342 -29.111 -10.025 1.00 1.22 C ATOM 1554 C ALA A 103 -30.176 -27.655 -10.451 1.00 44.52 C ATOM 1555 O ALA A 103 -29.659 -26.837 -9.686 1.00 71.31 O ATOM 1556 CB ALA A 103 -31.746 -29.354 -9.492 1.00 34.24 C ATOM 0 H ALA A 103 -29.261 -28.773 -8.262 1.00 35.13 H new ATOM 0 HA ALA A 103 -30.188 -29.746 -10.898 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -32.476 -29.091 -10.257 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -31.858 -30.406 -9.229 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -31.911 -28.739 -8.607 1.00 34.24 H new ATOM 1562 N GLY A 104 -30.610 -27.337 -11.669 1.00 1.03 N ATOM 1563 CA GLY A 104 -30.499 -25.979 -12.180 1.00 34.40 C ATOM 1564 C GLY A 104 -29.173 -25.733 -12.874 1.00 2.44 C ATOM 1565 O GLY A 104 -28.504 -24.729 -12.619 1.00 60.53 O ATOM 0 H GLY A 104 -31.039 -28.000 -12.315 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -31.313 -25.788 -12.879 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -30.613 -25.273 -11.357 1.00 34.40 H new ATOM 1569 N VAL A 105 -28.785 -26.660 -13.750 1.00 75.25 N ATOM 1570 CA VAL A 105 -27.554 -26.559 -14.490 1.00 23.35 C ATOM 1571 C VAL A 105 -27.589 -25.373 -15.463 1.00 14.03 C ATOM 1572 O VAL A 105 -28.230 -25.427 -16.517 1.00 43.04 O ATOM 1573 CB VAL A 105 -27.282 -27.879 -15.250 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -26.906 -28.998 -14.282 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -28.480 -28.299 -16.112 1.00 71.45 C ATOM 0 H VAL A 105 -29.326 -27.499 -13.958 1.00 75.25 H new ATOM 0 HA VAL A 105 -26.743 -26.385 -13.783 1.00 23.35 H new ATOM 0 HB VAL A 105 -26.440 -27.697 -15.918 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -26.720 -29.915 -14.841 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -26.006 -28.718 -13.734 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -27.723 -29.161 -13.579 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -28.248 -29.230 -16.629 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -29.353 -28.445 -15.476 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -28.692 -27.520 -16.845 1.00 71.45 H new ATOM 1585 N ASP A 106 -26.919 -24.288 -15.085 1.00 34.34 N ATOM 1586 CA ASP A 106 -26.881 -23.084 -15.909 1.00 34.40 C ATOM 1587 C ASP A 106 -25.942 -23.267 -17.094 1.00 44.13 C ATOM 1588 O ASP A 106 -24.727 -23.067 -16.978 1.00 12.44 O ATOM 1589 CB ASP A 106 -26.435 -21.865 -15.085 1.00 3.44 C ATOM 1590 CG ASP A 106 -27.462 -21.435 -14.050 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -28.373 -20.653 -14.398 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -27.355 -21.862 -12.881 1.00 25.55 O ATOM 0 H ASP A 106 -26.395 -24.218 -14.213 1.00 34.34 H new ATOM 0 HA ASP A 106 -27.891 -22.909 -16.279 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -25.497 -22.098 -14.582 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -26.237 -21.032 -15.759 1.00 3.44 H new ATOM 1597 N SER A 107 -26.508 -23.654 -18.228 1.00 25.45 N ATOM 1598 CA SER A 107 -25.756 -23.743 -19.471 1.00 20.22 C ATOM 1599 C SER A 107 -25.692 -22.362 -20.111 1.00 62.13 C ATOM 1600 O SER A 107 -24.779 -22.058 -20.877 1.00 71.25 O ATOM 1601 CB SER A 107 -26.406 -24.753 -20.428 1.00 31.03 C ATOM 1602 OG SER A 107 -25.619 -24.940 -21.596 1.00 63.21 O ATOM 0 H SER A 107 -27.491 -23.913 -18.313 1.00 25.45 H new ATOM 0 HA SER A 107 -24.746 -24.092 -19.258 1.00 20.22 H new ATOM 0 HB2 SER A 107 -26.536 -25.708 -19.918 1.00 31.03 H new ATOM 0 HB3 SER A 107 -27.399 -24.403 -20.709 1.00 31.03 H new ATOM 0 HG SER A 107 -26.057 -25.589 -22.185 1.00 63.21 H new ATOM 1608 N THR A 108 -26.670 -21.527 -19.774 1.00 52.43 N ATOM 1609 CA THR A 108 -26.714 -20.152 -20.252 1.00 65.30 C ATOM 1610 C THR A 108 -25.652 -19.307 -19.545 1.00 75.14 C ATOM 1611 O THR A 108 -25.132 -18.342 -20.105 1.00 15.14 O ATOM 1612 CB THR A 108 -28.119 -19.533 -20.033 1.00 33.03 C ATOM 1613 OG1 THR A 108 -28.201 -18.237 -20.646 1.00 25.35 O ATOM 1614 CG2 THR A 108 -28.448 -19.418 -18.548 1.00 32.14 C ATOM 0 H THR A 108 -27.448 -21.783 -19.166 1.00 52.43 H new ATOM 0 HA THR A 108 -26.505 -20.160 -21.322 1.00 65.30 H new ATOM 0 HB THR A 108 -28.846 -20.198 -20.499 1.00 33.03 H new ATOM 0 HG1 THR A 108 -29.094 -17.862 -20.499 1.00 25.35 H new ATOM 0 HG21 THR A 108 -29.439 -18.981 -18.428 1.00 32.14 H new ATOM 0 HG22 THR A 108 -28.431 -20.409 -18.094 1.00 32.14 H new ATOM 0 HG23 THR A 108 -27.709 -18.782 -18.060 1.00 32.14 H new ATOM 1622 N ALA A 109 -25.311 -19.701 -18.317 1.00 54.00 N ATOM 1623 CA ALA A 109 -24.322 -18.983 -17.518 1.00 24.21 C ATOM 1624 C ALA A 109 -22.974 -19.681 -17.628 1.00 11.04 C ATOM 1625 O ALA A 109 -22.036 -19.378 -16.894 1.00 23.33 O ATOM 1626 CB ALA A 109 -24.771 -18.892 -16.061 1.00 14.02 C ATOM 0 H ALA A 109 -25.709 -20.518 -17.854 1.00 54.00 H new ATOM 0 HA ALA A 109 -24.224 -17.967 -17.900 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -24.021 -18.354 -15.482 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -25.722 -18.362 -16.006 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -24.892 -19.896 -15.654 1.00 14.02 H new ATOM 1632 N LEU A 110 -22.894 -20.627 -18.561 1.00 1.22 N ATOM 1633 CA LEU A 110 -21.661 -21.352 -18.828 1.00 62.21 C ATOM 1634 C LEU A 110 -20.613 -20.369 -19.341 1.00 32.34 C ATOM 1635 O LEU A 110 -19.421 -20.510 -19.078 1.00 74.23 O ATOM 1636 CB LEU A 110 -21.939 -22.470 -19.852 1.00 35.40 C ATOM 1637 CG LEU A 110 -21.031 -23.710 -19.783 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -19.633 -23.407 -20.309 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -20.978 -24.250 -18.355 1.00 71.20 C ATOM 0 H LEU A 110 -23.679 -20.909 -19.148 1.00 1.22 H new ATOM 0 HA LEU A 110 -21.281 -21.817 -17.918 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -22.971 -22.797 -19.728 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -21.858 -22.044 -20.852 1.00 35.40 H new ATOM 0 HG LEU A 110 -21.458 -24.479 -20.426 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -19.018 -24.305 -20.246 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -19.697 -23.084 -21.348 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -19.182 -22.616 -19.710 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -20.332 -25.127 -18.321 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -20.582 -23.482 -17.690 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -21.982 -24.526 -18.033 1.00 71.20 H new ATOM 1651 N ASN A 111 -21.088 -19.364 -20.060 1.00 2.03 N ATOM 1652 CA ASN A 111 -20.259 -18.249 -20.488 1.00 51.20 C ATOM 1653 C ASN A 111 -21.020 -16.955 -20.214 1.00 3.43 C ATOM 1654 O ASN A 111 -21.837 -16.513 -21.028 1.00 20.31 O ATOM 1655 CB ASN A 111 -19.902 -18.382 -21.978 1.00 51.14 C ATOM 1656 CG ASN A 111 -18.862 -17.369 -22.439 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -18.815 -16.236 -21.961 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -18.013 -17.774 -23.370 1.00 71.21 N ATOM 0 H ASN A 111 -22.060 -19.299 -20.363 1.00 2.03 H new ATOM 0 HA ASN A 111 -19.321 -18.243 -19.933 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -19.528 -19.388 -22.167 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -20.807 -18.261 -22.574 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -17.291 -17.140 -23.713 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -18.080 -18.720 -23.745 1.00 71.21 H new ATOM 1665 N ALA A 112 -20.801 -16.396 -19.029 1.00 65.35 N ATOM 1666 CA ALA A 112 -21.534 -15.210 -18.582 1.00 3.51 C ATOM 1667 C ALA A 112 -20.780 -13.925 -18.944 1.00 55.23 C ATOM 1668 O ALA A 112 -20.166 -13.304 -18.049 1.00 20.44 O ATOM 1669 CB ALA A 112 -21.796 -15.295 -17.078 1.00 24.13 C ATOM 1670 OXT ALA A 112 -20.795 -13.544 -20.131 1.00 0.00 O ATOM 0 H ALA A 112 -20.119 -16.745 -18.355 1.00 65.35 H new ATOM 0 HA ALA A 112 -22.493 -15.178 -19.099 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -22.342 -14.409 -16.753 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -22.387 -16.185 -16.861 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -20.846 -15.352 -16.546 1.00 24.13 H new