USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 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 36:sc= 0.0955 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 45 GLN : amide:sc=-0.00766 X(o=-0.0077,f=-0.0077) USER MOD Single : A 47 GLN : amide:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0.688 (180deg=0.651) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -65:sc= 0.0448 USER MOD Single : A 61 GLN : amide:sc= -0.0829 X(o=-0.083,f=-0.57) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.054 (180deg=-0.316) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= 1.37 (180deg=0.418) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 75:sc= 1.32 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= -0.361 X(o=-0.36,f=-0.0079) USER MOD ----------------------------------------------------------------- ATOM 557 N ARG A 38 -7.259 -12.862 -23.622 1.00 2.14 N ATOM 558 CA ARG A 38 -6.607 -11.670 -23.082 1.00 45.54 C ATOM 559 C ARG A 38 -5.970 -12.005 -21.735 1.00 2.05 C ATOM 560 O ARG A 38 -6.006 -13.156 -21.300 1.00 21.04 O ATOM 561 CB ARG A 38 -7.635 -10.535 -22.913 1.00 41.41 C ATOM 562 CG ARG A 38 -8.357 -10.136 -24.201 1.00 14.00 C ATOM 563 CD ARG A 38 -7.433 -9.426 -25.186 1.00 71.31 C ATOM 564 NE ARG A 38 -8.105 -9.133 -26.459 1.00 2.14 N ATOM 565 CZ ARG A 38 -8.742 -7.990 -26.735 1.00 52.02 C ATOM 566 NH1 ARG A 38 -8.832 -7.022 -25.829 1.00 34.34 N ATOM 567 NH2 ARG A 38 -9.299 -7.820 -27.930 1.00 41.24 N ATOM 0 HA ARG A 38 -5.833 -11.339 -23.774 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -8.377 -10.841 -22.175 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -7.127 -9.659 -22.510 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -8.772 -11.026 -24.673 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -9.196 -9.484 -23.958 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -7.076 -8.497 -24.742 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -6.557 -10.047 -25.373 1.00 71.31 H new ATOM 0 HE ARG A 38 -8.084 -9.851 -27.183 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -8.412 -7.145 -24.908 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -9.321 -6.156 -26.055 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -9.239 -8.559 -28.630 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -9.786 -6.950 -28.147 1.00 41.24 H new ATOM 581 N ARG A 39 -5.377 -11.002 -21.089 1.00 13.43 N ATOM 582 CA ARG A 39 -4.847 -11.127 -19.751 1.00 31.22 C ATOM 583 C ARG A 39 -5.973 -11.312 -18.733 1.00 12.54 C ATOM 584 O ARG A 39 -5.760 -11.762 -17.609 1.00 64.51 O ATOM 585 CB ARG A 39 -4.084 -9.841 -19.474 1.00 71.22 C ATOM 586 CG ARG A 39 -3.453 -9.767 -18.114 1.00 25.23 C ATOM 587 CD ARG A 39 -2.731 -8.451 -17.934 1.00 12.21 C ATOM 588 NE ARG A 39 -3.649 -7.338 -17.665 1.00 64.14 N ATOM 589 CZ ARG A 39 -3.540 -6.496 -16.631 1.00 40.21 C ATOM 590 NH1 ARG A 39 -2.544 -6.620 -15.762 1.00 72.51 N ATOM 591 NH2 ARG A 39 -4.425 -5.523 -16.474 1.00 72.23 N ATOM 0 H ARG A 39 -5.255 -10.073 -21.493 1.00 13.43 H new ATOM 0 HA ARG A 39 -4.200 -12.000 -19.667 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -3.305 -9.727 -20.228 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -4.765 -8.998 -19.590 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -4.218 -9.876 -17.346 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -2.753 -10.593 -17.986 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -2.021 -8.539 -17.111 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -2.153 -8.232 -18.832 1.00 12.21 H new ATOM 0 HE ARG A 39 -4.425 -7.196 -18.312 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -1.854 -7.362 -15.880 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -2.469 -5.973 -14.977 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -5.189 -5.416 -17.141 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -4.342 -4.881 -15.686 1.00 72.23 H new ATOM 605 N THR A 40 -7.171 -10.959 -19.157 1.00 21.32 N ATOM 606 CA THR A 40 -8.345 -10.971 -18.301 1.00 31.44 C ATOM 607 C THR A 40 -9.037 -12.331 -18.332 1.00 32.23 C ATOM 608 O THR A 40 -9.326 -12.873 -19.405 1.00 70.14 O ATOM 609 CB THR A 40 -9.341 -9.875 -18.744 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.647 -10.031 -20.139 1.00 2.42 O ATOM 611 CG2 THR A 40 -8.769 -8.480 -18.502 1.00 5.33 C ATOM 0 H THR A 40 -7.360 -10.653 -20.112 1.00 21.32 H new ATOM 0 HA THR A 40 -8.015 -10.773 -17.281 1.00 31.44 H new ATOM 0 HB THR A 40 -10.249 -9.983 -18.151 1.00 25.32 H new ATOM 0 HG1 THR A 40 -9.677 -10.985 -20.363 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.492 -7.730 -18.823 1.00 5.33 H new ATOM 0 HG22 THR A 40 -8.560 -8.352 -17.440 1.00 5.33 H new ATOM 0 HG23 THR A 40 -7.846 -8.362 -19.070 1.00 5.33 H new ATOM 619 N LEU A 41 -9.302 -12.881 -17.153 1.00 51.33 N ATOM 620 CA LEU A 41 -9.983 -14.162 -17.043 1.00 34.14 C ATOM 621 C LEU A 41 -11.488 -13.988 -17.206 1.00 43.22 C ATOM 622 O LEU A 41 -12.179 -13.589 -16.263 1.00 22.33 O ATOM 623 CB LEU A 41 -9.685 -14.844 -15.691 1.00 61.14 C ATOM 624 CG LEU A 41 -8.828 -16.117 -15.766 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.476 -15.823 -16.408 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.656 -16.728 -14.379 1.00 50.44 C ATOM 0 H LEU A 41 -9.054 -12.458 -16.259 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.606 -14.800 -17.843 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.181 -14.125 -15.045 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.632 -15.093 -15.213 1.00 61.14 H new ATOM 0 HG LEU A 41 -9.344 -16.843 -16.394 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.887 -16.739 -16.450 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.628 -15.442 -17.418 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.946 -15.078 -15.815 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -8.046 -17.629 -14.451 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -8.165 -16.009 -13.723 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -9.634 -16.983 -13.970 1.00 50.44 H new ATOM 638 N THR A 42 -11.986 -14.243 -18.404 1.00 31.45 N ATOM 639 CA THR A 42 -13.417 -14.394 -18.601 1.00 23.21 C ATOM 640 C THR A 42 -13.844 -15.731 -18.000 1.00 63.23 C ATOM 641 O THR A 42 -12.990 -16.564 -17.679 1.00 44.05 O ATOM 642 CB THR A 42 -13.813 -14.324 -20.103 1.00 20.41 C ATOM 643 OG1 THR A 42 -15.226 -14.524 -20.254 1.00 73.40 O ATOM 644 CG2 THR A 42 -13.066 -15.362 -20.932 1.00 34.51 C ATOM 0 H THR A 42 -11.425 -14.349 -19.249 1.00 31.45 H new ATOM 0 HA THR A 42 -13.929 -13.569 -18.105 1.00 23.21 H new ATOM 0 HB THR A 42 -13.539 -13.333 -20.466 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.464 -14.476 -21.204 1.00 73.40 H new ATOM 0 HG21 THR A 42 -13.370 -15.281 -21.976 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.993 -15.188 -20.852 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.300 -16.360 -20.562 1.00 34.51 H new ATOM 652 N GLU A 43 -15.143 -15.930 -17.844 1.00 15.15 N ATOM 653 CA GLU A 43 -15.683 -17.154 -17.252 1.00 71.31 C ATOM 654 C GLU A 43 -15.092 -18.404 -17.915 1.00 12.12 C ATOM 655 O GLU A 43 -14.826 -19.404 -17.247 1.00 32.21 O ATOM 656 CB GLU A 43 -17.219 -17.143 -17.356 1.00 43.41 C ATOM 657 CG GLU A 43 -17.938 -16.548 -16.142 1.00 4.44 C ATOM 658 CD GLU A 43 -17.142 -15.452 -15.448 1.00 44.01 C ATOM 659 OE1 GLU A 43 -16.974 -14.365 -16.034 1.00 43.34 O ATOM 660 OE2 GLU A 43 -16.670 -15.684 -14.312 1.00 20.13 O ATOM 0 H GLU A 43 -15.854 -15.254 -18.121 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.400 -17.187 -16.200 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.505 -16.579 -18.243 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.567 -18.166 -17.502 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -18.899 -16.144 -16.460 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -18.148 -17.343 -15.427 1.00 4.44 H new ATOM 667 N GLU A 44 -14.829 -18.310 -19.217 1.00 24.15 N ATOM 668 CA GLU A 44 -14.313 -19.438 -19.988 1.00 42.15 C ATOM 669 C GLU A 44 -12.898 -19.794 -19.534 1.00 51.42 C ATOM 670 O GLU A 44 -12.558 -20.965 -19.373 1.00 31.32 O ATOM 671 CB GLU A 44 -14.325 -19.094 -21.482 1.00 42.11 C ATOM 672 CG GLU A 44 -15.713 -18.760 -22.015 1.00 54.42 C ATOM 673 CD GLU A 44 -15.671 -18.248 -23.447 1.00 75.51 C ATOM 674 OE1 GLU A 44 -15.646 -19.080 -24.383 1.00 0.14 O ATOM 675 OE2 GLU A 44 -15.643 -17.014 -23.635 1.00 13.55 O ATOM 0 H GLU A 44 -14.966 -17.459 -19.762 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.953 -20.304 -19.819 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -13.663 -18.246 -21.657 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.921 -19.936 -22.044 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -16.342 -19.649 -21.967 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -16.175 -18.008 -21.375 1.00 54.42 H new ATOM 682 N GLN A 45 -12.089 -18.767 -19.303 1.00 31.04 N ATOM 683 CA GLN A 45 -10.722 -18.949 -18.825 1.00 14.15 C ATOM 684 C GLN A 45 -10.746 -19.537 -17.420 1.00 53.01 C ATOM 685 O GLN A 45 -9.849 -20.280 -17.029 1.00 14.13 O ATOM 686 CB GLN A 45 -9.981 -17.607 -18.822 1.00 51.21 C ATOM 687 CG GLN A 45 -10.017 -16.875 -20.155 1.00 30.54 C ATOM 688 CD GLN A 45 -9.279 -17.611 -21.257 1.00 41.25 C ATOM 689 OE1 GLN A 45 -9.873 -18.394 -21.993 1.00 64.40 O ATOM 690 NE2 GLN A 45 -7.979 -17.378 -21.369 1.00 1.34 N ATOM 0 H GLN A 45 -12.358 -17.793 -19.440 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.198 -19.635 -19.491 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.416 -16.966 -18.056 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.942 -17.779 -18.542 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -11.055 -16.729 -20.455 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.579 -15.885 -20.031 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -7.523 -16.720 -20.738 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.435 -17.857 -22.087 1.00 1.34 H new ATOM 699 N VAL A 46 -11.798 -19.213 -16.670 1.00 64.44 N ATOM 700 CA VAL A 46 -11.986 -19.766 -15.337 1.00 2.55 C ATOM 701 C VAL A 46 -12.258 -21.261 -15.457 1.00 12.42 C ATOM 702 O VAL A 46 -11.726 -22.076 -14.695 1.00 73.15 O ATOM 703 CB VAL A 46 -13.161 -19.068 -14.600 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.410 -19.701 -13.236 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.896 -17.568 -14.461 1.00 15.10 C ATOM 0 H VAL A 46 -12.532 -18.569 -16.966 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.081 -19.596 -14.753 1.00 2.55 H new ATOM 0 HB VAL A 46 -14.061 -19.204 -15.200 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.238 -19.191 -12.744 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.657 -20.755 -13.364 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.513 -19.610 -12.624 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.731 -17.098 -13.942 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.980 -17.412 -13.891 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.788 -17.124 -15.451 1.00 15.10 H new ATOM 715 N GLN A 47 -13.076 -21.604 -16.446 1.00 74.22 N ATOM 716 CA GLN A 47 -13.363 -22.996 -16.772 1.00 73.34 C ATOM 717 C GLN A 47 -12.094 -23.709 -17.217 1.00 25.01 C ATOM 718 O GLN A 47 -11.926 -24.896 -16.964 1.00 54.32 O ATOM 719 CB GLN A 47 -14.413 -23.075 -17.881 1.00 71.34 C ATOM 720 CG GLN A 47 -15.700 -22.339 -17.555 1.00 23.23 C ATOM 721 CD GLN A 47 -16.451 -22.939 -16.379 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.311 -24.121 -16.063 1.00 4.54 O ATOM 723 NE2 GLN A 47 -17.291 -22.135 -15.751 1.00 3.44 N ATOM 0 H GLN A 47 -13.556 -20.929 -17.041 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.750 -23.485 -15.878 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -13.992 -22.664 -18.798 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -14.643 -24.122 -18.078 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.469 -21.296 -17.337 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.347 -22.345 -18.432 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -17.379 -21.161 -16.042 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -17.851 -22.488 -14.975 1.00 3.44 H new ATOM 732 N GLU A 48 -11.209 -22.978 -17.889 1.00 35.04 N ATOM 733 CA GLU A 48 -9.918 -23.516 -18.287 1.00 64.51 C ATOM 734 C GLU A 48 -9.083 -23.847 -17.047 1.00 55.04 C ATOM 735 O GLU A 48 -8.553 -24.957 -16.920 1.00 73.40 O ATOM 736 CB GLU A 48 -9.186 -22.527 -19.218 1.00 43.20 C ATOM 737 CG GLU A 48 -7.682 -22.472 -19.001 1.00 42.23 C ATOM 738 CD GLU A 48 -6.922 -21.812 -20.141 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.423 -20.823 -20.709 1.00 52.21 O ATOM 740 OE2 GLU A 48 -5.819 -22.300 -20.486 1.00 51.14 O ATOM 0 H GLU A 48 -11.366 -22.010 -18.168 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.071 -24.440 -18.845 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.384 -22.804 -20.253 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -9.601 -21.530 -19.070 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.477 -21.930 -18.078 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.306 -23.486 -18.865 1.00 42.23 H new ATOM 747 N VAL A 49 -8.998 -22.890 -16.124 1.00 34.21 N ATOM 748 CA VAL A 49 -8.275 -23.094 -14.871 1.00 32.22 C ATOM 749 C VAL A 49 -8.765 -24.360 -14.178 1.00 34.13 C ATOM 750 O VAL A 49 -7.978 -25.259 -13.886 1.00 25.13 O ATOM 751 CB VAL A 49 -8.432 -21.887 -13.909 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.701 -22.137 -12.590 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.934 -20.598 -14.564 1.00 71.11 C ATOM 0 H VAL A 49 -9.421 -21.967 -16.221 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.219 -23.194 -15.121 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.494 -21.771 -13.691 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.828 -21.275 -11.935 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.113 -23.023 -12.108 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.640 -22.291 -12.786 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -8.055 -19.767 -13.869 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.880 -20.705 -14.822 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.511 -20.403 -15.468 1.00 71.11 H new ATOM 763 N VAL A 50 -10.071 -24.447 -13.950 1.00 60.22 N ATOM 764 CA VAL A 50 -10.636 -25.619 -13.295 1.00 11.40 C ATOM 765 C VAL A 50 -10.525 -26.857 -14.174 1.00 72.34 C ATOM 766 O VAL A 50 -10.426 -27.967 -13.665 1.00 53.42 O ATOM 767 CB VAL A 50 -12.100 -25.407 -12.848 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.154 -24.409 -11.699 1.00 15.52 C ATOM 769 CG2 VAL A 50 -12.981 -24.954 -14.007 1.00 15.52 C ATOM 0 H VAL A 50 -10.750 -23.730 -14.205 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.042 -25.776 -12.395 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.492 -26.363 -12.502 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.189 -24.265 -11.390 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -11.574 -24.790 -10.858 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -11.737 -23.456 -12.025 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -14.003 -24.815 -13.655 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.603 -24.012 -14.405 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -12.967 -25.710 -14.792 1.00 15.52 H new ATOM 779 N ALA A 51 -10.517 -26.665 -15.487 1.00 31.45 N ATOM 780 CA ALA A 51 -10.323 -27.777 -16.418 1.00 42.34 C ATOM 781 C ALA A 51 -8.961 -28.424 -16.180 1.00 31.41 C ATOM 782 O ALA A 51 -8.800 -29.639 -16.319 1.00 25.24 O ATOM 783 CB ALA A 51 -10.455 -27.311 -17.863 1.00 44.10 C ATOM 0 H ALA A 51 -10.642 -25.756 -15.933 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.101 -28.519 -16.238 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.306 -28.158 -18.533 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.449 -26.893 -18.021 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -9.704 -26.548 -18.069 1.00 44.10 H new ATOM 789 N LYS A 52 -7.977 -27.601 -15.827 1.00 53.45 N ATOM 790 CA LYS A 52 -6.672 -28.111 -15.402 1.00 42.14 C ATOM 791 C LYS A 52 -6.814 -28.749 -14.012 1.00 3.33 C ATOM 792 O LYS A 52 -6.437 -29.904 -13.789 1.00 33.40 O ATOM 793 CB LYS A 52 -5.630 -26.973 -15.353 1.00 40.33 C ATOM 794 CG LYS A 52 -5.688 -26.000 -16.534 1.00 30.34 C ATOM 795 CD LYS A 52 -5.373 -26.664 -17.875 1.00 44.14 C ATOM 796 CE LYS A 52 -5.588 -25.700 -19.045 1.00 31.32 C ATOM 797 NZ LYS A 52 -4.738 -24.477 -18.948 1.00 11.24 N ATOM 0 H LYS A 52 -8.055 -26.584 -15.826 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.329 -28.856 -16.120 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -5.769 -26.411 -14.430 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -4.634 -27.413 -15.311 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -6.681 -25.554 -16.581 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -4.982 -25.188 -16.363 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -4.340 -27.013 -17.875 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -6.006 -27.542 -18.005 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -5.370 -26.216 -19.980 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -6.637 -25.406 -19.080 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -4.984 -23.822 -19.717 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -4.901 -24.013 -18.032 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -3.736 -24.744 -19.027 1.00 11.24 H new ATOM 811 N LEU A 53 -7.419 -27.987 -13.104 1.00 5.45 N ATOM 812 CA LEU A 53 -7.554 -28.369 -11.694 1.00 72.44 C ATOM 813 C LEU A 53 -8.492 -29.561 -11.493 1.00 43.14 C ATOM 814 O LEU A 53 -8.553 -30.121 -10.398 1.00 30.51 O ATOM 815 CB LEU A 53 -8.042 -27.165 -10.869 1.00 61.32 C ATOM 816 CG LEU A 53 -6.943 -26.205 -10.388 1.00 62.23 C ATOM 817 CD1 LEU A 53 -6.083 -26.867 -9.316 1.00 3.31 C ATOM 818 CD2 LEU A 53 -6.085 -25.747 -11.554 1.00 15.34 C ATOM 0 H LEU A 53 -7.833 -27.081 -13.324 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.568 -28.679 -11.348 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -8.756 -26.601 -11.469 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.581 -27.538 -9.998 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.422 -25.329 -9.950 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -5.311 -26.171 -8.988 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -6.708 -27.142 -8.466 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -5.615 -27.762 -9.726 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.313 -25.068 -11.193 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.617 -26.612 -12.023 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -6.709 -25.231 -12.284 1.00 15.34 H new ATOM 830 N THR A 54 -9.225 -29.953 -12.533 1.00 2.31 N ATOM 831 CA THR A 54 -10.077 -31.139 -12.442 1.00 74.25 C ATOM 832 C THR A 54 -9.233 -32.409 -12.517 1.00 12.24 C ATOM 833 O THR A 54 -9.747 -33.520 -12.364 1.00 11.50 O ATOM 834 CB THR A 54 -11.176 -31.168 -13.539 1.00 54.25 C ATOM 835 OG1 THR A 54 -10.625 -30.811 -14.811 1.00 2.43 O ATOM 836 CG2 THR A 54 -12.333 -30.231 -13.192 1.00 33.32 C ATOM 0 H THR A 54 -9.248 -29.477 -13.435 1.00 2.31 H new ATOM 0 HA THR A 54 -10.582 -31.092 -11.477 1.00 74.25 H new ATOM 0 HB THR A 54 -11.564 -32.185 -13.591 1.00 54.25 H new ATOM 0 HG1 THR A 54 -11.330 -30.835 -15.491 1.00 2.43 H new ATOM 0 HG21 THR A 54 -13.085 -30.275 -13.980 1.00 33.32 H new ATOM 0 HG22 THR A 54 -12.779 -30.539 -12.246 1.00 33.32 H new ATOM 0 HG23 THR A 54 -11.960 -29.211 -13.102 1.00 33.32 H new ATOM 844 N ASP A 55 -7.930 -32.241 -12.756 1.00 13.25 N ATOM 845 CA ASP A 55 -6.984 -33.346 -12.660 1.00 1.54 C ATOM 846 C ASP A 55 -5.888 -32.993 -11.649 1.00 20.51 C ATOM 847 O ASP A 55 -4.800 -32.554 -12.029 1.00 75.23 O ATOM 848 CB ASP A 55 -6.373 -33.678 -14.032 1.00 3.22 C ATOM 849 CG ASP A 55 -5.664 -35.027 -14.035 1.00 40.30 C ATOM 850 OD1 ASP A 55 -6.353 -36.059 -14.190 1.00 74.12 O ATOM 851 OD2 ASP A 55 -4.424 -35.069 -13.883 1.00 52.23 O ATOM 0 H ASP A 55 -7.510 -31.349 -13.017 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.516 -34.233 -12.318 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -7.159 -33.681 -14.787 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -5.666 -32.897 -14.311 1.00 3.22 H new ATOM 856 N PRO A 56 -6.173 -33.154 -10.338 1.00 62.43 N ATOM 857 CA PRO A 56 -5.212 -32.825 -9.268 1.00 43.13 C ATOM 858 C PRO A 56 -3.946 -33.670 -9.375 1.00 2.34 C ATOM 859 O PRO A 56 -2.898 -33.322 -8.826 1.00 53.10 O ATOM 860 CB PRO A 56 -5.983 -33.143 -7.973 1.00 74.10 C ATOM 861 CG PRO A 56 -7.071 -34.078 -8.395 1.00 74.41 C ATOM 862 CD PRO A 56 -7.443 -33.667 -9.793 1.00 55.11 C ATOM 0 HA PRO A 56 -4.873 -31.790 -9.316 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -5.333 -33.603 -7.229 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -6.392 -32.238 -7.524 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -6.730 -35.113 -8.369 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.928 -34.008 -7.725 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -7.821 -34.509 -10.374 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -8.221 -32.903 -9.796 1.00 55.11 H new ATOM 870 N GLU A 57 -4.064 -34.781 -10.093 1.00 53.21 N ATOM 871 CA GLU A 57 -2.939 -35.661 -10.365 1.00 31.20 C ATOM 872 C GLU A 57 -1.868 -34.899 -11.148 1.00 11.32 C ATOM 873 O GLU A 57 -0.672 -35.048 -10.895 1.00 40.10 O ATOM 874 CB GLU A 57 -3.430 -36.888 -11.150 1.00 11.23 C ATOM 875 CG GLU A 57 -2.357 -37.935 -11.441 1.00 74.52 C ATOM 876 CD GLU A 57 -2.908 -39.129 -12.213 1.00 43.42 C ATOM 877 OE1 GLU A 57 -3.272 -38.963 -13.394 1.00 15.41 O ATOM 878 OE2 GLU A 57 -3.004 -40.234 -11.637 1.00 10.41 O ATOM 0 H GLU A 57 -4.944 -35.095 -10.502 1.00 53.21 H new ATOM 0 HA GLU A 57 -2.498 -36.003 -9.429 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -4.236 -37.361 -10.590 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -3.854 -36.551 -12.096 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -1.550 -37.476 -12.013 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -1.925 -38.280 -10.502 1.00 74.52 H new ATOM 885 N SER A 58 -2.314 -34.071 -12.092 1.00 43.04 N ATOM 886 CA SER A 58 -1.411 -33.233 -12.873 1.00 14.11 C ATOM 887 C SER A 58 -0.791 -32.154 -11.985 1.00 64.34 C ATOM 888 O SER A 58 0.431 -32.002 -11.945 1.00 15.34 O ATOM 889 CB SER A 58 -2.157 -32.599 -14.055 1.00 53.34 C ATOM 890 OG SER A 58 -1.267 -31.901 -14.914 1.00 0.11 O ATOM 0 H SER A 58 -3.299 -33.964 -12.333 1.00 43.04 H new ATOM 0 HA SER A 58 -0.610 -33.857 -13.269 1.00 14.11 H new ATOM 0 HB2 SER A 58 -2.676 -33.375 -14.618 1.00 53.34 H new ATOM 0 HB3 SER A 58 -2.918 -31.913 -13.682 1.00 53.34 H new ATOM 0 HG SER A 58 -1.770 -31.509 -15.658 1.00 0.11 H new ATOM 896 N SER A 59 -1.640 -31.431 -11.251 1.00 11.31 N ATOM 897 CA SER A 59 -1.194 -30.337 -10.390 1.00 64.13 C ATOM 898 C SER A 59 -0.074 -30.794 -9.455 1.00 74.10 C ATOM 899 O SER A 59 1.013 -30.213 -9.437 1.00 53.43 O ATOM 900 CB SER A 59 -2.371 -29.805 -9.568 1.00 5.10 C ATOM 901 OG SER A 59 -3.462 -29.450 -10.397 1.00 31.55 O ATOM 0 H SER A 59 -2.648 -31.587 -11.237 1.00 11.31 H new ATOM 0 HA SER A 59 -0.806 -29.541 -11.026 1.00 64.13 H new ATOM 0 HB2 SER A 59 -2.688 -30.563 -8.851 1.00 5.10 H new ATOM 0 HB3 SER A 59 -2.052 -28.936 -8.993 1.00 5.10 H new ATOM 0 HG SER A 59 -3.205 -28.700 -10.973 1.00 31.55 H new ATOM 907 N ALA A 60 -0.339 -31.877 -8.725 1.00 52.35 N ATOM 908 CA ALA A 60 0.606 -32.417 -7.751 1.00 44.05 C ATOM 909 C ALA A 60 1.935 -32.805 -8.399 1.00 65.01 C ATOM 910 O ALA A 60 2.940 -32.985 -7.709 1.00 55.43 O ATOM 911 CB ALA A 60 -0.010 -33.617 -7.039 1.00 33.33 C ATOM 0 H ALA A 60 -1.211 -32.402 -8.792 1.00 52.35 H new ATOM 0 HA ALA A 60 0.818 -31.634 -7.023 1.00 44.05 H new ATOM 0 HB1 ALA A 60 0.701 -34.014 -6.314 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -0.919 -33.307 -6.524 1.00 33.33 H new ATOM 0 HB3 ALA A 60 -0.252 -34.389 -7.770 1.00 33.33 H new ATOM 917 N GLN A 61 1.942 -32.944 -9.721 1.00 51.35 N ATOM 918 CA GLN A 61 3.159 -33.293 -10.449 1.00 31.01 C ATOM 919 C GLN A 61 3.794 -32.052 -11.078 1.00 42.21 C ATOM 920 O GLN A 61 5.004 -32.014 -11.314 1.00 61.11 O ATOM 921 CB GLN A 61 2.850 -34.343 -11.527 1.00 62.35 C ATOM 922 CG GLN A 61 4.078 -34.813 -12.302 1.00 12.53 C ATOM 923 CD GLN A 61 5.154 -35.403 -11.402 1.00 33.44 C ATOM 924 OE1 GLN A 61 4.862 -35.992 -10.359 1.00 35.13 O ATOM 925 NE2 GLN A 61 6.404 -35.238 -11.798 1.00 62.21 N ATOM 0 H GLN A 61 1.119 -32.820 -10.311 1.00 51.35 H new ATOM 0 HA GLN A 61 3.872 -33.716 -9.741 1.00 31.01 H new ATOM 0 HB2 GLN A 61 2.378 -35.205 -11.056 1.00 62.35 H new ATOM 0 HB3 GLN A 61 2.127 -33.927 -12.229 1.00 62.35 H new ATOM 0 HG2 GLN A 61 3.775 -35.560 -13.036 1.00 12.53 H new ATOM 0 HG3 GLN A 61 4.495 -33.973 -12.857 1.00 12.53 H new ATOM 0 HE21 GLN A 61 6.602 -34.744 -12.668 1.00 62.21 H new ATOM 0 HE22 GLN A 61 7.170 -35.604 -11.233 1.00 62.21 H new ATOM 934 N ILE A 62 2.977 -31.032 -11.335 1.00 4.23 N ATOM 935 CA ILE A 62 3.463 -29.783 -11.920 1.00 32.12 C ATOM 936 C ILE A 62 4.330 -29.015 -10.925 1.00 0.54 C ATOM 937 O ILE A 62 5.417 -28.540 -11.269 1.00 12.44 O ATOM 938 CB ILE A 62 2.295 -28.885 -12.413 1.00 60.44 C ATOM 939 CG1 ILE A 62 1.538 -29.583 -13.558 1.00 42.11 C ATOM 940 CG2 ILE A 62 2.813 -27.517 -12.865 1.00 4.10 C ATOM 941 CD1 ILE A 62 0.393 -28.778 -14.138 1.00 43.34 C ATOM 0 H ILE A 62 1.975 -31.046 -11.147 1.00 4.23 H new ATOM 0 HA ILE A 62 4.071 -30.050 -12.784 1.00 32.12 H new ATOM 0 HB ILE A 62 1.606 -28.727 -11.583 1.00 60.44 H new ATOM 0 HG12 ILE A 62 2.244 -29.813 -14.356 1.00 42.11 H new ATOM 0 HG13 ILE A 62 1.149 -30.533 -13.193 1.00 42.11 H new ATOM 0 HG21 ILE A 62 1.977 -26.906 -13.206 1.00 4.10 H new ATOM 0 HG22 ILE A 62 3.308 -27.021 -12.030 1.00 4.10 H new ATOM 0 HG23 ILE A 62 3.523 -27.648 -13.682 1.00 4.10 H new ATOM 0 HD11 ILE A 62 -0.083 -29.346 -14.938 1.00 43.34 H new ATOM 0 HD12 ILE A 62 -0.338 -28.570 -13.357 1.00 43.34 H new ATOM 0 HD13 ILE A 62 0.775 -27.838 -14.538 1.00 43.34 H new ATOM 953 N ASP A 63 3.848 -28.896 -9.692 1.00 4.21 N ATOM 954 CA ASP A 63 4.582 -28.185 -8.639 1.00 24.12 C ATOM 955 C ASP A 63 5.253 -29.164 -7.675 1.00 32.11 C ATOM 956 O ASP A 63 6.104 -28.772 -6.874 1.00 51.03 O ATOM 957 CB ASP A 63 3.650 -27.233 -7.870 1.00 63.41 C ATOM 958 CG ASP A 63 2.338 -27.882 -7.455 1.00 3.22 C ATOM 959 OD1 ASP A 63 2.362 -29.038 -6.982 1.00 1.22 O ATOM 960 OD2 ASP A 63 1.278 -27.235 -7.615 1.00 51.45 O ATOM 0 H ASP A 63 2.952 -29.281 -9.393 1.00 4.21 H new ATOM 0 HA ASP A 63 5.361 -27.594 -9.121 1.00 24.12 H new ATOM 0 HB2 ASP A 63 4.166 -26.870 -6.981 1.00 63.41 H new ATOM 0 HB3 ASP A 63 3.437 -26.363 -8.492 1.00 63.41 H new ATOM 965 N GLY A 64 4.856 -30.433 -7.744 1.00 4.34 N ATOM 966 CA GLY A 64 5.507 -31.470 -6.958 1.00 4.15 C ATOM 967 C GLY A 64 4.986 -31.555 -5.533 1.00 21.32 C ATOM 968 O GLY A 64 5.477 -32.360 -4.736 1.00 74.55 O ATOM 0 H GLY A 64 4.091 -30.763 -8.333 1.00 4.34 H new ATOM 0 HA2 GLY A 64 5.364 -32.433 -7.449 1.00 4.15 H new ATOM 0 HA3 GLY A 64 6.580 -31.280 -6.935 1.00 4.15 H new ATOM 972 N VAL A 65 3.990 -30.733 -5.214 1.00 53.23 N ATOM 973 CA VAL A 65 3.393 -30.702 -3.881 1.00 5.12 C ATOM 974 C VAL A 65 2.066 -29.939 -3.921 1.00 22.24 C ATOM 975 O VAL A 65 2.037 -28.727 -4.136 1.00 34.45 O ATOM 976 CB VAL A 65 4.351 -30.073 -2.826 1.00 20.52 C ATOM 977 CG1 VAL A 65 4.849 -28.696 -3.272 1.00 63.22 C ATOM 978 CG2 VAL A 65 3.676 -30.002 -1.455 1.00 11.54 C ATOM 0 H VAL A 65 3.575 -30.071 -5.870 1.00 53.23 H new ATOM 0 HA VAL A 65 3.209 -31.732 -3.575 1.00 5.12 H new ATOM 0 HB VAL A 65 5.224 -30.720 -2.739 1.00 20.52 H new ATOM 0 HG11 VAL A 65 5.515 -28.286 -2.512 1.00 63.22 H new ATOM 0 HG12 VAL A 65 5.389 -28.792 -4.214 1.00 63.22 H new ATOM 0 HG13 VAL A 65 3.999 -28.028 -3.407 1.00 63.22 H new ATOM 0 HG21 VAL A 65 4.363 -29.560 -0.734 1.00 11.54 H new ATOM 0 HG22 VAL A 65 2.777 -29.389 -1.523 1.00 11.54 H new ATOM 0 HG23 VAL A 65 3.406 -31.007 -1.130 1.00 11.54 H new ATOM 988 N VAL A 66 0.970 -30.659 -3.711 1.00 30.32 N ATOM 989 CA VAL A 66 -0.366 -30.092 -3.875 1.00 1.42 C ATOM 990 C VAL A 66 -0.801 -29.308 -2.630 1.00 32.13 C ATOM 991 O VAL A 66 -0.796 -29.830 -1.509 1.00 51.15 O ATOM 992 CB VAL A 66 -1.403 -31.199 -4.206 1.00 14.41 C ATOM 993 CG1 VAL A 66 -1.409 -32.290 -3.136 1.00 5.23 C ATOM 994 CG2 VAL A 66 -2.798 -30.606 -4.391 1.00 34.45 C ATOM 0 H VAL A 66 0.979 -31.638 -3.426 1.00 30.32 H new ATOM 0 HA VAL A 66 -0.323 -29.396 -4.713 1.00 1.42 H new ATOM 0 HB VAL A 66 -1.106 -31.660 -5.148 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -2.145 -33.051 -3.396 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -0.421 -32.747 -3.076 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -1.665 -31.852 -2.171 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -3.505 -31.403 -4.622 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -3.105 -30.104 -3.473 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -2.782 -29.887 -5.210 1.00 34.45 H new ATOM 1004 N SER A 67 -1.126 -28.033 -2.833 1.00 53.53 N ATOM 1005 CA SER A 67 -1.615 -27.158 -1.773 1.00 63.30 C ATOM 1006 C SER A 67 -2.644 -26.174 -2.343 1.00 25.11 C ATOM 1007 O SER A 67 -2.643 -25.909 -3.537 1.00 45.11 O ATOM 1008 CB SER A 67 -0.444 -26.409 -1.128 1.00 44.10 C ATOM 1009 OG SER A 67 0.475 -27.311 -0.526 1.00 1.41 O ATOM 0 H SER A 67 -1.057 -27.577 -3.743 1.00 53.53 H new ATOM 0 HA SER A 67 -2.101 -27.760 -1.005 1.00 63.30 H new ATOM 0 HB2 SER A 67 0.069 -25.813 -1.882 1.00 44.10 H new ATOM 0 HB3 SER A 67 -0.822 -25.716 -0.377 1.00 44.10 H new ATOM 0 HG SER A 67 1.213 -26.807 -0.124 1.00 1.41 H new ATOM 1015 N LYS A 68 -3.491 -25.611 -1.478 1.00 41.35 N ATOM 1016 CA LYS A 68 -4.637 -24.795 -1.919 1.00 53.40 C ATOM 1017 C LYS A 68 -4.220 -23.602 -2.789 1.00 61.41 C ATOM 1018 O LYS A 68 -5.001 -23.131 -3.620 1.00 72.23 O ATOM 1019 CB LYS A 68 -5.458 -24.305 -0.712 1.00 10.32 C ATOM 1020 CG LYS A 68 -6.367 -25.374 -0.102 1.00 71.13 C ATOM 1021 CD LYS A 68 -5.587 -26.547 0.493 1.00 22.42 C ATOM 1022 CE LYS A 68 -4.794 -26.141 1.729 1.00 22.41 C ATOM 1023 NZ LYS A 68 -5.681 -25.669 2.823 1.00 5.02 N ATOM 0 H LYS A 68 -3.409 -25.702 -0.465 1.00 41.35 H new ATOM 0 HA LYS A 68 -5.256 -25.445 -2.538 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -4.775 -23.942 0.056 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -6.069 -23.457 -1.021 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -6.982 -24.921 0.676 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -7.046 -25.747 -0.868 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -6.280 -27.347 0.754 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -4.906 -26.947 -0.258 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -4.206 -26.990 2.078 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -4.090 -25.352 1.466 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -5.148 -25.644 3.716 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -6.028 -24.714 2.601 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -6.488 -26.317 2.920 1.00 5.02 H new ATOM 1037 N ASP A 69 -2.993 -23.123 -2.606 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.481 -21.988 -3.383 1.00 73.13 C ATOM 1039 C ASP A 69 -2.419 -22.321 -4.875 1.00 2.11 C ATOM 1040 O ASP A 69 -2.330 -21.421 -5.714 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.104 -21.532 -2.870 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.056 -22.635 -2.888 1.00 33.44 C ATOM 1043 OD1 ASP A 69 0.036 -23.382 -1.893 1.00 53.11 O ATOM 1044 OD2 ASP A 69 0.694 -22.748 -3.882 1.00 3.03 O ATOM 0 H ASP A 69 -2.331 -23.500 -1.927 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.179 -21.162 -3.249 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.755 -20.699 -3.481 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -1.210 -21.158 -1.852 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.485 -23.615 -5.197 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.402 -24.092 -6.580 1.00 21.21 C ATOM 1051 C GLU A 70 -3.424 -23.379 -7.470 1.00 20.22 C ATOM 1052 O GLU A 70 -3.142 -23.084 -8.631 1.00 62.31 O ATOM 1053 CB GLU A 70 -2.634 -25.610 -6.631 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.047 -26.025 -6.223 1.00 54.45 C ATOM 1055 CD GLU A 70 -4.207 -27.529 -6.073 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -4.078 -28.255 -7.080 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -4.487 -27.988 -4.944 1.00 33.23 O ATOM 0 H GLU A 70 -2.597 -24.360 -4.509 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.404 -23.867 -6.956 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -2.437 -25.966 -7.642 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -1.916 -26.102 -5.975 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.303 -25.543 -5.280 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -4.755 -25.663 -6.968 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.601 -23.082 -6.911 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.643 -22.371 -7.651 1.00 21.42 C ATOM 1066 C ILE A 71 -5.086 -21.062 -8.205 1.00 5.33 C ATOM 1067 O ILE A 71 -5.155 -20.799 -9.409 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.878 -22.063 -6.759 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.564 -23.362 -6.292 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.870 -21.163 -7.501 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.718 -23.134 -5.335 1.00 41.44 C ATOM 0 H ILE A 71 -4.854 -23.322 -5.952 1.00 21.23 H new ATOM 0 HA ILE A 71 -5.965 -23.019 -8.467 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.528 -21.532 -5.874 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -7.929 -23.903 -7.165 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.824 -23.999 -5.809 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.727 -20.959 -6.859 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.383 -20.224 -7.764 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.207 -21.664 -8.409 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -9.150 -24.094 -5.051 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.356 -22.621 -4.444 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.479 -22.523 -5.821 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.503 -20.265 -7.314 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.948 -18.962 -7.676 1.00 53.51 C ATOM 1085 C GLU A 72 -2.861 -19.132 -8.737 1.00 55.15 C ATOM 1086 O GLU A 72 -2.761 -18.343 -9.686 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.371 -18.268 -6.428 1.00 52.51 C ATOM 1088 CG GLU A 72 -4.272 -18.374 -5.200 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.848 -17.463 -4.058 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -2.721 -17.625 -3.543 1.00 15.35 O ATOM 1091 OE2 GLU A 72 -4.640 -16.575 -3.669 1.00 52.10 O ATOM 0 H GLU A 72 -4.402 -20.501 -6.327 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.744 -18.340 -8.086 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.400 -18.705 -6.195 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -3.200 -17.215 -6.654 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -5.295 -18.132 -5.487 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.275 -19.406 -4.849 1.00 33.15 H new ATOM 1098 N LYS A 73 -2.067 -20.190 -8.576 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.955 -20.469 -9.479 1.00 45.24 C ATOM 1100 C LYS A 73 -1.463 -20.742 -10.892 1.00 24.45 C ATOM 1101 O LYS A 73 -0.954 -20.177 -11.866 1.00 4.23 O ATOM 1102 CB LYS A 73 -0.135 -21.665 -8.974 1.00 73.41 C ATOM 1103 CG LYS A 73 0.269 -21.557 -7.505 1.00 61.01 C ATOM 1104 CD LYS A 73 1.016 -20.261 -7.201 1.00 25.10 C ATOM 1105 CE LYS A 73 1.326 -20.123 -5.713 1.00 44.05 C ATOM 1106 NZ LYS A 73 2.072 -18.871 -5.418 1.00 4.13 N ATOM 0 H LYS A 73 -2.176 -20.870 -7.824 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.312 -19.590 -9.504 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.714 -22.577 -9.116 1.00 73.41 H new ATOM 0 HB3 LYS A 73 0.764 -21.761 -9.583 1.00 73.41 H new ATOM 0 HG2 LYS A 73 -0.623 -21.614 -6.881 1.00 61.01 H new ATOM 0 HG3 LYS A 73 0.899 -22.407 -7.241 1.00 61.01 H new ATOM 0 HD2 LYS A 73 1.945 -20.235 -7.770 1.00 25.10 H new ATOM 0 HD3 LYS A 73 0.418 -19.411 -7.528 1.00 25.10 H new ATOM 0 HE2 LYS A 73 0.396 -20.134 -5.145 1.00 44.05 H new ATOM 0 HE3 LYS A 73 1.911 -20.981 -5.383 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 2.264 -18.813 -4.397 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 2.972 -18.872 -5.940 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 1.503 -18.051 -5.710 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.480 -21.589 -11.003 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.042 -21.938 -12.299 1.00 22.20 C ATOM 1122 C PHE A 74 -3.815 -20.767 -12.903 1.00 73.02 C ATOM 1123 O PHE A 74 -3.928 -20.658 -14.123 1.00 45.14 O ATOM 1124 CB PHE A 74 -3.920 -23.182 -12.177 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.130 -24.470 -12.142 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.676 -24.998 -10.940 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -2.844 -25.158 -13.317 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -1.960 -26.178 -10.908 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -2.126 -26.338 -13.287 1.00 73.32 C ATOM 1130 CZ PHE A 74 -1.684 -26.848 -12.083 1.00 62.40 C ATOM 0 H PHE A 74 -2.931 -22.046 -10.210 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.221 -22.165 -12.979 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.520 -23.107 -11.270 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.614 -23.212 -13.017 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.886 -24.478 -10.017 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -3.187 -24.765 -14.263 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.616 -26.576 -9.965 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -1.910 -26.862 -14.207 1.00 73.32 H new ATOM 0 HZ PHE A 74 -1.123 -27.770 -12.060 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.348 -19.894 -12.049 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.990 -18.676 -12.529 1.00 31.44 C ATOM 1142 C ILE A 75 -3.964 -17.784 -13.232 1.00 22.43 C ATOM 1143 O ILE A 75 -4.153 -17.383 -14.389 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.647 -17.894 -11.359 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.844 -18.678 -10.804 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -6.076 -16.497 -11.804 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.508 -18.022 -9.613 1.00 30.54 C ATOM 0 H ILE A 75 -4.348 -20.007 -11.035 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.770 -18.961 -13.236 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.907 -17.778 -10.567 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.582 -18.803 -11.596 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.511 -19.676 -10.518 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.533 -15.972 -10.965 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -5.204 -15.941 -12.148 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.798 -16.580 -12.617 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.344 -18.636 -9.279 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.785 -17.921 -8.803 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.873 -17.035 -9.898 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.845 -17.534 -12.552 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.771 -16.710 -13.110 1.00 4.04 C ATOM 1161 C ALA A 76 -1.221 -17.348 -14.384 1.00 21.11 C ATOM 1162 O ALA A 76 -0.772 -16.656 -15.300 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.661 -16.518 -12.083 1.00 5.44 C ATOM 0 H ALA A 76 -2.658 -17.890 -11.614 1.00 52.44 H new ATOM 0 HA ALA A 76 -2.178 -15.731 -13.363 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.130 -15.903 -12.513 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -1.065 -16.024 -11.199 1.00 5.44 H new ATOM 0 HB3 ALA A 76 -0.254 -17.489 -11.802 1.00 5.44 H new ATOM 1169 N ASP A 77 -1.297 -18.675 -14.428 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.821 -19.466 -15.561 1.00 42.01 C ATOM 1171 C ASP A 77 -1.548 -19.083 -16.852 1.00 61.43 C ATOM 1172 O ASP A 77 -1.007 -19.241 -17.948 1.00 2.14 O ATOM 1173 CB ASP A 77 -1.018 -20.962 -15.265 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.483 -21.867 -16.363 1.00 43.21 C ATOM 1175 OD1 ASP A 77 0.752 -21.918 -16.547 1.00 31.32 O ATOM 1176 OD2 ASP A 77 -1.295 -22.533 -17.045 1.00 14.33 O ATOM 0 H ASP A 77 -1.693 -19.236 -13.674 1.00 61.03 H new ATOM 0 HA ASP A 77 0.240 -19.259 -15.703 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.521 -21.208 -14.326 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -2.081 -21.161 -15.125 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.767 -18.547 -16.719 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.593 -18.203 -17.880 1.00 54.41 C ATOM 1183 C VAL A 78 -3.385 -16.733 -18.273 1.00 22.23 C ATOM 1184 O VAL A 78 -4.303 -16.058 -18.744 1.00 42.11 O ATOM 1185 CB VAL A 78 -5.091 -18.478 -17.583 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.936 -18.403 -18.857 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.259 -19.836 -16.902 1.00 24.11 C ATOM 0 H VAL A 78 -3.202 -18.343 -15.819 1.00 0.21 H new ATOM 0 HA VAL A 78 -3.286 -18.830 -18.717 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.447 -17.702 -16.905 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.980 -18.601 -18.613 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.847 -17.409 -19.294 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.583 -19.146 -19.572 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.315 -20.014 -16.700 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.877 -20.620 -17.555 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.704 -19.844 -15.964 1.00 24.11 H new ATOM 1197 N THR A 79 -2.157 -16.253 -18.080 1.00 30.41 N ATOM 1198 CA THR A 79 -1.774 -14.878 -18.423 1.00 54.12 C ATOM 1199 C THR A 79 -2.553 -13.858 -17.584 1.00 71.50 C ATOM 1200 O THR A 79 -2.568 -12.668 -17.890 1.00 33.50 O ATOM 1201 CB THR A 79 -2.007 -14.588 -19.935 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.568 -15.709 -20.722 1.00 53.21 O ATOM 1203 CG2 THR A 79 -1.252 -13.342 -20.394 1.00 22.22 C ATOM 0 H THR A 79 -1.397 -16.804 -17.681 1.00 30.41 H new ATOM 0 HA THR A 79 -0.711 -14.779 -18.203 1.00 54.12 H new ATOM 0 HB THR A 79 -3.075 -14.419 -20.074 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.719 -15.521 -21.672 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.440 -13.173 -21.454 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.593 -12.479 -19.823 1.00 22.22 H new ATOM 0 HG23 THR A 79 -0.183 -13.484 -20.233 1.00 22.22 H new ATOM 1211 N LYS A 80 -3.161 -14.325 -16.494 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.974 -13.455 -15.648 1.00 2.22 C ATOM 1213 C LYS A 80 -3.098 -12.416 -14.962 1.00 73.41 C ATOM 1214 O LYS A 80 -3.505 -11.264 -14.804 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.752 -14.272 -14.607 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.726 -13.443 -13.766 1.00 21.24 C ATOM 1217 CD LYS A 80 -6.654 -12.600 -14.640 1.00 33.52 C ATOM 1218 CE LYS A 80 -7.774 -11.947 -13.837 1.00 30.34 C ATOM 1219 NZ LYS A 80 -7.262 -11.141 -12.696 1.00 71.14 N ATOM 0 H LYS A 80 -3.106 -15.293 -16.178 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.696 -12.941 -16.283 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -5.308 -15.058 -15.118 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -4.042 -14.764 -13.942 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -6.321 -14.107 -13.139 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -5.165 -12.791 -13.097 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -6.073 -11.827 -15.143 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -7.087 -13.229 -15.418 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -8.363 -11.307 -14.494 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -8.444 -12.719 -13.460 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.768 -11.408 -11.828 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -6.245 -11.321 -12.573 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -7.414 -10.130 -12.889 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.893 -12.841 -14.564 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.910 -11.976 -13.899 1.00 70.42 C ATOM 1235 C ASP A 81 -1.338 -11.644 -12.470 1.00 63.31 C ATOM 1236 O ASP A 81 -0.576 -11.852 -11.520 1.00 51.31 O ATOM 1237 CB ASP A 81 -0.680 -10.685 -14.698 1.00 15.35 C ATOM 1238 CG ASP A 81 0.382 -9.792 -14.082 1.00 71.41 C ATOM 1239 OD1 ASP A 81 1.584 -10.064 -14.280 1.00 53.32 O ATOM 1240 OD2 ASP A 81 0.025 -8.806 -13.407 1.00 21.22 O ATOM 0 H ASP A 81 -1.570 -13.800 -14.695 1.00 15.43 H new ATOM 0 HA ASP A 81 0.029 -12.527 -13.854 1.00 70.42 H new ATOM 0 HB2 ASP A 81 -0.387 -10.941 -15.716 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -1.618 -10.133 -14.765 1.00 15.35 H new ATOM 1245 N GLU A 82 -2.548 -11.120 -12.326 1.00 51.11 N ATOM 1246 CA GLU A 82 -3.120 -10.799 -11.026 1.00 23.24 C ATOM 1247 C GLU A 82 -4.184 -11.828 -10.637 1.00 62.30 C ATOM 1248 O GLU A 82 -5.326 -11.740 -11.089 1.00 24.41 O ATOM 1249 CB GLU A 82 -3.762 -9.407 -11.062 1.00 2.34 C ATOM 1250 CG GLU A 82 -4.444 -9.003 -9.755 1.00 51.23 C ATOM 1251 CD GLU A 82 -5.444 -7.872 -9.940 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -6.625 -8.158 -10.230 1.00 21.23 O ATOM 1253 OE2 GLU A 82 -5.058 -6.693 -9.799 1.00 14.04 O ATOM 0 H GLU A 82 -3.163 -10.905 -13.111 1.00 51.11 H new ATOM 0 HA GLU A 82 -2.317 -10.816 -10.289 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -2.995 -8.671 -11.302 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -4.496 -9.377 -11.867 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -4.955 -9.869 -9.334 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -3.686 -8.698 -9.034 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.827 -12.836 -9.829 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.801 -13.762 -9.267 1.00 1.43 C ATOM 1262 C PRO A 83 -5.390 -13.208 -7.970 1.00 63.44 C ATOM 1263 O PRO A 83 -4.868 -13.458 -6.876 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.968 -15.023 -9.019 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.585 -14.522 -8.736 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.453 -13.168 -9.408 1.00 42.23 C ATOM 0 HA PRO A 83 -5.659 -13.943 -9.915 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.360 -15.597 -8.179 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -3.980 -15.681 -9.888 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.419 -14.437 -7.662 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.838 -15.217 -9.120 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -2.055 -12.420 -8.722 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.775 -13.211 -10.260 1.00 42.23 H new ATOM 1274 N THR A 84 -6.456 -12.420 -8.103 1.00 62.44 N ATOM 1275 CA THR A 84 -7.086 -11.770 -6.958 1.00 64.50 C ATOM 1276 C THR A 84 -8.150 -12.677 -6.337 1.00 62.30 C ATOM 1277 O THR A 84 -8.600 -13.647 -6.967 1.00 22.53 O ATOM 1278 CB THR A 84 -7.715 -10.406 -7.355 1.00 74.30 C ATOM 1279 OG1 THR A 84 -8.311 -9.775 -6.214 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.767 -10.572 -8.445 1.00 32.20 C ATOM 0 H THR A 84 -6.902 -12.217 -8.997 1.00 62.44 H new ATOM 0 HA THR A 84 -6.307 -11.583 -6.219 1.00 64.50 H new ATOM 0 HB THR A 84 -6.911 -9.779 -7.740 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.701 -8.917 -6.481 1.00 4.04 H new ATOM 0 HG21 THR A 84 -9.186 -9.598 -8.698 1.00 32.20 H new ATOM 0 HG22 THR A 84 -8.307 -11.010 -9.331 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.562 -11.227 -8.087 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.553 -12.352 -5.106 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.535 -13.144 -4.364 1.00 53.25 C ATOM 1290 C ALA A 85 -10.801 -13.356 -5.190 1.00 55.44 C ATOM 1291 O ALA A 85 -11.469 -14.380 -5.062 1.00 52.34 O ATOM 1292 CB ALA A 85 -9.863 -12.474 -3.034 1.00 13.24 C ATOM 0 H ALA A 85 -8.209 -11.537 -4.598 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.101 -14.123 -4.159 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -10.595 -13.075 -2.494 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -8.955 -12.386 -2.437 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.274 -11.481 -3.218 1.00 13.24 H new ATOM 1298 N GLN A 86 -11.112 -12.381 -6.042 1.00 34.21 N ATOM 1299 CA GLN A 86 -12.227 -12.495 -6.978 1.00 11.51 C ATOM 1300 C GLN A 86 -12.036 -13.718 -7.875 1.00 50.40 C ATOM 1301 O GLN A 86 -12.914 -14.579 -7.969 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.334 -11.227 -7.839 1.00 50.03 C ATOM 1303 CG GLN A 86 -13.351 -11.336 -8.973 1.00 41.24 C ATOM 1304 CD GLN A 86 -13.316 -10.143 -9.914 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.562 -10.129 -10.889 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -14.134 -9.142 -9.639 1.00 55.22 N ATOM 0 H GLN A 86 -10.604 -11.499 -6.103 1.00 34.21 H new ATOM 0 HA GLN A 86 -13.149 -12.611 -6.408 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.605 -10.387 -7.200 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.355 -11.003 -8.262 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -13.159 -12.246 -9.541 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -14.351 -11.430 -8.550 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -14.743 -9.191 -8.822 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -14.156 -8.321 -10.243 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.869 -13.794 -8.515 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.561 -14.889 -9.431 1.00 32.24 C ATOM 1317 C ASP A 87 -10.596 -16.215 -8.686 1.00 42.21 C ATOM 1318 O ASP A 87 -11.260 -17.159 -9.115 1.00 5.42 O ATOM 1319 CB ASP A 87 -9.186 -14.700 -10.092 1.00 62.23 C ATOM 1320 CG ASP A 87 -9.072 -13.401 -10.872 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.970 -13.106 -11.695 1.00 14.52 O ATOM 1322 OD2 ASP A 87 -8.076 -12.673 -10.678 1.00 21.13 O ATOM 0 H ASP A 87 -10.121 -13.108 -8.415 1.00 24.32 H new ATOM 0 HA ASP A 87 -11.317 -14.890 -10.217 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.414 -14.724 -9.323 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.994 -15.537 -10.763 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.886 -16.270 -7.559 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.868 -17.465 -6.719 1.00 12.41 C ATOM 1329 C ILE A 88 -11.286 -17.900 -6.357 1.00 62.53 C ATOM 1330 O ILE A 88 -11.604 -19.085 -6.416 1.00 0.14 O ATOM 1331 CB ILE A 88 -9.032 -17.248 -5.424 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.526 -17.278 -5.739 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.368 -18.299 -4.360 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -7.027 -16.136 -6.600 1.00 42.04 C ATOM 0 H ILE A 88 -9.316 -15.500 -7.208 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.393 -18.256 -7.300 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.290 -16.267 -5.026 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.974 -17.272 -4.799 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.294 -18.218 -6.239 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.767 -18.119 -3.469 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.426 -18.233 -4.104 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -9.151 -19.294 -4.750 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.955 -16.246 -6.766 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.546 -16.150 -7.559 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -7.221 -15.189 -6.096 1.00 42.04 H new ATOM 1346 N SER A 89 -12.133 -16.937 -6.004 1.00 54.03 N ATOM 1347 CA SER A 89 -13.509 -17.231 -5.620 1.00 31.54 C ATOM 1348 C SER A 89 -14.268 -17.877 -6.781 1.00 63.41 C ATOM 1349 O SER A 89 -14.908 -18.915 -6.612 1.00 50.42 O ATOM 1350 CB SER A 89 -14.216 -15.951 -5.159 1.00 55.52 C ATOM 1351 OG SER A 89 -15.517 -16.227 -4.659 1.00 41.44 O ATOM 0 H SER A 89 -11.890 -15.947 -5.976 1.00 54.03 H new ATOM 0 HA SER A 89 -13.493 -17.938 -4.790 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.623 -15.465 -4.384 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.286 -15.252 -5.993 1.00 55.52 H new ATOM 0 HG SER A 89 -15.941 -15.392 -4.372 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.171 -17.268 -7.962 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.846 -17.772 -9.164 1.00 54.03 C ATOM 1359 C ARG A 90 -14.404 -19.210 -9.459 1.00 24.50 C ATOM 1360 O ARG A 90 -15.228 -20.141 -9.546 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.524 -16.859 -10.360 1.00 2.20 C ATOM 1362 CG ARG A 90 -14.943 -15.401 -10.152 1.00 50.34 C ATOM 1363 CD ARG A 90 -14.204 -14.441 -11.084 1.00 62.12 C ATOM 1364 NE ARG A 90 -14.574 -14.608 -12.488 1.00 24.24 N ATOM 1365 CZ ARG A 90 -13.796 -14.259 -13.512 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -12.558 -13.814 -13.305 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -14.255 -14.363 -14.747 1.00 40.20 N ATOM 0 H ARG A 90 -13.628 -16.418 -8.115 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.923 -17.771 -8.994 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.452 -16.895 -10.555 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -15.023 -17.248 -11.247 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -16.016 -15.308 -10.317 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.753 -15.116 -9.117 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -14.412 -13.415 -10.779 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -13.130 -14.594 -10.977 1.00 62.12 H new ATOM 0 HE ARG A 90 -15.485 -15.017 -12.697 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -12.196 -13.737 -12.355 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -11.972 -13.550 -14.097 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -15.200 -14.709 -14.912 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -13.664 -14.097 -15.535 1.00 40.20 H new ATOM 1381 N VAL A 91 -13.090 -19.381 -9.585 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.495 -20.687 -9.850 1.00 73.33 C ATOM 1383 C VAL A 91 -12.922 -21.691 -8.782 1.00 11.43 C ATOM 1384 O VAL A 91 -13.393 -22.789 -9.099 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.946 -20.588 -9.896 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.308 -21.956 -10.112 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.503 -19.607 -10.981 1.00 44.15 C ATOM 0 H VAL A 91 -12.412 -18.623 -9.507 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.849 -21.031 -10.822 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.606 -20.213 -8.930 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.223 -21.851 -10.139 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.588 -22.621 -9.295 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.656 -22.375 -11.056 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.415 -19.551 -10.998 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.864 -19.950 -11.951 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.914 -18.620 -10.769 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.789 -21.285 -7.521 1.00 14.51 N ATOM 1398 CA ALA A 92 -13.150 -22.132 -6.391 1.00 51.41 C ATOM 1399 C ALA A 92 -14.622 -22.516 -6.455 1.00 45.24 C ATOM 1400 O ALA A 92 -14.991 -23.638 -6.123 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.834 -21.446 -5.067 1.00 45.23 C ATOM 0 H ALA A 92 -12.431 -20.367 -7.257 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.552 -23.042 -6.451 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -13.114 -22.101 -4.242 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.767 -21.231 -5.014 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.395 -20.514 -4.997 1.00 45.23 H new ATOM 1407 N SER A 93 -15.455 -21.583 -6.909 1.00 15.05 N ATOM 1408 CA SER A 93 -16.877 -21.835 -7.053 1.00 62.23 C ATOM 1409 C SER A 93 -17.118 -22.909 -8.114 1.00 73.41 C ATOM 1410 O SER A 93 -17.957 -23.792 -7.932 1.00 13.21 O ATOM 1411 CB SER A 93 -17.610 -20.540 -7.420 1.00 70.15 C ATOM 1412 OG SER A 93 -17.438 -19.550 -6.417 1.00 11.51 O ATOM 0 H SER A 93 -15.164 -20.645 -7.183 1.00 15.05 H new ATOM 0 HA SER A 93 -17.269 -22.195 -6.102 1.00 62.23 H new ATOM 0 HB2 SER A 93 -17.236 -20.165 -8.373 1.00 70.15 H new ATOM 0 HB3 SER A 93 -18.672 -20.746 -7.553 1.00 70.15 H new ATOM 0 HG SER A 93 -16.533 -19.179 -6.475 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.370 -22.839 -9.219 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.511 -23.841 -10.282 1.00 3.43 C ATOM 1420 C ARG A 94 -16.142 -25.231 -9.763 1.00 32.51 C ATOM 1421 O ARG A 94 -16.929 -26.175 -9.862 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.605 -23.529 -11.476 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.624 -22.092 -11.943 1.00 61.23 C ATOM 1424 CD ARG A 94 -17.034 -21.595 -12.243 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.015 -20.400 -13.088 1.00 3.54 N ATOM 1426 CZ ARG A 94 -17.240 -19.161 -12.653 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -17.483 -18.935 -11.365 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -17.208 -18.150 -13.509 1.00 21.02 N ATOM 0 H ARG A 94 -15.674 -22.116 -9.400 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.553 -23.816 -10.600 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.581 -23.795 -11.213 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.897 -24.168 -12.309 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.174 -21.459 -11.178 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.010 -21.996 -12.838 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.601 -22.383 -12.739 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.549 -21.372 -11.308 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.815 -20.525 -14.080 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -17.498 -19.712 -10.705 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -17.655 -17.984 -11.038 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -17.012 -18.323 -14.495 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -17.379 -17.199 -13.182 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.937 -25.342 -9.199 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.428 -26.633 -8.724 1.00 15.52 C ATOM 1444 C LEU A 95 -15.220 -27.140 -7.518 1.00 70.41 C ATOM 1445 O LEU A 95 -15.322 -28.346 -7.306 1.00 61.13 O ATOM 1446 CB LEU A 95 -12.911 -26.575 -8.436 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.423 -25.447 -7.500 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.110 -25.970 -6.100 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.203 -24.746 -8.093 1.00 73.21 C ATOM 0 H LEU A 95 -14.298 -24.559 -9.060 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.572 -27.356 -9.527 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.610 -27.529 -8.003 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.388 -26.477 -9.387 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.234 -24.724 -7.409 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.770 -25.147 -5.472 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -13.008 -26.410 -5.667 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.328 -26.727 -6.161 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.875 -23.955 -7.419 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.397 -25.468 -8.225 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.465 -24.314 -9.059 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.781 -26.222 -6.732 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.690 -26.596 -5.647 1.00 52.43 C ATOM 1463 C ALA A 96 -17.919 -27.296 -6.224 1.00 51.03 C ATOM 1464 O ALA A 96 -18.365 -28.330 -5.715 1.00 52.32 O ATOM 1465 CB ALA A 96 -17.104 -25.372 -4.835 1.00 5.15 C ATOM 0 H ALA A 96 -15.624 -25.218 -6.825 1.00 40.45 H new ATOM 0 HA ALA A 96 -16.170 -27.281 -4.977 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.779 -25.677 -4.035 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.219 -24.905 -4.404 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.610 -24.658 -5.485 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.453 -26.725 -7.303 1.00 43.02 N ATOM 1472 CA ALA A 97 -19.561 -27.334 -8.034 1.00 4.04 C ATOM 1473 C ALA A 97 -19.093 -28.618 -8.717 1.00 60.22 C ATOM 1474 O ALA A 97 -19.878 -29.544 -8.941 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.126 -26.352 -9.057 1.00 52.53 C ATOM 0 H ALA A 97 -18.134 -25.837 -7.691 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.354 -27.585 -7.330 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -20.951 -26.820 -9.594 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.486 -25.460 -8.545 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.345 -26.073 -9.764 1.00 52.53 H new ATOM 1481 N GLY A 98 -17.799 -28.659 -9.032 1.00 10.24 N ATOM 1482 CA GLY A 98 -17.186 -29.844 -9.608 1.00 71.13 C ATOM 1483 C GLY A 98 -16.826 -30.868 -8.557 1.00 75.14 C ATOM 1484 O GLY A 98 -16.111 -31.826 -8.849 1.00 24.30 O ATOM 0 H GLY A 98 -17.157 -27.879 -8.895 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -17.870 -30.291 -10.329 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -16.288 -29.557 -10.156 1.00 71.13 H new ATOM 1488 N GLY A 99 -17.294 -30.648 -7.326 1.00 44.44 N ATOM 1489 CA GLY A 99 -17.091 -31.610 -6.259 1.00 11.31 C ATOM 1490 C GLY A 99 -17.451 -33.010 -6.706 1.00 2.41 C ATOM 1491 O GLY A 99 -18.625 -33.377 -6.743 1.00 24.34 O ATOM 0 H GLY A 99 -17.813 -29.814 -7.052 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -16.050 -31.585 -5.937 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -17.698 -31.334 -5.397 1.00 11.31 H new ATOM 1495 N TRP A 100 -16.428 -33.778 -7.059 1.00 33.12 N ATOM 1496 CA TRP A 100 -16.584 -35.112 -7.633 1.00 54.53 C ATOM 1497 C TRP A 100 -17.567 -35.995 -6.824 1.00 63.43 C ATOM 1498 O TRP A 100 -17.917 -35.655 -5.690 1.00 14.14 O ATOM 1499 CB TRP A 100 -15.183 -35.721 -7.815 1.00 53.11 C ATOM 1500 CG TRP A 100 -14.515 -35.226 -9.070 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -14.132 -33.939 -9.355 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -14.185 -36.005 -10.228 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -13.570 -33.885 -10.607 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -13.592 -35.136 -11.162 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -14.330 -37.356 -10.561 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -13.142 -35.574 -12.405 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -13.884 -37.789 -11.795 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -13.299 -36.901 -12.706 1.00 25.43 C ATOM 0 H TRP A 100 -15.455 -33.490 -6.954 1.00 33.12 H new ATOM 0 HA TRP A 100 -17.055 -35.047 -8.614 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -14.564 -35.473 -6.952 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -15.261 -36.808 -7.850 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -14.254 -33.094 -8.693 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -13.196 -33.047 -11.052 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -14.782 -38.048 -9.866 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -12.685 -34.892 -13.107 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -13.988 -38.830 -12.061 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -12.965 -37.270 -13.665 1.00 25.43 H new ATOM 1519 N PRO A 101 -17.943 -37.193 -7.351 1.00 54.45 N ATOM 1520 CA PRO A 101 -19.239 -37.859 -7.174 1.00 61.44 C ATOM 1521 C PRO A 101 -20.384 -37.112 -6.446 1.00 74.42 C ATOM 1522 O PRO A 101 -21.299 -37.752 -5.924 1.00 34.13 O ATOM 1523 CB PRO A 101 -18.762 -39.116 -6.459 1.00 45.13 C ATOM 1524 CG PRO A 101 -17.476 -39.455 -7.192 1.00 52.13 C ATOM 1525 CD PRO A 101 -17.071 -38.197 -7.966 1.00 25.12 C ATOM 0 HA PRO A 101 -19.766 -37.987 -8.119 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -18.587 -38.936 -5.398 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -19.492 -39.923 -6.529 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -16.695 -39.747 -6.490 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -17.626 -40.296 -7.869 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -16.015 -37.958 -7.840 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -17.249 -38.297 -9.037 1.00 25.12 H new ATOM 1533 N LEU A 102 -20.370 -35.778 -6.450 1.00 10.31 N ATOM 1534 CA LEU A 102 -21.557 -34.982 -6.129 1.00 74.21 C ATOM 1535 C LEU A 102 -21.644 -33.820 -7.120 1.00 33.31 C ATOM 1536 O LEU A 102 -21.129 -32.729 -6.860 1.00 3.42 O ATOM 1537 CB LEU A 102 -21.538 -34.445 -4.680 1.00 54.21 C ATOM 1538 CG LEU A 102 -21.655 -35.496 -3.553 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -20.307 -36.152 -3.258 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -22.242 -34.869 -2.288 1.00 12.44 C ATOM 0 H LEU A 102 -19.544 -35.223 -6.674 1.00 10.31 H new ATOM 0 HA LEU A 102 -22.432 -35.626 -6.210 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -20.611 -33.890 -4.534 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -22.356 -33.734 -4.569 1.00 54.21 H new ATOM 0 HG LEU A 102 -22.333 -36.277 -3.897 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -20.426 -36.886 -2.461 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -19.940 -36.649 -4.156 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -19.592 -35.390 -2.947 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -22.316 -35.626 -1.507 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -21.595 -34.060 -1.949 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -23.234 -34.473 -2.505 1.00 12.44 H new ATOM 1552 N ALA A 103 -22.293 -34.055 -8.254 1.00 35.13 N ATOM 1553 CA ALA A 103 -22.310 -33.080 -9.342 1.00 1.22 C ATOM 1554 C ALA A 103 -23.126 -31.843 -8.970 1.00 44.52 C ATOM 1555 O ALA A 103 -24.356 -31.868 -8.999 1.00 71.31 O ATOM 1556 CB ALA A 103 -22.845 -33.716 -10.621 1.00 34.24 C ATOM 0 H ALA A 103 -22.814 -34.910 -8.446 1.00 35.13 H new ATOM 0 HA ALA A 103 -21.284 -32.757 -9.518 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -22.851 -32.975 -11.421 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -22.207 -34.553 -10.906 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -23.860 -34.075 -10.452 1.00 34.24 H new ATOM 1562 N GLY A 104 -22.432 -30.769 -8.606 1.00 1.03 N ATOM 1563 CA GLY A 104 -23.091 -29.512 -8.295 1.00 34.40 C ATOM 1564 C GLY A 104 -23.043 -28.552 -9.467 1.00 2.44 C ATOM 1565 O GLY A 104 -23.377 -27.371 -9.334 1.00 60.53 O ATOM 0 H GLY A 104 -21.416 -30.747 -8.520 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -24.129 -29.702 -8.022 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -22.613 -29.054 -7.429 1.00 34.40 H new ATOM 1569 N VAL A 105 -22.603 -29.062 -10.617 1.00 75.25 N ATOM 1570 CA VAL A 105 -22.503 -28.288 -11.827 1.00 23.35 C ATOM 1571 C VAL A 105 -23.888 -27.877 -12.347 1.00 14.03 C ATOM 1572 O VAL A 105 -24.528 -28.597 -13.117 1.00 43.04 O ATOM 1573 CB VAL A 105 -21.725 -29.084 -12.901 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -20.243 -29.189 -12.531 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -22.320 -30.480 -13.118 1.00 71.45 C ATOM 0 H VAL A 105 -22.307 -30.032 -10.723 1.00 75.25 H new ATOM 0 HA VAL A 105 -21.956 -27.372 -11.602 1.00 23.35 H new ATOM 0 HB VAL A 105 -21.816 -28.536 -13.839 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -19.715 -29.753 -13.300 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -19.815 -28.189 -12.456 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -20.142 -29.700 -11.573 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -21.745 -31.006 -13.880 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -22.283 -31.040 -12.184 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -23.356 -30.387 -13.445 1.00 71.45 H new ATOM 1585 N ASP A 106 -24.357 -26.726 -11.882 1.00 34.34 N ATOM 1586 CA ASP A 106 -25.639 -26.176 -12.317 1.00 34.40 C ATOM 1587 C ASP A 106 -25.484 -25.515 -13.689 1.00 44.13 C ATOM 1588 O ASP A 106 -24.374 -25.162 -14.088 1.00 12.44 O ATOM 1589 CB ASP A 106 -26.161 -25.169 -11.284 1.00 3.44 C ATOM 1590 CG ASP A 106 -27.555 -24.665 -11.615 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -27.671 -23.725 -12.416 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -28.542 -25.216 -11.081 1.00 25.55 O ATOM 0 H ASP A 106 -23.866 -26.150 -11.198 1.00 34.34 H new ATOM 0 HA ASP A 106 -26.365 -26.985 -12.402 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -26.172 -25.636 -10.299 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -25.476 -24.323 -11.228 1.00 3.44 H new ATOM 1597 N SER A 107 -26.592 -25.351 -14.410 1.00 25.45 N ATOM 1598 CA SER A 107 -26.553 -24.834 -15.777 1.00 20.22 C ATOM 1599 C SER A 107 -26.920 -23.345 -15.836 1.00 62.13 C ATOM 1600 O SER A 107 -26.323 -22.583 -16.601 1.00 71.25 O ATOM 1601 CB SER A 107 -27.503 -25.650 -16.658 1.00 31.03 C ATOM 1602 OG SER A 107 -27.211 -27.038 -16.563 1.00 63.21 O ATOM 0 H SER A 107 -27.529 -25.569 -14.070 1.00 25.45 H new ATOM 0 HA SER A 107 -25.532 -24.930 -16.147 1.00 20.22 H new ATOM 0 HB2 SER A 107 -28.534 -25.469 -16.354 1.00 31.03 H new ATOM 0 HB3 SER A 107 -27.414 -25.325 -17.695 1.00 31.03 H new ATOM 0 HG SER A 107 -27.830 -27.542 -17.132 1.00 63.21 H new ATOM 1608 N THR A 108 -27.891 -22.929 -15.024 1.00 52.43 N ATOM 1609 CA THR A 108 -28.368 -21.546 -15.052 1.00 65.30 C ATOM 1610 C THR A 108 -27.454 -20.650 -14.213 1.00 75.14 C ATOM 1611 O THR A 108 -27.448 -19.424 -14.363 1.00 15.14 O ATOM 1612 CB THR A 108 -29.838 -21.434 -14.557 1.00 33.03 C ATOM 1613 OG1 THR A 108 -30.343 -20.107 -14.779 1.00 25.35 O ATOM 1614 CG2 THR A 108 -29.964 -21.771 -13.076 1.00 32.14 C ATOM 0 H THR A 108 -28.361 -23.525 -14.342 1.00 52.43 H new ATOM 0 HA THR A 108 -28.342 -21.209 -16.088 1.00 65.30 H new ATOM 0 HB THR A 108 -30.423 -22.155 -15.128 1.00 33.03 H new ATOM 0 HG1 THR A 108 -31.269 -20.053 -14.464 1.00 25.35 H new ATOM 0 HG21 THR A 108 -31.006 -21.681 -12.770 1.00 32.14 H new ATOM 0 HG22 THR A 108 -29.623 -22.792 -12.905 1.00 32.14 H new ATOM 0 HG23 THR A 108 -29.354 -21.082 -12.493 1.00 32.14 H new ATOM 1622 N ALA A 109 -26.654 -21.275 -13.355 1.00 54.00 N ATOM 1623 CA ALA A 109 -25.711 -20.561 -12.503 1.00 24.21 C ATOM 1624 C ALA A 109 -24.331 -20.591 -13.146 1.00 11.04 C ATOM 1625 O ALA A 109 -23.305 -20.597 -12.464 1.00 23.33 O ATOM 1626 CB ALA A 109 -25.681 -21.197 -11.116 1.00 14.02 C ATOM 0 H ALA A 109 -26.641 -22.287 -13.231 1.00 54.00 H new ATOM 0 HA ALA A 109 -26.024 -19.523 -12.393 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -24.974 -20.659 -10.484 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -26.675 -21.148 -10.672 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -25.372 -22.239 -11.200 1.00 14.02 H new ATOM 1632 N LEU A 110 -24.322 -20.549 -14.473 1.00 1.22 N ATOM 1633 CA LEU A 110 -23.122 -20.780 -15.246 1.00 62.21 C ATOM 1634 C LEU A 110 -23.174 -19.938 -16.512 1.00 32.34 C ATOM 1635 O LEU A 110 -23.671 -20.375 -17.548 1.00 74.23 O ATOM 1636 CB LEU A 110 -22.992 -22.272 -15.582 1.00 35.40 C ATOM 1637 CG LEU A 110 -21.638 -22.708 -16.156 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -20.519 -22.415 -15.162 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -21.663 -24.192 -16.519 1.00 71.20 C ATOM 0 H LEU A 110 -25.149 -20.353 -15.037 1.00 1.22 H new ATOM 0 HA LEU A 110 -22.246 -20.489 -14.666 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -23.185 -22.848 -14.677 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -23.771 -22.534 -16.298 1.00 35.40 H new ATOM 0 HG LEU A 110 -21.447 -22.137 -17.065 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -19.565 -22.730 -15.585 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -20.488 -21.345 -14.954 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -20.703 -22.960 -14.236 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -20.694 -24.484 -16.925 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -21.875 -24.781 -15.627 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -22.437 -24.371 -17.265 1.00 71.20 H new ATOM 1651 N ASN A 111 -22.715 -18.706 -16.381 1.00 2.03 N ATOM 1652 CA ASN A 111 -22.660 -17.760 -17.493 1.00 51.20 C ATOM 1653 C ASN A 111 -21.795 -18.309 -18.631 1.00 3.43 C ATOM 1654 O ASN A 111 -22.124 -18.157 -19.806 1.00 20.31 O ATOM 1655 CB ASN A 111 -22.107 -16.431 -16.975 1.00 51.14 C ATOM 1656 CG ASN A 111 -21.759 -15.444 -18.083 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -22.579 -14.612 -18.470 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -20.542 -15.532 -18.603 1.00 71.21 N ATOM 0 H ASN A 111 -22.368 -18.328 -15.500 1.00 2.03 H new ATOM 0 HA ASN A 111 -23.661 -17.605 -17.895 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -22.841 -15.975 -16.311 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -21.215 -16.625 -16.379 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -20.259 -14.897 -19.349 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -19.889 -16.235 -18.256 1.00 71.21 H new ATOM 1665 N ALA A 112 -20.690 -18.947 -18.260 1.00 65.35 N ATOM 1666 CA ALA A 112 -19.794 -19.595 -19.202 1.00 3.51 C ATOM 1667 C ALA A 112 -18.854 -20.517 -18.430 1.00 55.23 C ATOM 1668 O ALA A 112 -18.668 -21.675 -18.850 1.00 20.44 O ATOM 1669 CB ALA A 112 -19.012 -18.566 -20.020 1.00 24.13 C ATOM 1670 OXT ALA A 112 -18.347 -20.084 -17.365 1.00 0.00 O ATOM 0 H ALA A 112 -20.391 -19.028 -17.288 1.00 65.35 H new ATOM 0 HA ALA A 112 -20.377 -20.183 -19.910 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -18.350 -19.081 -20.716 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -19.708 -17.939 -20.578 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -18.420 -17.943 -19.350 1.00 24.13 H new