USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 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 Set 1.1: A 47 GLN : amide:sc= 0.217 K(o=0.16,f=-0.52) USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= -0.0587 F(o=-1.1,f=0.16) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00632 USER MOD Single : A 42 THR OG1 : rot -99:sc= 0.724 USER MOD Single : A 45 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.045) USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= 0.708 (180deg=0.22) USER MOD Single : A 54 THR OG1 : rot -33:sc= 0.909 USER MOD Single : A 58 SER OG : rot -150:sc= 0 USER MOD Single : A 59 SER OG : rot -71:sc= 1.47 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0246) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 0.733 (180deg=0.291!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= -2.56! (180deg=-2.91!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 86 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.61) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 69:sc= 1.22 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 557 N ARG A 38 -5.121 -12.244 -22.960 1.00 2.14 N ATOM 558 CA ARG A 38 -5.210 -11.111 -22.046 1.00 45.54 C ATOM 559 C ARG A 38 -4.780 -11.539 -20.648 1.00 2.05 C ATOM 560 O ARG A 38 -4.547 -12.720 -20.395 1.00 21.04 O ATOM 561 CB ARG A 38 -6.646 -10.559 -22.006 1.00 41.41 C ATOM 562 CG ARG A 38 -7.057 -9.793 -23.259 1.00 14.00 C ATOM 563 CD ARG A 38 -6.173 -8.571 -23.480 1.00 71.31 C ATOM 564 NE ARG A 38 -6.663 -7.727 -24.571 1.00 2.14 N ATOM 565 CZ ARG A 38 -5.995 -6.684 -25.067 1.00 52.02 C ATOM 566 NH1 ARG A 38 -4.786 -6.382 -24.606 1.00 34.34 N ATOM 567 NH2 ARG A 38 -6.531 -5.948 -26.034 1.00 41.24 N ATOM 0 HA ARG A 38 -4.546 -10.324 -22.403 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -7.338 -11.388 -21.857 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -6.746 -9.901 -21.143 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -6.994 -10.451 -24.126 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -8.097 -9.480 -23.171 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -6.128 -7.986 -22.562 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -5.156 -8.895 -23.702 1.00 71.31 H new ATOM 0 HE ARG A 38 -7.572 -7.950 -24.977 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -4.365 -6.949 -23.870 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -4.279 -5.584 -24.988 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -7.455 -6.180 -26.399 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -6.019 -5.151 -26.412 1.00 41.24 H new ATOM 581 N ARG A 39 -4.675 -10.570 -19.747 1.00 13.43 N ATOM 582 CA ARG A 39 -4.317 -10.838 -18.359 1.00 31.22 C ATOM 583 C ARG A 39 -5.557 -11.259 -17.577 1.00 12.54 C ATOM 584 O ARG A 39 -5.476 -12.035 -16.629 1.00 64.51 O ATOM 585 CB ARG A 39 -3.691 -9.584 -17.733 1.00 71.22 C ATOM 586 CG ARG A 39 -3.223 -9.763 -16.289 1.00 25.23 C ATOM 587 CD ARG A 39 -2.730 -8.452 -15.685 1.00 12.21 C ATOM 588 NE ARG A 39 -2.043 -8.654 -14.404 1.00 64.14 N ATOM 589 CZ ARG A 39 -2.388 -8.063 -13.257 1.00 40.21 C ATOM 590 NH1 ARG A 39 -3.480 -7.308 -13.192 1.00 72.51 N ATOM 591 NH2 ARG A 39 -1.645 -8.233 -12.172 1.00 72.23 N ATOM 0 H ARG A 39 -4.834 -9.584 -19.955 1.00 13.43 H new ATOM 0 HA ARG A 39 -3.589 -11.649 -18.324 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -2.841 -9.275 -18.341 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -4.419 -8.774 -17.768 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -4.043 -10.154 -15.687 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -2.422 -10.502 -16.256 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -2.052 -7.964 -16.385 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -3.576 -7.780 -15.539 1.00 12.21 H new ATOM 0 HE ARG A 39 -1.246 -9.290 -14.389 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -4.060 -7.177 -14.021 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -3.738 -6.859 -12.313 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -0.809 -8.816 -12.213 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -1.910 -7.781 -11.297 1.00 72.23 H new ATOM 605 N THR A 40 -6.706 -10.737 -17.992 1.00 21.32 N ATOM 606 CA THR A 40 -7.976 -11.004 -17.324 1.00 31.44 C ATOM 607 C THR A 40 -8.578 -12.340 -17.765 1.00 32.23 C ATOM 608 O THR A 40 -8.603 -12.657 -18.955 1.00 70.14 O ATOM 609 CB THR A 40 -8.984 -9.870 -17.607 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.071 -9.634 -19.021 1.00 2.42 O ATOM 611 CG2 THR A 40 -8.575 -8.582 -16.900 1.00 5.33 C ATOM 0 H THR A 40 -6.784 -10.118 -18.799 1.00 21.32 H new ATOM 0 HA THR A 40 -7.773 -11.055 -16.254 1.00 31.44 H new ATOM 0 HB THR A 40 -9.957 -10.180 -17.225 1.00 25.32 H new ATOM 0 HG1 THR A 40 -9.714 -8.914 -19.194 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.303 -7.801 -17.117 1.00 5.33 H new ATOM 0 HG22 THR A 40 -8.537 -8.754 -15.824 1.00 5.33 H new ATOM 0 HG23 THR A 40 -7.592 -8.270 -17.252 1.00 5.33 H new ATOM 619 N LEU A 41 -9.084 -13.105 -16.799 1.00 51.33 N ATOM 620 CA LEU A 41 -9.682 -14.411 -17.070 1.00 34.14 C ATOM 621 C LEU A 41 -11.186 -14.277 -17.281 1.00 43.22 C ATOM 622 O LEU A 41 -11.929 -14.021 -16.331 1.00 22.33 O ATOM 623 CB LEU A 41 -9.412 -15.397 -15.912 1.00 61.14 C ATOM 624 CG LEU A 41 -8.090 -16.184 -15.981 1.00 40.42 C ATOM 625 CD1 LEU A 41 -6.891 -15.247 -16.097 1.00 4.32 C ATOM 626 CD2 LEU A 41 -7.954 -17.092 -14.761 1.00 50.44 C ATOM 0 H LEU A 41 -9.091 -12.840 -15.814 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.223 -14.802 -17.978 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.429 -14.839 -14.976 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.234 -16.112 -15.872 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.109 -16.803 -16.878 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -5.974 -15.834 -16.144 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -6.984 -14.647 -17.002 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.857 -14.590 -15.228 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.016 -17.643 -14.821 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -7.962 -16.487 -13.854 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -8.787 -17.795 -14.736 1.00 50.44 H new ATOM 638 N THR A 42 -11.629 -14.434 -18.524 1.00 31.45 N ATOM 639 CA THR A 42 -13.054 -14.535 -18.815 1.00 23.21 C ATOM 640 C THR A 42 -13.564 -15.889 -18.321 1.00 63.23 C ATOM 641 O THR A 42 -12.768 -16.729 -17.888 1.00 44.05 O ATOM 642 CB THR A 42 -13.351 -14.370 -20.329 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.767 -14.457 -20.569 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.619 -15.424 -21.152 1.00 34.51 C ATOM 0 H THR A 42 -11.024 -14.494 -19.343 1.00 31.45 H new ATOM 0 HA THR A 42 -13.570 -13.726 -18.299 1.00 23.21 H new ATOM 0 HB THR A 42 -12.993 -13.388 -20.637 1.00 20.41 H new ATOM 0 HG1 THR A 42 -14.990 -15.357 -20.886 1.00 73.40 H new ATOM 0 HG21 THR A 42 -12.846 -15.283 -22.209 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.545 -15.326 -20.996 1.00 34.51 H new ATOM 0 HG23 THR A 42 -12.942 -16.417 -20.841 1.00 34.51 H new ATOM 652 N GLU A 43 -14.874 -16.107 -18.399 1.00 15.15 N ATOM 653 CA GLU A 43 -15.487 -17.313 -17.847 1.00 71.31 C ATOM 654 C GLU A 43 -14.826 -18.570 -18.411 1.00 12.12 C ATOM 655 O GLU A 43 -14.692 -19.578 -17.714 1.00 32.21 O ATOM 656 CB GLU A 43 -16.991 -17.344 -18.147 1.00 43.41 C ATOM 657 CG GLU A 43 -17.777 -18.284 -17.239 1.00 4.44 C ATOM 658 CD GLU A 43 -17.726 -17.846 -15.783 1.00 44.01 C ATOM 659 OE1 GLU A 43 -18.540 -16.979 -15.392 1.00 20.13 O ATOM 660 OE2 GLU A 43 -16.864 -18.344 -15.030 1.00 43.34 O ATOM 0 H GLU A 43 -15.532 -15.464 -18.839 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.340 -17.293 -16.767 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.393 -16.336 -18.047 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.140 -17.646 -19.184 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -18.815 -18.323 -17.569 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -17.376 -19.294 -17.328 1.00 4.44 H new ATOM 667 N GLU A 44 -14.402 -18.498 -19.670 1.00 24.15 N ATOM 668 CA GLU A 44 -13.798 -19.644 -20.345 1.00 42.15 C ATOM 669 C GLU A 44 -12.430 -19.954 -19.738 1.00 51.42 C ATOM 670 O GLU A 44 -12.129 -21.099 -19.392 1.00 31.32 O ATOM 671 CB GLU A 44 -13.662 -19.389 -21.853 1.00 42.11 C ATOM 672 CG GLU A 44 -14.956 -18.941 -22.537 1.00 54.42 C ATOM 673 CD GLU A 44 -15.172 -17.436 -22.473 1.00 75.51 C ATOM 674 OE1 GLU A 44 -14.704 -16.727 -23.387 1.00 0.14 O ATOM 675 OE2 GLU A 44 -15.802 -16.956 -21.508 1.00 13.55 O ATOM 0 H GLU A 44 -14.466 -17.657 -20.244 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.453 -20.503 -20.204 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -12.898 -18.628 -22.013 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.308 -20.301 -22.333 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -14.937 -19.256 -23.580 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.801 -19.444 -22.068 1.00 54.42 H new ATOM 682 N GLN A 45 -11.620 -18.913 -19.589 1.00 31.04 N ATOM 683 CA GLN A 45 -10.290 -19.042 -19.001 1.00 14.15 C ATOM 684 C GLN A 45 -10.407 -19.561 -17.569 1.00 53.01 C ATOM 685 O GLN A 45 -9.612 -20.382 -17.121 1.00 14.13 O ATOM 686 CB GLN A 45 -9.579 -17.681 -19.026 1.00 51.21 C ATOM 687 CG GLN A 45 -9.471 -17.069 -20.418 1.00 30.54 C ATOM 688 CD GLN A 45 -8.522 -17.832 -21.327 1.00 41.25 C ATOM 689 OE1 GLN A 45 -7.332 -17.538 -21.392 1.00 64.40 O ATOM 690 NE2 GLN A 45 -9.040 -18.824 -22.028 1.00 1.34 N ATOM 0 H GLN A 45 -11.862 -17.963 -19.869 1.00 31.04 H new ATOM 0 HA GLN A 45 -9.702 -19.753 -19.582 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.115 -16.990 -18.376 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.578 -17.797 -18.612 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -10.460 -17.041 -20.875 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.131 -16.037 -20.330 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -10.034 -19.040 -21.949 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -8.446 -19.374 -22.649 1.00 1.34 H new ATOM 699 N VAL A 46 -11.429 -19.081 -16.870 1.00 64.44 N ATOM 700 CA VAL A 46 -11.710 -19.502 -15.501 1.00 2.55 C ATOM 701 C VAL A 46 -11.986 -21.004 -15.424 1.00 12.42 C ATOM 702 O VAL A 46 -11.311 -21.740 -14.696 1.00 73.15 O ATOM 703 CB VAL A 46 -12.924 -18.711 -14.936 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.667 -19.506 -13.866 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.467 -17.360 -14.393 1.00 15.10 C ATOM 0 H VAL A 46 -12.085 -18.391 -17.234 1.00 64.44 H new ATOM 0 HA VAL A 46 -10.827 -19.289 -14.899 1.00 2.55 H new ATOM 0 HB VAL A 46 -13.624 -18.541 -15.754 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.508 -18.920 -13.496 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -14.035 -20.438 -14.295 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.989 -19.729 -13.042 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.326 -16.816 -14.000 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.741 -17.515 -13.595 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.007 -16.782 -15.195 1.00 15.10 H new ATOM 715 N GLN A 47 -12.969 -21.455 -16.192 1.00 74.22 N ATOM 716 CA GLN A 47 -13.390 -22.852 -16.159 1.00 73.34 C ATOM 717 C GLN A 47 -12.292 -23.769 -16.698 1.00 25.01 C ATOM 718 O GLN A 47 -12.223 -24.935 -16.316 1.00 54.32 O ATOM 719 CB GLN A 47 -14.687 -23.032 -16.955 1.00 71.34 C ATOM 720 CG GLN A 47 -14.570 -22.523 -18.377 1.00 23.23 C ATOM 721 CD GLN A 47 -15.877 -22.544 -19.146 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.224 -23.541 -19.777 1.00 4.54 O ATOM 723 NE2 GLN A 47 -16.603 -21.438 -19.113 1.00 3.44 N ATOM 0 H GLN A 47 -13.492 -20.873 -16.847 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.576 -23.130 -15.122 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.956 -24.088 -16.972 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -15.496 -22.505 -16.449 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -14.188 -21.502 -18.357 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -13.836 -23.128 -18.910 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -16.280 -20.632 -18.578 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -17.485 -21.392 -19.623 1.00 3.44 H new ATOM 732 N GLU A 48 -11.437 -23.248 -17.585 1.00 35.04 N ATOM 733 CA GLU A 48 -10.317 -24.033 -18.108 1.00 64.51 C ATOM 734 C GLU A 48 -9.286 -24.241 -17.004 1.00 55.04 C ATOM 735 O GLU A 48 -8.777 -25.357 -16.805 1.00 73.40 O ATOM 736 CB GLU A 48 -9.698 -23.344 -19.339 1.00 43.20 C ATOM 737 CG GLU A 48 -8.443 -22.514 -19.078 1.00 42.23 C ATOM 738 CD GLU A 48 -7.884 -21.888 -20.347 1.00 41.42 C ATOM 739 OE1 GLU A 48 -8.683 -21.414 -21.181 1.00 52.21 O ATOM 740 OE2 GLU A 48 -6.647 -21.884 -20.526 1.00 51.14 O ATOM 0 H GLU A 48 -11.498 -22.298 -17.951 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.678 -25.009 -18.433 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.457 -24.109 -20.077 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -10.452 -22.696 -19.786 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -8.675 -21.727 -18.360 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.681 -23.147 -18.623 1.00 42.23 H new ATOM 747 N VAL A 49 -9.008 -23.164 -16.268 1.00 34.21 N ATOM 748 CA VAL A 49 -8.166 -23.246 -15.075 1.00 32.22 C ATOM 749 C VAL A 49 -8.683 -24.350 -14.164 1.00 34.13 C ATOM 750 O VAL A 49 -7.951 -25.271 -13.810 1.00 25.13 O ATOM 751 CB VAL A 49 -8.144 -21.913 -14.281 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.475 -22.087 -12.916 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.445 -20.821 -15.076 1.00 71.11 C ATOM 0 H VAL A 49 -9.353 -22.227 -16.477 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.150 -23.460 -15.407 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.179 -21.614 -14.114 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.476 -21.134 -12.386 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.024 -22.827 -12.334 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.448 -22.424 -13.055 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.442 -19.896 -14.499 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.418 -21.123 -15.284 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -7.973 -20.661 -16.016 1.00 71.11 H new ATOM 763 N VAL A 50 -9.962 -24.251 -13.820 1.00 60.22 N ATOM 764 CA VAL A 50 -10.630 -25.242 -12.977 1.00 11.40 C ATOM 765 C VAL A 50 -10.584 -26.633 -13.609 1.00 72.34 C ATOM 766 O VAL A 50 -10.422 -27.631 -12.910 1.00 53.42 O ATOM 767 CB VAL A 50 -12.101 -24.843 -12.714 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.752 -25.804 -11.728 1.00 15.52 C ATOM 769 CG2 VAL A 50 -12.177 -23.400 -12.223 1.00 15.52 C ATOM 0 H VAL A 50 -10.566 -23.484 -14.116 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.093 -25.272 -12.029 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.656 -24.909 -13.650 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.786 -25.505 -11.557 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -12.729 -26.815 -12.136 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -12.207 -25.781 -10.784 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -13.218 -23.132 -12.042 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -11.610 -23.300 -11.297 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -11.758 -22.736 -12.979 1.00 15.52 H new ATOM 779 N ALA A 51 -10.710 -26.687 -14.933 1.00 31.45 N ATOM 780 CA ALA A 51 -10.693 -27.952 -15.660 1.00 42.34 C ATOM 781 C ALA A 51 -9.388 -28.696 -15.408 1.00 31.41 C ATOM 782 O ALA A 51 -9.393 -29.891 -15.122 1.00 25.24 O ATOM 783 CB ALA A 51 -10.900 -27.717 -17.153 1.00 44.10 C ATOM 0 H ALA A 51 -10.825 -25.865 -15.526 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.514 -28.569 -15.295 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.884 -28.672 -17.677 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.862 -27.230 -17.315 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.102 -27.080 -17.535 1.00 44.10 H new ATOM 789 N LYS A 52 -8.272 -27.987 -15.510 1.00 53.45 N ATOM 790 CA LYS A 52 -6.968 -28.580 -15.222 1.00 42.14 C ATOM 791 C LYS A 52 -6.751 -28.706 -13.712 1.00 3.33 C ATOM 792 O LYS A 52 -6.122 -29.653 -13.238 1.00 33.40 O ATOM 793 CB LYS A 52 -5.849 -27.742 -15.859 1.00 40.33 C ATOM 794 CG LYS A 52 -5.869 -27.730 -17.394 1.00 30.34 C ATOM 795 CD LYS A 52 -5.036 -28.864 -18.014 1.00 44.14 C ATOM 796 CE LYS A 52 -5.555 -30.257 -17.666 1.00 31.32 C ATOM 797 NZ LYS A 52 -6.953 -30.468 -18.128 1.00 11.24 N ATOM 0 H LYS A 52 -8.240 -27.006 -15.788 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.942 -29.581 -15.653 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -5.927 -26.717 -15.498 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -4.886 -28.126 -15.522 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -6.900 -27.813 -17.739 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -5.490 -26.772 -17.749 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -5.027 -28.748 -19.098 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -4.004 -28.774 -17.675 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -4.907 -31.008 -18.119 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -5.505 -30.402 -16.587 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -7.508 -30.905 -17.365 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -7.376 -29.553 -18.384 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -6.953 -31.094 -18.959 1.00 11.24 H new ATOM 811 N LEU A 53 -7.312 -27.757 -12.971 1.00 5.45 N ATOM 812 CA LEU A 53 -7.157 -27.689 -11.517 1.00 72.44 C ATOM 813 C LEU A 53 -7.808 -28.905 -10.852 1.00 43.14 C ATOM 814 O LEU A 53 -7.347 -29.380 -9.817 1.00 30.51 O ATOM 815 CB LEU A 53 -7.781 -26.369 -11.011 1.00 61.32 C ATOM 816 CG LEU A 53 -7.481 -25.947 -9.556 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.386 -26.670 -8.559 1.00 3.31 C ATOM 818 CD2 LEU A 53 -6.013 -26.184 -9.213 1.00 15.34 C ATOM 0 H LEU A 53 -7.889 -27.011 -13.359 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.099 -27.704 -11.255 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -7.448 -25.566 -11.669 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.863 -26.444 -11.123 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.689 -24.880 -9.479 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -8.144 -26.346 -7.547 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.428 -26.434 -8.776 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -8.232 -27.746 -8.642 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.826 -25.879 -8.183 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.779 -27.243 -9.326 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.384 -25.600 -9.884 1.00 15.34 H new ATOM 830 N THR A 54 -8.875 -29.413 -11.465 1.00 2.31 N ATOM 831 CA THR A 54 -9.575 -30.576 -10.933 1.00 74.25 C ATOM 832 C THR A 54 -8.935 -31.876 -11.437 1.00 12.24 C ATOM 833 O THR A 54 -9.461 -32.969 -11.194 1.00 11.50 O ATOM 834 CB THR A 54 -11.090 -30.546 -11.287 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.791 -31.574 -10.567 1.00 2.43 O ATOM 836 CG2 THR A 54 -11.320 -30.730 -12.783 1.00 33.32 C ATOM 0 H THR A 54 -9.271 -29.038 -12.327 1.00 2.31 H new ATOM 0 HA THR A 54 -9.485 -30.540 -9.847 1.00 74.25 H new ATOM 0 HB THR A 54 -11.473 -29.568 -10.998 1.00 54.25 H new ATOM 0 HG1 THR A 54 -11.206 -32.352 -10.456 1.00 2.43 H new ATOM 0 HG21 THR A 54 -12.389 -30.704 -12.993 1.00 33.32 H new ATOM 0 HG22 THR A 54 -10.823 -29.928 -13.329 1.00 33.32 H new ATOM 0 HG23 THR A 54 -10.912 -31.690 -13.098 1.00 33.32 H new ATOM 844 N ASP A 55 -7.811 -31.753 -12.152 1.00 13.25 N ATOM 845 CA ASP A 55 -7.027 -32.917 -12.568 1.00 1.54 C ATOM 846 C ASP A 55 -5.845 -33.084 -11.617 1.00 20.51 C ATOM 847 O ASP A 55 -4.816 -32.420 -11.777 1.00 75.23 O ATOM 848 CB ASP A 55 -6.520 -32.774 -14.016 1.00 3.22 C ATOM 849 CG ASP A 55 -7.626 -32.857 -15.060 1.00 40.30 C ATOM 850 OD1 ASP A 55 -8.518 -33.724 -14.932 1.00 74.12 O ATOM 851 OD2 ASP A 55 -7.592 -32.081 -16.039 1.00 52.23 O ATOM 0 H ASP A 55 -7.425 -30.858 -12.454 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.669 -33.797 -12.531 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -6.005 -31.819 -14.119 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -5.786 -33.555 -14.214 1.00 3.22 H new ATOM 856 N PRO A 56 -5.970 -33.981 -10.618 1.00 62.43 N ATOM 857 CA PRO A 56 -4.986 -34.107 -9.528 1.00 43.13 C ATOM 858 C PRO A 56 -3.571 -34.416 -10.028 1.00 2.34 C ATOM 859 O PRO A 56 -2.583 -34.126 -9.346 1.00 53.10 O ATOM 860 CB PRO A 56 -5.530 -35.271 -8.676 1.00 74.10 C ATOM 861 CG PRO A 56 -6.471 -36.003 -9.575 1.00 74.41 C ATOM 862 CD PRO A 56 -7.068 -34.958 -10.476 1.00 55.11 C ATOM 0 HA PRO A 56 -4.882 -33.172 -8.977 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -4.724 -35.921 -8.336 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -6.041 -34.903 -7.786 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -5.948 -36.765 -10.152 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.244 -36.513 -9.001 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -7.365 -35.375 -11.438 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -7.957 -34.506 -10.037 1.00 55.11 H new ATOM 870 N GLU A 57 -3.475 -35.010 -11.213 1.00 53.21 N ATOM 871 CA GLU A 57 -2.182 -35.372 -11.781 1.00 31.20 C ATOM 872 C GLU A 57 -1.422 -34.125 -12.235 1.00 11.32 C ATOM 873 O GLU A 57 -0.199 -34.042 -12.090 1.00 40.10 O ATOM 874 CB GLU A 57 -2.367 -36.330 -12.964 1.00 11.23 C ATOM 875 CG GLU A 57 -1.055 -36.827 -13.561 1.00 74.52 C ATOM 876 CD GLU A 57 -1.250 -37.564 -14.874 1.00 43.42 C ATOM 877 OE1 GLU A 57 -1.377 -36.892 -15.917 1.00 10.41 O ATOM 878 OE2 GLU A 57 -1.275 -38.813 -14.871 1.00 15.41 O ATOM 0 H GLU A 57 -4.276 -35.250 -11.797 1.00 53.21 H new ATOM 0 HA GLU A 57 -1.600 -35.872 -11.007 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -2.955 -37.188 -12.637 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.942 -35.827 -13.741 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -0.389 -35.979 -13.721 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -0.563 -37.488 -12.847 1.00 74.52 H new ATOM 885 N SER A 58 -2.156 -33.147 -12.761 1.00 43.04 N ATOM 886 CA SER A 58 -1.541 -31.972 -13.366 1.00 14.11 C ATOM 887 C SER A 58 -0.802 -31.136 -12.318 1.00 64.34 C ATOM 888 O SER A 58 0.385 -30.834 -12.474 1.00 15.34 O ATOM 889 CB SER A 58 -2.621 -31.119 -14.048 1.00 53.34 C ATOM 890 OG SER A 58 -3.439 -31.911 -14.896 1.00 0.11 O ATOM 0 H SER A 58 -3.176 -33.146 -12.780 1.00 43.04 H new ATOM 0 HA SER A 58 -0.815 -32.306 -14.107 1.00 14.11 H new ATOM 0 HB2 SER A 58 -3.238 -30.635 -13.291 1.00 53.34 H new ATOM 0 HB3 SER A 58 -2.149 -30.327 -14.629 1.00 53.34 H new ATOM 0 HG SER A 58 -3.767 -31.363 -15.639 1.00 0.11 H new ATOM 896 N SER A 59 -1.497 -30.821 -11.230 1.00 11.31 N ATOM 897 CA SER A 59 -0.969 -29.932 -10.196 1.00 64.13 C ATOM 898 C SER A 59 0.315 -30.492 -9.583 1.00 74.10 C ATOM 899 O SER A 59 1.287 -29.758 -9.361 1.00 53.43 O ATOM 900 CB SER A 59 -2.027 -29.739 -9.106 1.00 5.10 C ATOM 901 OG SER A 59 -3.294 -29.482 -9.678 1.00 31.55 O ATOM 0 H SER A 59 -2.436 -31.171 -11.039 1.00 11.31 H new ATOM 0 HA SER A 59 -0.729 -28.973 -10.655 1.00 64.13 H new ATOM 0 HB2 SER A 59 -2.079 -30.631 -8.481 1.00 5.10 H new ATOM 0 HB3 SER A 59 -1.741 -28.911 -8.457 1.00 5.10 H new ATOM 0 HG SER A 59 -3.297 -28.588 -10.078 1.00 31.55 H new ATOM 907 N ALA A 60 0.319 -31.801 -9.352 1.00 52.35 N ATOM 908 CA ALA A 60 1.435 -32.478 -8.697 1.00 44.05 C ATOM 909 C ALA A 60 2.753 -32.232 -9.431 1.00 65.01 C ATOM 910 O ALA A 60 3.816 -32.193 -8.813 1.00 55.43 O ATOM 911 CB ALA A 60 1.155 -33.973 -8.594 1.00 33.33 C ATOM 0 H ALA A 60 -0.448 -32.421 -9.612 1.00 52.35 H new ATOM 0 HA ALA A 60 1.535 -32.063 -7.694 1.00 44.05 H new ATOM 0 HB1 ALA A 60 1.994 -34.467 -8.104 1.00 33.33 H new ATOM 0 HB2 ALA A 60 0.248 -34.134 -8.011 1.00 33.33 H new ATOM 0 HB3 ALA A 60 1.023 -34.388 -9.593 1.00 33.33 H new ATOM 917 N GLN A 61 2.678 -32.048 -10.746 1.00 51.35 N ATOM 918 CA GLN A 61 3.875 -31.849 -11.558 1.00 31.01 C ATOM 919 C GLN A 61 4.117 -30.365 -11.844 1.00 42.21 C ATOM 920 O GLN A 61 5.256 -29.952 -12.086 1.00 61.11 O ATOM 921 CB GLN A 61 3.754 -32.639 -12.873 1.00 62.35 C ATOM 922 CG GLN A 61 4.976 -32.518 -13.778 1.00 12.53 C ATOM 923 CD GLN A 61 4.859 -33.338 -15.052 1.00 33.44 C ATOM 924 OE1 GLN A 61 4.223 -34.393 -15.078 1.00 35.13 O ATOM 925 NE2 GLN A 61 5.476 -32.859 -16.121 1.00 62.21 N ATOM 0 H GLN A 61 1.804 -32.033 -11.271 1.00 51.35 H new ATOM 0 HA GLN A 61 4.732 -32.219 -10.996 1.00 31.01 H new ATOM 0 HB2 GLN A 61 3.589 -33.691 -12.640 1.00 62.35 H new ATOM 0 HB3 GLN A 61 2.875 -32.291 -13.416 1.00 62.35 H new ATOM 0 HG2 GLN A 61 5.124 -31.470 -14.040 1.00 12.53 H new ATOM 0 HG3 GLN A 61 5.861 -32.837 -13.228 1.00 12.53 H new ATOM 0 HE21 GLN A 61 5.993 -31.982 -16.061 1.00 62.21 H new ATOM 0 HE22 GLN A 61 5.434 -33.367 -17.004 1.00 62.21 H new ATOM 934 N ILE A 62 3.058 -29.559 -11.801 1.00 4.23 N ATOM 935 CA ILE A 62 3.182 -28.126 -12.087 1.00 32.12 C ATOM 936 C ILE A 62 3.970 -27.418 -10.988 1.00 0.54 C ATOM 937 O ILE A 62 4.935 -26.700 -11.263 1.00 12.44 O ATOM 938 CB ILE A 62 1.800 -27.440 -12.248 1.00 60.44 C ATOM 939 CG1 ILE A 62 1.060 -28.013 -13.465 1.00 42.11 C ATOM 940 CG2 ILE A 62 1.954 -25.922 -12.373 1.00 4.10 C ATOM 941 CD1 ILE A 62 -0.264 -27.346 -13.763 1.00 43.34 C ATOM 0 H ILE A 62 2.112 -29.867 -11.574 1.00 4.23 H new ATOM 0 HA ILE A 62 3.717 -28.043 -13.033 1.00 32.12 H new ATOM 0 HB ILE A 62 1.209 -27.644 -11.355 1.00 60.44 H new ATOM 0 HG12 ILE A 62 1.703 -27.924 -14.341 1.00 42.11 H new ATOM 0 HG13 ILE A 62 0.888 -29.077 -13.302 1.00 42.11 H new ATOM 0 HG21 ILE A 62 0.971 -25.465 -12.485 1.00 4.10 H new ATOM 0 HG22 ILE A 62 2.437 -25.530 -11.478 1.00 4.10 H new ATOM 0 HG23 ILE A 62 2.564 -25.689 -13.246 1.00 4.10 H new ATOM 0 HD11 ILE A 62 -0.718 -27.813 -14.637 1.00 43.34 H new ATOM 0 HD12 ILE A 62 -0.929 -27.457 -12.906 1.00 43.34 H new ATOM 0 HD13 ILE A 62 -0.101 -26.286 -13.961 1.00 43.34 H new ATOM 953 N ASP A 63 3.570 -27.641 -9.742 1.00 4.21 N ATOM 954 CA ASP A 63 4.194 -26.971 -8.597 1.00 24.12 C ATOM 955 C ASP A 63 5.077 -27.941 -7.820 1.00 32.11 C ATOM 956 O ASP A 63 5.906 -27.534 -7.005 1.00 51.03 O ATOM 957 CB ASP A 63 3.112 -26.379 -7.684 1.00 63.41 C ATOM 958 CG ASP A 63 3.686 -25.532 -6.555 1.00 3.22 C ATOM 959 OD1 ASP A 63 4.143 -24.403 -6.829 1.00 51.45 O ATOM 960 OD2 ASP A 63 3.647 -25.970 -5.388 1.00 1.22 O ATOM 0 H ASP A 63 2.815 -28.281 -9.494 1.00 4.21 H new ATOM 0 HA ASP A 63 4.824 -26.162 -8.967 1.00 24.12 H new ATOM 0 HB2 ASP A 63 2.434 -25.768 -8.281 1.00 63.41 H new ATOM 0 HB3 ASP A 63 2.520 -27.189 -7.258 1.00 63.41 H new ATOM 965 N GLY A 64 4.908 -29.233 -8.099 1.00 4.34 N ATOM 966 CA GLY A 64 5.628 -30.258 -7.362 1.00 4.15 C ATOM 967 C GLY A 64 4.930 -30.606 -6.059 1.00 21.32 C ATOM 968 O GLY A 64 5.353 -31.512 -5.336 1.00 74.55 O ATOM 0 H GLY A 64 4.284 -29.588 -8.824 1.00 4.34 H new ATOM 0 HA2 GLY A 64 5.718 -31.153 -7.977 1.00 4.15 H new ATOM 0 HA3 GLY A 64 6.640 -29.912 -7.152 1.00 4.15 H new ATOM 972 N VAL A 65 3.854 -29.876 -5.772 1.00 53.23 N ATOM 973 CA VAL A 65 3.067 -30.044 -4.549 1.00 5.12 C ATOM 974 C VAL A 65 1.596 -29.771 -4.860 1.00 22.24 C ATOM 975 O VAL A 65 1.285 -28.882 -5.654 1.00 34.45 O ATOM 976 CB VAL A 65 3.538 -29.074 -3.423 1.00 20.52 C ATOM 977 CG1 VAL A 65 2.659 -29.200 -2.176 1.00 63.22 C ATOM 978 CG2 VAL A 65 5.006 -29.310 -3.066 1.00 11.54 C ATOM 0 H VAL A 65 3.499 -29.144 -6.387 1.00 53.23 H new ATOM 0 HA VAL A 65 3.204 -31.066 -4.196 1.00 5.12 H new ATOM 0 HB VAL A 65 3.439 -28.059 -3.808 1.00 20.52 H new ATOM 0 HG11 VAL A 65 3.014 -28.511 -1.410 1.00 63.22 H new ATOM 0 HG12 VAL A 65 1.627 -28.958 -2.432 1.00 63.22 H new ATOM 0 HG13 VAL A 65 2.709 -30.221 -1.797 1.00 63.22 H new ATOM 0 HG21 VAL A 65 5.305 -28.618 -2.278 1.00 11.54 H new ATOM 0 HG22 VAL A 65 5.136 -30.335 -2.718 1.00 11.54 H new ATOM 0 HG23 VAL A 65 5.626 -29.145 -3.947 1.00 11.54 H new ATOM 988 N VAL A 66 0.699 -30.540 -4.250 1.00 30.32 N ATOM 989 CA VAL A 66 -0.740 -30.347 -4.438 1.00 1.42 C ATOM 990 C VAL A 66 -1.393 -29.889 -3.126 1.00 32.13 C ATOM 991 O VAL A 66 -1.617 -30.682 -2.205 1.00 51.15 O ATOM 992 CB VAL A 66 -1.420 -31.640 -4.980 1.00 14.41 C ATOM 993 CG1 VAL A 66 -1.107 -32.852 -4.100 1.00 5.23 C ATOM 994 CG2 VAL A 66 -2.930 -31.447 -5.128 1.00 34.45 C ATOM 0 H VAL A 66 0.941 -31.305 -3.620 1.00 30.32 H new ATOM 0 HA VAL A 66 -0.883 -29.566 -5.185 1.00 1.42 H new ATOM 0 HB VAL A 66 -1.005 -31.836 -5.969 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -1.598 -33.735 -4.509 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -0.030 -33.015 -4.075 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -1.470 -32.671 -3.088 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -3.379 -32.365 -5.508 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -3.363 -31.206 -4.157 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -3.126 -30.632 -5.825 1.00 34.45 H new ATOM 1004 N SER A 67 -1.634 -28.586 -3.025 1.00 53.53 N ATOM 1005 CA SER A 67 -2.248 -27.989 -1.841 1.00 63.30 C ATOM 1006 C SER A 67 -3.142 -26.808 -2.239 1.00 25.11 C ATOM 1007 O SER A 67 -3.071 -26.333 -3.364 1.00 45.11 O ATOM 1008 CB SER A 67 -1.161 -27.545 -0.852 1.00 44.10 C ATOM 1009 OG SER A 67 -0.409 -28.657 -0.383 1.00 1.41 O ATOM 0 H SER A 67 -1.410 -27.914 -3.759 1.00 53.53 H new ATOM 0 HA SER A 67 -2.874 -28.736 -1.353 1.00 63.30 H new ATOM 0 HB2 SER A 67 -0.495 -26.830 -1.336 1.00 44.10 H new ATOM 0 HB3 SER A 67 -1.621 -27.031 -0.008 1.00 44.10 H new ATOM 0 HG SER A 67 0.277 -28.347 0.244 1.00 1.41 H new ATOM 1015 N LYS A 68 -3.943 -26.325 -1.289 1.00 41.35 N ATOM 1016 CA LYS A 68 -4.950 -25.276 -1.523 1.00 53.40 C ATOM 1017 C LYS A 68 -4.414 -24.075 -2.325 1.00 61.41 C ATOM 1018 O LYS A 68 -5.159 -23.426 -3.066 1.00 72.23 O ATOM 1019 CB LYS A 68 -5.502 -24.810 -0.165 1.00 10.32 C ATOM 1020 CG LYS A 68 -6.470 -23.628 -0.228 1.00 71.13 C ATOM 1021 CD LYS A 68 -7.020 -23.286 1.157 1.00 22.42 C ATOM 1022 CE LYS A 68 -7.861 -22.014 1.151 1.00 22.41 C ATOM 1023 NZ LYS A 68 -9.018 -22.101 0.223 1.00 5.02 N ATOM 0 H LYS A 68 -3.915 -26.651 -0.323 1.00 41.35 H new ATOM 0 HA LYS A 68 -5.740 -25.711 -2.135 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -6.009 -25.650 0.311 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -4.664 -24.539 0.477 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -5.960 -22.759 -0.644 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -7.294 -23.866 -0.900 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -7.625 -24.117 1.520 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -6.191 -23.167 1.855 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -8.223 -21.817 2.160 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -7.234 -21.169 0.866 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -9.586 -21.232 0.293 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -8.673 -22.211 -0.752 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -9.606 -22.920 0.477 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.122 -23.793 -2.183 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.490 -22.643 -2.844 1.00 73.13 C ATOM 1039 C ASP A 69 -2.426 -22.814 -4.367 1.00 2.11 C ATOM 1040 O ASP A 69 -2.227 -21.841 -5.102 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.075 -22.425 -2.283 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.222 -23.681 -2.353 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -0.276 -24.489 -1.403 1.00 53.11 O ATOM 1044 OD2 ASP A 69 0.505 -23.868 -3.351 1.00 3.03 O ATOM 0 H ASP A 69 -2.483 -24.347 -1.612 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.108 -21.769 -2.637 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.586 -21.626 -2.840 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -1.145 -22.095 -1.247 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.600 -24.048 -4.837 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.473 -24.368 -6.260 1.00 21.21 C ATOM 1051 C GLU A 70 -3.446 -23.547 -7.111 1.00 20.22 C ATOM 1052 O GLU A 70 -3.113 -23.157 -8.230 1.00 62.31 O ATOM 1053 CB GLU A 70 -2.698 -25.872 -6.490 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.102 -26.353 -6.128 1.00 54.45 C ATOM 1055 CD GLU A 70 -4.222 -27.869 -6.126 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -4.344 -28.461 -7.217 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -4.192 -28.468 -5.029 1.00 33.23 O ATOM 0 H GLU A 70 -2.831 -24.849 -4.249 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.461 -24.108 -6.571 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -2.505 -26.102 -7.538 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -1.971 -26.432 -5.902 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.370 -25.970 -5.143 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -4.818 -25.937 -6.837 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.628 -23.257 -6.559 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.657 -22.501 -7.280 1.00 21.42 C ATOM 1066 C ILE A 71 -5.080 -21.189 -7.807 1.00 5.33 C ATOM 1067 O ILE A 71 -5.161 -20.886 -9.004 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.873 -22.182 -6.362 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.596 -23.477 -5.945 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.847 -21.208 -7.041 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.703 -23.259 -4.934 1.00 41.44 C ATOM 0 H ILE A 71 -4.896 -23.534 -5.615 1.00 21.23 H new ATOM 0 HA ILE A 71 -5.994 -23.120 -8.111 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.492 -21.697 -5.463 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -8.015 -23.950 -6.833 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.867 -24.171 -5.528 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.685 -21.006 -6.373 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.330 -20.275 -7.267 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.218 -21.650 -7.965 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -9.165 -24.215 -4.689 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.287 -22.815 -4.030 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.454 -22.590 -5.355 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.464 -20.442 -6.899 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.929 -19.120 -7.199 1.00 53.51 C ATOM 1085 C GLU A 72 -2.916 -19.190 -8.339 1.00 55.15 C ATOM 1086 O GLU A 72 -2.957 -18.392 -9.278 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.270 -18.532 -5.943 1.00 52.51 C ATOM 1088 CG GLU A 72 -4.077 -18.756 -4.666 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.448 -18.105 -3.445 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -2.265 -18.391 -3.159 1.00 15.35 O ATOM 1091 OE2 GLU A 72 -4.127 -17.306 -2.767 1.00 52.10 O ATOM 0 H GLU A 72 -4.321 -20.736 -5.933 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.750 -18.475 -7.513 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.282 -18.975 -5.820 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -3.124 -17.462 -6.087 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -5.083 -18.360 -4.804 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.177 -19.827 -4.489 1.00 33.15 H new ATOM 1098 N LYS A 73 -2.016 -20.165 -8.255 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.948 -20.312 -9.240 1.00 45.24 C ATOM 1100 C LYS A 73 -1.475 -20.832 -10.580 1.00 24.45 C ATOM 1101 O LYS A 73 -0.943 -20.478 -11.635 1.00 4.23 O ATOM 1102 CB LYS A 73 0.171 -21.202 -8.677 1.00 73.41 C ATOM 1103 CG LYS A 73 1.028 -20.476 -7.638 1.00 61.01 C ATOM 1104 CD LYS A 73 2.031 -21.395 -6.946 1.00 25.10 C ATOM 1105 CE LYS A 73 1.346 -22.392 -6.016 1.00 44.05 C ATOM 1106 NZ LYS A 73 2.324 -23.112 -5.158 1.00 4.13 N ATOM 0 H LYS A 73 -2.005 -20.866 -7.514 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.529 -19.326 -9.440 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.269 -22.091 -8.224 1.00 73.41 H new ATOM 0 HB3 LYS A 73 0.807 -21.542 -9.494 1.00 73.41 H new ATOM 0 HG2 LYS A 73 1.565 -19.661 -8.123 1.00 61.01 H new ATOM 0 HG3 LYS A 73 0.377 -20.027 -6.888 1.00 61.01 H new ATOM 0 HD2 LYS A 73 2.605 -21.936 -7.698 1.00 25.10 H new ATOM 0 HD3 LYS A 73 2.739 -20.794 -6.375 1.00 25.10 H new ATOM 0 HE2 LYS A 73 0.628 -21.867 -5.386 1.00 44.05 H new ATOM 0 HE3 LYS A 73 0.783 -23.113 -6.608 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 1.876 -23.962 -4.759 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 3.148 -23.390 -5.729 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 2.633 -22.488 -4.385 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.529 -21.651 -10.549 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.187 -22.085 -11.783 1.00 22.20 C ATOM 1122 C PHE A 74 -3.784 -20.877 -12.497 1.00 73.02 C ATOM 1123 O PHE A 74 -3.712 -20.758 -13.719 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.280 -23.123 -11.491 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.800 -24.551 -11.547 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.911 -25.042 -10.601 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -4.250 -25.404 -12.544 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -2.484 -26.354 -10.651 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -3.825 -26.715 -12.598 1.00 73.32 C ATOM 1130 CZ PHE A 74 -2.942 -27.189 -11.650 1.00 62.40 C ATOM 0 H PHE A 74 -2.941 -22.023 -9.693 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.442 -22.555 -12.426 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.696 -22.929 -10.502 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -5.090 -22.994 -12.209 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.550 -24.391 -9.818 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.942 -25.037 -13.287 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.793 -26.726 -9.910 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -4.182 -27.368 -13.380 1.00 73.32 H new ATOM 0 HZ PHE A 74 -2.608 -28.215 -11.690 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.371 -19.981 -11.715 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.902 -18.728 -12.244 1.00 31.44 C ATOM 1142 C ILE A 75 -3.782 -17.893 -12.873 1.00 22.43 C ATOM 1143 O ILE A 75 -3.892 -17.434 -14.016 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.597 -17.915 -11.123 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.759 -18.726 -10.530 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -6.089 -16.566 -11.644 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.409 -18.079 -9.327 1.00 30.54 C ATOM 0 H ILE A 75 -4.493 -20.097 -10.709 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.637 -18.969 -13.012 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.867 -17.719 -10.337 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.514 -18.877 -11.301 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.392 -19.712 -10.246 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.572 -16.018 -10.835 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -5.243 -15.990 -12.018 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.804 -16.726 -12.451 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.220 -18.712 -8.967 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.669 -17.953 -8.537 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.808 -17.105 -9.609 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.691 -17.733 -12.127 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.542 -16.946 -12.581 1.00 4.04 C ATOM 1161 C ALA A 76 -0.962 -17.503 -13.881 1.00 21.11 C ATOM 1162 O ALA A 76 -0.338 -16.772 -14.656 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.472 -16.902 -11.495 1.00 5.44 C ATOM 0 H ALA A 76 -2.577 -18.140 -11.199 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.887 -15.931 -12.780 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.377 -16.314 -11.844 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.885 -16.445 -10.596 1.00 5.44 H new ATOM 0 HB3 ALA A 76 -0.142 -17.916 -11.268 1.00 5.44 H new ATOM 1169 N ASP A 77 -1.173 -18.799 -14.116 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.682 -19.462 -15.324 1.00 42.01 C ATOM 1171 C ASP A 77 -1.306 -18.854 -16.579 1.00 61.43 C ATOM 1172 O ASP A 77 -0.672 -18.803 -17.636 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.977 -20.968 -15.273 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.464 -21.711 -16.499 1.00 43.21 C ATOM 1175 OD1 ASP A 77 0.708 -22.151 -16.490 1.00 31.32 O ATOM 1176 OD2 ASP A 77 -1.222 -21.856 -17.478 1.00 14.33 O ATOM 0 H ASP A 77 -1.684 -19.413 -13.481 1.00 61.03 H new ATOM 0 HA ASP A 77 0.397 -19.313 -15.367 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.521 -21.393 -14.379 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -2.053 -21.120 -15.185 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.533 -18.353 -16.446 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.286 -17.830 -17.589 1.00 54.41 C ATOM 1183 C VAL A 78 -3.003 -16.340 -17.770 1.00 22.23 C ATOM 1184 O VAL A 78 -3.896 -15.547 -18.060 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.806 -18.071 -17.409 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.573 -17.822 -18.713 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.057 -19.485 -16.897 1.00 24.11 C ATOM 0 H VAL A 78 -3.029 -18.297 -15.557 1.00 0.21 H new ATOM 0 HA VAL A 78 -2.962 -18.362 -18.483 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.176 -17.358 -16.672 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.636 -18.000 -18.550 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.423 -16.791 -19.032 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.206 -18.498 -19.486 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.129 -19.643 -16.774 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.664 -20.206 -17.613 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.558 -19.618 -15.937 1.00 24.11 H new ATOM 1197 N THR A 79 -1.742 -15.979 -17.571 1.00 30.41 N ATOM 1198 CA THR A 79 -1.269 -14.611 -17.773 1.00 54.12 C ATOM 1199 C THR A 79 -1.930 -13.642 -16.786 1.00 71.50 C ATOM 1200 O THR A 79 -1.854 -12.425 -16.952 1.00 33.50 O ATOM 1201 CB THR A 79 -1.539 -14.142 -19.233 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.218 -15.201 -20.152 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.718 -12.905 -19.591 1.00 22.22 C ATOM 0 H THR A 79 -1.015 -16.626 -17.264 1.00 30.41 H new ATOM 0 HA THR A 79 -0.194 -14.608 -17.593 1.00 54.12 H new ATOM 0 HB THR A 79 -2.596 -13.885 -19.306 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.391 -14.902 -21.069 1.00 53.21 H new ATOM 0 HG21 THR A 79 -0.935 -12.609 -20.617 1.00 22.22 H new ATOM 0 HG22 THR A 79 -0.976 -12.089 -18.916 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.344 -13.133 -19.495 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.535 -14.176 -15.723 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.166 -13.323 -14.721 1.00 2.22 C ATOM 1213 C LYS A 80 -2.101 -12.545 -13.955 1.00 73.41 C ATOM 1214 O LYS A 80 -2.342 -11.418 -13.517 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.064 -14.131 -13.759 1.00 2.02 C ATOM 1216 CG LYS A 80 -4.611 -13.322 -12.576 1.00 21.24 C ATOM 1217 CD LYS A 80 -5.283 -12.013 -13.005 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.468 -12.243 -13.933 1.00 30.34 C ATOM 1219 NZ LYS A 80 -7.520 -13.058 -13.290 1.00 71.14 N ATOM 0 H LYS A 80 -2.600 -15.177 -15.538 1.00 61.35 H new ATOM 0 HA LYS A 80 -3.815 -12.617 -15.239 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -4.902 -14.541 -14.322 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.495 -14.977 -13.373 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.330 -13.931 -12.028 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -3.795 -13.097 -11.889 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.619 -11.473 -12.119 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -4.551 -11.380 -13.506 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -6.886 -11.282 -14.234 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -6.127 -12.741 -14.841 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -8.278 -13.249 -13.975 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -7.112 -13.958 -12.965 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -7.911 -12.541 -12.477 1.00 71.14 H new ATOM 1233 N ASP A 81 -0.915 -13.147 -13.822 1.00 15.43 N ATOM 1234 CA ASP A 81 0.217 -12.520 -13.131 1.00 70.42 C ATOM 1235 C ASP A 81 -0.045 -12.415 -11.628 1.00 63.31 C ATOM 1236 O ASP A 81 0.616 -13.078 -10.831 1.00 51.31 O ATOM 1237 CB ASP A 81 0.520 -11.135 -13.739 1.00 15.35 C ATOM 1238 CG ASP A 81 1.457 -10.293 -12.887 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.661 -10.621 -12.808 1.00 21.22 O ATOM 1240 OD2 ASP A 81 0.993 -9.282 -12.317 1.00 53.32 O ATOM 0 H ASP A 81 -0.713 -14.077 -14.188 1.00 15.43 H new ATOM 0 HA ASP A 81 1.094 -13.153 -13.269 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.961 -11.269 -14.727 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.416 -10.595 -13.878 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.017 -11.592 -11.254 1.00 51.11 N ATOM 1246 CA GLU A 82 -1.394 -11.412 -9.859 1.00 23.24 C ATOM 1247 C GLU A 82 -2.850 -11.848 -9.658 1.00 62.30 C ATOM 1248 O GLU A 82 -3.780 -11.120 -10.015 1.00 24.41 O ATOM 1249 CB GLU A 82 -1.205 -9.946 -9.460 1.00 2.34 C ATOM 1250 CG GLU A 82 -1.547 -9.639 -8.007 1.00 51.23 C ATOM 1251 CD GLU A 82 -1.291 -8.186 -7.650 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -2.083 -7.317 -8.073 1.00 21.23 O ATOM 1253 OE2 GLU A 82 -0.286 -7.902 -6.966 1.00 14.04 O ATOM 0 H GLU A 82 -1.564 -11.032 -11.908 1.00 51.11 H new ATOM 0 HA GLU A 82 -0.758 -12.028 -9.224 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -0.169 -9.663 -9.644 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -1.825 -9.324 -10.106 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -2.595 -9.876 -7.825 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -0.956 -10.281 -7.353 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.063 -13.064 -9.123 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.405 -13.601 -8.887 1.00 1.43 C ATOM 1262 C PRO A 83 -5.044 -13.014 -7.626 1.00 63.44 C ATOM 1263 O PRO A 83 -4.477 -13.091 -6.533 1.00 23.54 O ATOM 1264 CB PRO A 83 -4.150 -15.105 -8.733 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.768 -15.203 -8.176 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.006 -14.009 -8.706 1.00 42.23 C ATOM 0 HA PRO A 83 -5.103 -13.359 -9.688 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.879 -15.563 -8.065 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -4.228 -15.619 -9.691 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.788 -15.198 -7.086 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -2.292 -16.134 -8.482 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.362 -13.575 -7.941 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.365 -14.285 -9.543 1.00 42.23 H new ATOM 1274 N THR A 84 -6.225 -12.421 -7.777 1.00 62.44 N ATOM 1275 CA THR A 84 -6.913 -11.791 -6.654 1.00 64.50 C ATOM 1276 C THR A 84 -8.021 -12.689 -6.100 1.00 62.30 C ATOM 1277 O THR A 84 -8.404 -13.690 -6.724 1.00 22.53 O ATOM 1278 CB THR A 84 -7.507 -10.418 -7.051 1.00 74.30 C ATOM 1279 OG1 THR A 84 -8.170 -9.829 -5.923 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.493 -10.551 -8.208 1.00 32.20 C ATOM 0 H THR A 84 -6.725 -12.363 -8.664 1.00 62.44 H new ATOM 0 HA THR A 84 -6.166 -11.637 -5.875 1.00 64.50 H new ATOM 0 HB THR A 84 -6.685 -9.779 -7.374 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.542 -8.960 -6.180 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.891 -9.569 -8.461 1.00 32.20 H new ATOM 0 HG22 THR A 84 -7.982 -10.970 -9.075 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.311 -11.210 -7.915 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.541 -12.305 -4.933 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.589 -13.056 -4.250 1.00 53.25 C ATOM 1290 C ALA A 85 -10.787 -13.271 -5.168 1.00 55.44 C ATOM 1291 O ALA A 85 -11.461 -14.296 -5.089 1.00 52.34 O ATOM 1292 CB ALA A 85 -10.013 -12.333 -2.975 1.00 13.24 C ATOM 0 H ALA A 85 -8.246 -11.464 -4.437 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.191 -14.034 -3.979 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -10.795 -12.905 -2.476 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.155 -12.235 -2.310 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.392 -11.343 -3.227 1.00 13.24 H new ATOM 1298 N GLN A 86 -11.034 -12.298 -6.043 1.00 34.21 N ATOM 1299 CA GLN A 86 -12.093 -12.406 -7.041 1.00 11.51 C ATOM 1300 C GLN A 86 -11.869 -13.642 -7.911 1.00 50.40 C ATOM 1301 O GLN A 86 -12.773 -14.456 -8.100 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.122 -11.143 -7.916 1.00 50.03 C ATOM 1303 CG GLN A 86 -13.202 -11.142 -8.993 1.00 41.24 C ATOM 1304 CD GLN A 86 -14.608 -11.221 -8.423 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -15.161 -12.305 -8.248 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -15.194 -10.072 -8.124 1.00 55.22 N ATOM 0 H GLN A 86 -10.512 -11.423 -6.080 1.00 34.21 H new ATOM 0 HA GLN A 86 -13.051 -12.504 -6.530 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.267 -10.275 -7.273 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.150 -11.026 -8.395 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -13.109 -10.236 -9.592 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -13.040 -11.986 -9.664 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -14.703 -9.192 -8.283 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -16.137 -10.066 -7.734 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.644 -13.788 -8.412 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.294 -14.911 -9.278 1.00 32.24 C ATOM 1317 C ASP A 87 -10.399 -16.218 -8.516 1.00 42.21 C ATOM 1318 O ASP A 87 -11.064 -17.154 -8.967 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.877 -14.750 -9.849 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.756 -13.557 -10.766 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.572 -13.430 -11.706 1.00 21.13 O ATOM 1322 OD2 ASP A 87 -7.828 -12.745 -10.574 1.00 14.52 O ATOM 0 H ASP A 87 -9.876 -13.141 -8.232 1.00 24.32 H new ATOM 0 HA ASP A 87 -10.999 -14.925 -10.109 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.167 -14.647 -9.028 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.604 -15.653 -10.395 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.749 -16.275 -7.355 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.792 -17.468 -6.516 1.00 12.41 C ATOM 1329 C ILE A 88 -11.236 -17.841 -6.182 1.00 62.53 C ATOM 1330 O ILE A 88 -11.583 -19.015 -6.160 1.00 0.14 O ATOM 1331 CB ILE A 88 -8.963 -17.302 -5.204 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.451 -17.386 -5.490 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.357 -18.354 -4.165 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.889 -16.218 -6.272 1.00 42.04 C ATOM 0 H ILE A 88 -9.189 -15.511 -6.976 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.336 -18.275 -7.090 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.187 -16.315 -4.800 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.919 -17.460 -4.541 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.250 -18.305 -6.041 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.763 -18.214 -3.262 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.415 -18.249 -3.924 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -9.174 -19.350 -4.568 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.820 -16.364 -6.426 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.389 -16.153 -7.238 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -7.053 -15.295 -5.716 1.00 42.04 H new ATOM 1346 N SER A 89 -12.082 -16.833 -5.958 1.00 54.03 N ATOM 1347 CA SER A 89 -13.483 -17.069 -5.613 1.00 31.54 C ATOM 1348 C SER A 89 -14.233 -17.699 -6.789 1.00 63.41 C ATOM 1349 O SER A 89 -14.893 -18.725 -6.628 1.00 50.42 O ATOM 1350 CB SER A 89 -14.162 -15.751 -5.196 1.00 55.52 C ATOM 1351 OG SER A 89 -15.503 -15.963 -4.789 1.00 41.44 O ATOM 0 H SER A 89 -11.821 -15.848 -6.009 1.00 54.03 H new ATOM 0 HA SER A 89 -13.514 -17.763 -4.773 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.601 -15.294 -4.381 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.140 -15.050 -6.030 1.00 55.52 H new ATOM 0 HG SER A 89 -15.905 -15.108 -4.529 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.103 -17.098 -7.971 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.765 -17.598 -9.181 1.00 54.03 C ATOM 1359 C ARG A 90 -14.332 -19.041 -9.453 1.00 24.50 C ATOM 1360 O ARG A 90 -15.159 -19.969 -9.529 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.408 -16.701 -10.381 1.00 2.20 C ATOM 1362 CG ARG A 90 -14.843 -15.247 -10.210 1.00 50.34 C ATOM 1363 CD ARG A 90 -14.151 -14.316 -11.201 1.00 62.12 C ATOM 1364 NE ARG A 90 -14.486 -14.623 -12.593 1.00 24.24 N ATOM 1365 CZ ARG A 90 -13.745 -14.260 -13.642 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -12.589 -13.627 -13.467 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -14.157 -14.540 -14.870 1.00 40.20 N ATOM 0 H ARG A 90 -13.542 -16.259 -8.119 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.845 -17.576 -9.033 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.330 -16.732 -10.539 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.874 -17.107 -11.279 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -15.923 -15.175 -10.340 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.622 -14.921 -9.194 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -14.432 -13.286 -10.983 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -13.072 -14.387 -11.067 1.00 62.12 H new ATOM 0 HE ARG A 90 -15.342 -15.149 -12.773 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -12.261 -13.415 -12.525 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -12.030 -13.354 -14.275 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -15.039 -15.032 -15.012 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -13.592 -14.263 -15.673 1.00 40.20 H new ATOM 1381 N VAL A 91 -13.020 -19.220 -9.551 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.425 -20.527 -9.772 1.00 73.33 C ATOM 1383 C VAL A 91 -12.917 -21.511 -8.715 1.00 11.43 C ATOM 1384 O VAL A 91 -13.392 -22.605 -9.045 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.876 -20.432 -9.755 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.222 -21.810 -9.831 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.388 -19.549 -10.904 1.00 44.15 C ATOM 0 H VAL A 91 -12.341 -18.462 -9.479 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.730 -20.889 -10.754 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.583 -19.981 -8.807 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.138 -21.699 -9.817 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.537 -22.410 -8.977 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.524 -22.306 -10.754 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.300 -19.490 -10.881 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.708 -19.978 -11.854 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.808 -18.549 -10.798 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.855 -21.092 -7.449 1.00 14.51 N ATOM 1398 CA ALA A 92 -13.306 -21.924 -6.336 1.00 51.41 C ATOM 1399 C ALA A 92 -14.782 -22.267 -6.472 1.00 45.24 C ATOM 1400 O ALA A 92 -15.206 -23.356 -6.103 1.00 41.04 O ATOM 1401 CB ALA A 92 -13.043 -21.240 -5.001 1.00 45.23 C ATOM 0 H ALA A 92 -12.496 -20.179 -7.171 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.734 -22.852 -6.366 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -13.388 -21.881 -4.190 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.974 -21.058 -4.890 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.578 -20.291 -4.967 1.00 45.23 H new ATOM 1407 N SER A 93 -15.559 -21.334 -7.011 1.00 15.05 N ATOM 1408 CA SER A 93 -16.981 -21.546 -7.209 1.00 62.23 C ATOM 1409 C SER A 93 -17.218 -22.583 -8.306 1.00 73.41 C ATOM 1410 O SER A 93 -18.181 -23.348 -8.250 1.00 13.21 O ATOM 1411 CB SER A 93 -17.666 -20.221 -7.561 1.00 70.15 C ATOM 1412 OG SER A 93 -17.470 -19.262 -6.538 1.00 11.51 O ATOM 0 H SER A 93 -15.223 -20.421 -7.318 1.00 15.05 H new ATOM 0 HA SER A 93 -17.412 -21.925 -6.283 1.00 62.23 H new ATOM 0 HB2 SER A 93 -17.269 -19.841 -8.502 1.00 70.15 H new ATOM 0 HB3 SER A 93 -18.733 -20.387 -7.709 1.00 70.15 H new ATOM 0 HG SER A 93 -16.527 -18.996 -6.515 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.339 -22.608 -9.308 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.464 -23.594 -10.387 1.00 3.43 C ATOM 1420 C ARG A 94 -16.102 -24.998 -9.890 1.00 32.51 C ATOM 1421 O ARG A 94 -16.902 -25.928 -10.004 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.549 -23.229 -11.555 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.590 -21.763 -11.953 1.00 61.23 C ATOM 1424 CD ARG A 94 -17.017 -21.272 -12.199 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.055 -19.881 -12.664 1.00 3.54 N ATOM 1426 CZ ARG A 94 -17.495 -18.849 -11.938 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -17.916 -19.030 -10.695 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -17.516 -17.632 -12.462 1.00 21.02 N ATOM 0 H ARG A 94 -15.547 -21.972 -9.397 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.502 -23.588 -10.720 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.524 -23.493 -11.294 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.824 -23.835 -12.419 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.131 -21.162 -11.168 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -14.996 -21.616 -12.855 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.497 -21.913 -12.938 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.593 -21.361 -11.278 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.722 -19.688 -13.609 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -17.906 -19.963 -10.284 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -18.250 -18.236 -10.149 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -17.196 -17.483 -13.419 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -17.852 -16.844 -11.908 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.900 -25.137 -9.320 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.489 -26.405 -8.692 1.00 15.52 C ATOM 1444 C LEU A 95 -15.434 -26.799 -7.559 1.00 70.41 C ATOM 1445 O LEU A 95 -15.590 -27.987 -7.264 1.00 61.13 O ATOM 1446 CB LEU A 95 -13.026 -26.379 -8.209 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.612 -25.192 -7.321 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.373 -25.629 -5.878 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.372 -24.507 -7.887 1.00 73.21 C ATOM 0 H LEU A 95 -14.199 -24.398 -9.279 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.553 -27.168 -9.467 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.833 -27.300 -7.658 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.378 -26.390 -9.085 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.435 -24.477 -7.318 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -12.082 -24.765 -5.280 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -13.288 -26.060 -5.472 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.578 -26.374 -5.850 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -11.094 -23.670 -7.246 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.549 -25.221 -7.929 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.585 -24.140 -8.891 1.00 73.21 H new ATOM 1461 N ALA A 96 -16.055 -25.807 -6.918 1.00 40.45 N ATOM 1462 CA ALA A 96 -17.083 -26.073 -5.910 1.00 52.43 C ATOM 1463 C ALA A 96 -18.149 -27.013 -6.474 1.00 51.03 C ATOM 1464 O ALA A 96 -18.577 -27.964 -5.821 1.00 52.32 O ATOM 1465 CB ALA A 96 -17.722 -24.779 -5.420 1.00 5.15 C ATOM 0 H ALA A 96 -15.866 -24.818 -7.078 1.00 40.45 H new ATOM 0 HA ALA A 96 -16.603 -26.555 -5.058 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -18.481 -25.009 -4.672 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.958 -24.141 -4.977 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -18.185 -24.261 -6.260 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.570 -26.734 -7.696 1.00 43.02 N ATOM 1472 CA ALA A 97 -19.509 -27.587 -8.413 1.00 4.04 C ATOM 1473 C ALA A 97 -18.798 -28.799 -9.020 1.00 60.22 C ATOM 1474 O ALA A 97 -19.435 -29.784 -9.407 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.220 -26.787 -9.485 1.00 52.53 C ATOM 0 H ALA A 97 -18.272 -25.911 -8.220 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.249 -27.959 -7.705 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -20.920 -27.432 -10.016 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.764 -25.963 -9.023 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.488 -26.389 -10.188 1.00 52.53 H new ATOM 1481 N GLY A 98 -17.471 -28.706 -9.102 1.00 10.24 N ATOM 1482 CA GLY A 98 -16.664 -29.734 -9.738 1.00 71.13 C ATOM 1483 C GLY A 98 -16.703 -31.052 -8.997 1.00 75.14 C ATOM 1484 O GLY A 98 -16.633 -32.116 -9.617 1.00 24.30 O ATOM 0 H GLY A 98 -16.934 -27.922 -8.732 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -17.015 -29.886 -10.759 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -15.632 -29.390 -9.804 1.00 71.13 H new ATOM 1488 N GLY A 99 -16.809 -30.997 -7.673 1.00 44.44 N ATOM 1489 CA GLY A 99 -16.951 -32.219 -6.905 1.00 11.31 C ATOM 1490 C GLY A 99 -16.361 -32.145 -5.514 1.00 2.41 C ATOM 1491 O GLY A 99 -16.961 -32.652 -4.564 1.00 24.34 O ATOM 0 H GLY A 99 -16.799 -30.138 -7.124 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -18.010 -32.465 -6.827 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -16.473 -33.035 -7.448 1.00 11.31 H new ATOM 1495 N TRP A 100 -15.196 -31.509 -5.366 1.00 33.12 N ATOM 1496 CA TRP A 100 -14.480 -31.567 -4.091 1.00 54.53 C ATOM 1497 C TRP A 100 -14.157 -30.177 -3.523 1.00 63.43 C ATOM 1498 O TRP A 100 -13.051 -29.656 -3.680 1.00 14.14 O ATOM 1499 CB TRP A 100 -13.190 -32.396 -4.279 1.00 53.11 C ATOM 1500 CG TRP A 100 -12.339 -31.976 -5.462 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -12.735 -31.838 -6.769 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -10.936 -31.675 -5.443 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -11.674 -31.450 -7.547 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -10.558 -31.347 -6.760 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -9.965 -31.642 -4.437 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -9.252 -30.997 -7.096 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -8.669 -31.298 -4.773 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -8.323 -30.975 -6.092 1.00 25.43 C ATOM 0 H TRP A 100 -14.738 -30.961 -6.094 1.00 33.12 H new ATOM 0 HA TRP A 100 -15.132 -32.045 -3.360 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -12.590 -32.322 -3.372 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -13.461 -33.445 -4.397 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -13.737 -32.010 -7.132 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -11.710 -31.268 -8.550 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -10.223 -31.881 -3.416 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -8.983 -30.752 -8.113 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -7.910 -31.278 -4.005 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -7.303 -30.703 -6.320 1.00 25.43 H new ATOM 1519 N PRO A 101 -15.163 -29.547 -2.894 1.00 54.45 N ATOM 1520 CA PRO A 101 -15.030 -28.429 -1.973 1.00 61.44 C ATOM 1521 C PRO A 101 -15.857 -28.681 -0.699 1.00 74.42 C ATOM 1522 O PRO A 101 -15.794 -29.756 -0.096 1.00 34.13 O ATOM 1523 CB PRO A 101 -15.755 -27.403 -2.832 1.00 45.13 C ATOM 1524 CG PRO A 101 -16.952 -28.192 -3.341 1.00 52.13 C ATOM 1525 CD PRO A 101 -16.581 -29.668 -3.213 1.00 25.12 C ATOM 0 HA PRO A 101 -14.021 -28.193 -1.635 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -16.059 -26.531 -2.253 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -15.130 -27.042 -3.648 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -17.844 -27.964 -2.758 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -17.174 -27.936 -4.377 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -17.143 -30.172 -2.427 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -16.755 -30.223 -4.135 1.00 25.12 H new ATOM 1533 N LEU A 102 -16.627 -27.666 -0.310 1.00 10.31 N ATOM 1534 CA LEU A 102 -17.878 -27.863 0.413 1.00 74.21 C ATOM 1535 C LEU A 102 -19.008 -27.603 -0.588 1.00 33.31 C ATOM 1536 O LEU A 102 -19.250 -26.455 -0.967 1.00 3.42 O ATOM 1537 CB LEU A 102 -18.012 -26.926 1.626 1.00 54.21 C ATOM 1538 CG LEU A 102 -17.116 -27.255 2.833 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -15.650 -26.939 2.542 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -17.598 -26.508 4.073 1.00 12.44 C ATOM 0 H LEU A 102 -16.400 -26.687 -0.487 1.00 10.31 H new ATOM 0 HA LEU A 102 -17.915 -28.876 0.813 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -17.791 -25.909 1.301 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -19.051 -26.937 1.956 1.00 54.21 H new ATOM 0 HG LEU A 102 -17.188 -28.326 3.024 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -15.045 -27.183 3.415 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -15.313 -27.530 1.690 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -15.545 -25.879 2.313 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -16.954 -26.752 4.918 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -17.563 -25.434 3.888 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -18.622 -26.804 4.301 1.00 12.44 H new ATOM 1552 N ALA A 103 -19.653 -28.676 -1.047 1.00 35.13 N ATOM 1553 CA ALA A 103 -20.603 -28.615 -2.166 1.00 1.22 C ATOM 1554 C ALA A 103 -21.702 -27.569 -1.953 1.00 44.52 C ATOM 1555 O ALA A 103 -21.981 -27.164 -0.821 1.00 71.31 O ATOM 1556 CB ALA A 103 -21.220 -29.989 -2.405 1.00 34.24 C ATOM 0 H ALA A 103 -19.534 -29.611 -0.657 1.00 35.13 H new ATOM 0 HA ALA A 103 -20.040 -28.307 -3.047 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -21.923 -29.933 -3.236 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -20.433 -30.705 -2.643 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -21.746 -30.313 -1.507 1.00 34.24 H new ATOM 1562 N GLY A 104 -22.324 -27.139 -3.053 1.00 1.03 N ATOM 1563 CA GLY A 104 -23.373 -26.138 -2.978 1.00 34.40 C ATOM 1564 C GLY A 104 -23.873 -25.701 -4.345 1.00 2.44 C ATOM 1565 O GLY A 104 -24.992 -26.042 -4.742 1.00 60.53 O ATOM 0 H GLY A 104 -22.117 -27.469 -3.996 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -24.208 -26.537 -2.402 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -23.000 -25.268 -2.438 1.00 34.40 H new ATOM 1569 N VAL A 105 -23.039 -24.954 -5.069 1.00 75.25 N ATOM 1570 CA VAL A 105 -23.409 -24.344 -6.331 1.00 23.35 C ATOM 1571 C VAL A 105 -23.484 -25.359 -7.480 1.00 14.03 C ATOM 1572 O VAL A 105 -23.330 -26.566 -7.271 1.00 43.04 O ATOM 1573 CB VAL A 105 -22.384 -23.250 -6.680 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -22.378 -22.148 -5.622 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -20.985 -23.845 -6.861 1.00 71.45 C ATOM 0 H VAL A 105 -22.079 -24.758 -4.786 1.00 75.25 H new ATOM 0 HA VAL A 105 -24.406 -23.920 -6.211 1.00 23.35 H new ATOM 0 HB VAL A 105 -22.682 -22.803 -7.628 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -21.645 -21.388 -5.893 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -23.367 -21.694 -5.564 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -22.117 -22.575 -4.654 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -20.281 -23.050 -7.107 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -20.674 -24.332 -5.937 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -21.003 -24.577 -7.669 1.00 71.45 H new ATOM 1585 N ASP A 106 -23.726 -24.851 -8.694 1.00 34.34 N ATOM 1586 CA ASP A 106 -23.805 -25.680 -9.900 1.00 34.40 C ATOM 1587 C ASP A 106 -22.858 -25.156 -10.977 1.00 44.13 C ATOM 1588 O ASP A 106 -22.729 -23.945 -11.167 1.00 12.44 O ATOM 1589 CB ASP A 106 -25.239 -25.716 -10.453 1.00 3.44 C ATOM 1590 CG ASP A 106 -26.200 -26.467 -9.547 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -26.133 -27.714 -9.510 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -27.025 -25.819 -8.868 1.00 25.55 O ATOM 0 H ASP A 106 -23.872 -23.856 -8.867 1.00 34.34 H new ATOM 0 HA ASP A 106 -23.509 -26.692 -9.623 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -25.597 -24.695 -10.589 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -25.233 -26.185 -11.437 1.00 3.44 H new ATOM 1597 N SER A 107 -22.210 -26.076 -11.686 1.00 25.45 N ATOM 1598 CA SER A 107 -21.235 -25.726 -12.717 1.00 20.22 C ATOM 1599 C SER A 107 -21.924 -25.200 -13.972 1.00 62.13 C ATOM 1600 O SER A 107 -21.476 -24.227 -14.578 1.00 71.25 O ATOM 1601 CB SER A 107 -20.375 -26.952 -13.049 1.00 31.03 C ATOM 1602 OG SER A 107 -21.190 -28.094 -13.269 1.00 63.21 O ATOM 0 H SER A 107 -22.344 -27.080 -11.564 1.00 25.45 H new ATOM 0 HA SER A 107 -20.595 -24.931 -12.334 1.00 20.22 H new ATOM 0 HB2 SER A 107 -19.775 -26.751 -13.936 1.00 31.03 H new ATOM 0 HB3 SER A 107 -19.681 -27.147 -12.232 1.00 31.03 H new ATOM 0 HG SER A 107 -20.623 -28.865 -13.481 1.00 63.21 H new ATOM 1608 N THR A 108 -23.026 -25.845 -14.352 1.00 52.43 N ATOM 1609 CA THR A 108 -23.767 -25.465 -15.551 1.00 65.30 C ATOM 1610 C THR A 108 -24.276 -24.023 -15.443 1.00 75.14 C ATOM 1611 O THR A 108 -24.412 -23.326 -16.451 1.00 15.14 O ATOM 1612 CB THR A 108 -24.949 -26.436 -15.816 1.00 33.03 C ATOM 1613 OG1 THR A 108 -25.607 -26.091 -17.043 1.00 25.35 O ATOM 1614 CG2 THR A 108 -25.956 -26.413 -14.669 1.00 32.14 C ATOM 0 H THR A 108 -23.425 -26.635 -13.845 1.00 52.43 H new ATOM 0 HA THR A 108 -23.081 -25.529 -16.396 1.00 65.30 H new ATOM 0 HB THR A 108 -24.541 -27.444 -15.892 1.00 33.03 H new ATOM 0 HG1 THR A 108 -26.350 -26.710 -17.201 1.00 25.35 H new ATOM 0 HG21 THR A 108 -26.771 -27.104 -14.886 1.00 32.14 H new ATOM 0 HG22 THR A 108 -25.462 -26.714 -13.745 1.00 32.14 H new ATOM 0 HG23 THR A 108 -26.355 -25.405 -14.556 1.00 32.14 H new ATOM 1622 N ALA A 109 -24.518 -23.565 -14.212 1.00 54.00 N ATOM 1623 CA ALA A 109 -25.024 -22.211 -13.973 1.00 24.21 C ATOM 1624 C ALA A 109 -23.890 -21.192 -13.951 1.00 11.04 C ATOM 1625 O ALA A 109 -24.117 -19.995 -13.788 1.00 23.33 O ATOM 1626 CB ALA A 109 -25.821 -22.164 -12.672 1.00 14.02 C ATOM 0 H ALA A 109 -24.371 -24.113 -13.364 1.00 54.00 H new ATOM 0 HA ALA A 109 -25.688 -21.948 -14.797 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -26.190 -21.152 -12.508 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -26.664 -22.852 -12.737 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -25.178 -22.455 -11.841 1.00 14.02 H new ATOM 1632 N LEU A 110 -22.676 -21.682 -14.135 1.00 1.22 N ATOM 1633 CA LEU A 110 -21.478 -20.852 -14.104 1.00 62.21 C ATOM 1634 C LEU A 110 -20.581 -21.193 -15.294 1.00 32.34 C ATOM 1635 O LEU A 110 -19.386 -20.897 -15.300 1.00 74.23 O ATOM 1636 CB LEU A 110 -20.739 -21.100 -12.784 1.00 35.40 C ATOM 1637 CG LEU A 110 -21.439 -20.579 -11.515 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -20.655 -20.977 -10.266 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -21.622 -19.064 -11.582 1.00 71.20 C ATOM 0 H LEU A 110 -22.490 -22.669 -14.311 1.00 1.22 H new ATOM 0 HA LEU A 110 -21.751 -19.799 -14.172 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -20.581 -22.173 -12.674 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -19.754 -20.638 -12.849 1.00 35.40 H new ATOM 0 HG LEU A 110 -22.427 -21.037 -11.457 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -21.166 -20.600 -9.380 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -20.587 -22.063 -10.210 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -19.652 -20.552 -10.315 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -22.118 -18.717 -10.676 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -20.648 -18.583 -11.669 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -22.231 -18.809 -12.449 1.00 71.20 H new ATOM 1651 N ASN A 111 -21.181 -21.809 -16.308 1.00 2.03 N ATOM 1652 CA ASN A 111 -20.446 -22.299 -17.473 1.00 51.20 C ATOM 1653 C ASN A 111 -20.842 -21.536 -18.733 1.00 3.43 C ATOM 1654 O ASN A 111 -21.905 -21.776 -19.306 1.00 20.31 O ATOM 1655 CB ASN A 111 -20.713 -23.804 -17.661 1.00 51.14 C ATOM 1656 CG ASN A 111 -20.059 -24.393 -18.905 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -18.872 -23.923 -19.251 1.00 64.14 O flip ATOM 1658 ND2 ASN A 111 -20.608 -25.300 -19.531 1.00 71.21 N flip ATOM 0 H ASN A 111 -22.185 -21.983 -16.347 1.00 2.03 H new ATOM 0 HA ASN A 111 -19.382 -22.138 -17.301 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -20.352 -24.340 -16.783 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -21.789 -23.969 -17.715 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -21.524 -25.640 -19.238 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -20.147 -25.711 -20.342 1.00 71.21 H new ATOM 1665 N ALA A 112 -19.996 -20.594 -19.138 1.00 65.35 N ATOM 1666 CA ALA A 112 -20.172 -19.897 -20.405 1.00 3.51 C ATOM 1667 C ALA A 112 -19.511 -20.701 -21.526 1.00 55.23 C ATOM 1668 O ALA A 112 -18.305 -21.007 -21.400 1.00 20.44 O ATOM 1669 CB ALA A 112 -19.591 -18.487 -20.331 1.00 24.13 C ATOM 1670 OXT ALA A 112 -20.195 -21.027 -22.517 1.00 0.00 O ATOM 0 H ALA A 112 -19.180 -20.296 -18.604 1.00 65.35 H new ATOM 0 HA ALA A 112 -21.237 -19.805 -20.617 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -19.733 -17.984 -21.288 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -20.098 -17.925 -19.547 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -18.526 -18.544 -20.106 1.00 24.13 H new