USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 THR OG1 : rot 40:sc= 0.0892 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 45 GLN : amide:sc= -0.0322 K(o=-0.032,f=-8.1!) USER MOD Single : A 47 GLN : amide:sc= -0.663 K(o=-0.66,f=-5.3!) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0722) USER MOD Single : A 54 THR OG1 : rot -41:sc= 0.243 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 162:sc= 0.518 USER MOD Single : A 61 GLN : amide:sc= 0.437 K(o=0.44,f=-0.11) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0.829 (180deg=0.821) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.0327 (180deg=-0.191) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= -2.51! (180deg=-2.68!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 89 SER OG : rot 170:sc= -0.315 USER MOD Single : A 93 SER OG : rot 180:sc= 0 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= -0.806 K(o=-0.81,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 557 N ARG A 38 -6.288 -6.718 -20.544 1.00 2.14 N ATOM 558 CA ARG A 38 -5.678 -8.023 -20.774 1.00 45.54 C ATOM 559 C ARG A 38 -5.451 -8.748 -19.448 1.00 2.05 C ATOM 560 O ARG A 38 -5.868 -8.263 -18.396 1.00 21.04 O ATOM 561 CB ARG A 38 -4.366 -7.866 -21.557 1.00 41.41 C ATOM 562 CG ARG A 38 -4.538 -7.271 -22.960 1.00 14.00 C ATOM 563 CD ARG A 38 -5.318 -8.193 -23.906 1.00 71.31 C ATOM 564 NE ARG A 38 -6.746 -8.286 -23.568 1.00 2.14 N ATOM 565 CZ ARG A 38 -7.595 -9.164 -24.110 1.00 52.02 C ATOM 566 NH1 ARG A 38 -7.175 -10.037 -25.019 1.00 34.34 N ATOM 567 NH2 ARG A 38 -8.868 -9.165 -23.743 1.00 41.24 N ATOM 0 HA ARG A 38 -6.357 -8.630 -21.373 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -3.689 -7.231 -20.986 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -3.889 -8.842 -21.645 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -5.056 -6.315 -22.883 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -3.556 -7.068 -23.386 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -5.215 -7.828 -24.928 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -4.878 -9.190 -23.878 1.00 71.31 H new ATOM 0 HE ARG A 38 -7.113 -7.636 -22.873 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -6.197 -10.041 -25.309 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -7.830 -10.703 -25.427 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -9.199 -8.496 -23.048 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -9.517 -9.835 -24.156 1.00 41.24 H new ATOM 581 N ARG A 39 -4.811 -9.922 -19.521 1.00 13.43 N ATOM 582 CA ARG A 39 -4.598 -10.807 -18.373 1.00 31.22 C ATOM 583 C ARG A 39 -5.915 -11.392 -17.855 1.00 12.54 C ATOM 584 O ARG A 39 -5.920 -12.308 -17.037 1.00 64.51 O ATOM 585 CB ARG A 39 -3.912 -10.069 -17.233 1.00 71.22 C ATOM 586 CG ARG A 39 -2.617 -9.364 -17.604 1.00 25.23 C ATOM 587 CD ARG A 39 -1.832 -8.978 -16.351 1.00 12.21 C ATOM 588 NE ARG A 39 -0.722 -8.067 -16.632 1.00 64.14 N ATOM 589 CZ ARG A 39 0.307 -7.858 -15.804 1.00 40.21 C ATOM 590 NH1 ARG A 39 0.404 -8.547 -14.670 1.00 72.51 N ATOM 591 NH2 ARG A 39 1.230 -6.961 -16.117 1.00 72.23 N ATOM 0 H ARG A 39 -4.422 -10.287 -20.391 1.00 13.43 H new ATOM 0 HA ARG A 39 -3.961 -11.619 -18.722 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -4.606 -9.331 -16.830 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -3.703 -10.781 -16.434 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -2.010 -10.015 -18.233 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -2.838 -8.472 -18.190 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -2.508 -8.509 -15.635 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -1.444 -9.881 -15.879 1.00 12.21 H new ATOM 0 HE ARG A 39 -0.734 -7.559 -17.516 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -0.308 -9.237 -14.430 1.00 72.51 H new ATOM 0 HH12 ARG A 39 1.190 -8.385 -14.041 1.00 72.51 H new ATOM 0 HH21 ARG A 39 1.154 -6.433 -16.986 1.00 72.23 H new ATOM 0 HH22 ARG A 39 2.017 -6.798 -15.489 1.00 72.23 H new ATOM 605 N THR A 40 -7.015 -10.852 -18.340 1.00 21.32 N ATOM 606 CA THR A 40 -8.340 -11.148 -17.813 1.00 31.44 C ATOM 607 C THR A 40 -8.774 -12.579 -18.126 1.00 32.23 C ATOM 608 O THR A 40 -8.734 -13.007 -19.280 1.00 70.14 O ATOM 609 CB THR A 40 -9.376 -10.156 -18.390 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.246 -10.102 -19.817 1.00 2.42 O ATOM 611 CG2 THR A 40 -9.190 -8.753 -17.813 1.00 5.33 C ATOM 0 H THR A 40 -7.019 -10.190 -19.116 1.00 21.32 H new ATOM 0 HA THR A 40 -8.289 -11.042 -16.729 1.00 31.44 H new ATOM 0 HB THR A 40 -10.370 -10.510 -18.115 1.00 25.32 H new ATOM 0 HG1 THR A 40 -9.084 -11.004 -20.165 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.935 -8.082 -18.241 1.00 5.33 H new ATOM 0 HG22 THR A 40 -9.310 -8.786 -16.730 1.00 5.33 H new ATOM 0 HG23 THR A 40 -8.192 -8.389 -18.056 1.00 5.33 H new ATOM 619 N LEU A 41 -9.182 -13.306 -17.088 1.00 51.33 N ATOM 620 CA LEU A 41 -9.742 -14.644 -17.244 1.00 34.14 C ATOM 621 C LEU A 41 -11.244 -14.540 -17.464 1.00 43.22 C ATOM 622 O LEU A 41 -11.997 -14.300 -16.518 1.00 22.33 O ATOM 623 CB LEU A 41 -9.458 -15.515 -16.002 1.00 61.14 C ATOM 624 CG LEU A 41 -8.083 -16.207 -15.952 1.00 40.42 C ATOM 625 CD1 LEU A 41 -6.948 -15.206 -16.143 1.00 4.32 C ATOM 626 CD2 LEU A 41 -7.919 -16.960 -14.634 1.00 50.44 C ATOM 0 H LEU A 41 -9.134 -12.985 -16.121 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.271 -15.117 -18.106 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.558 -14.889 -15.115 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.229 -16.282 -15.939 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.035 -16.921 -16.774 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -5.992 -15.728 -16.102 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.053 -14.717 -17.111 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.987 -14.457 -15.352 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -6.943 -17.445 -14.611 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -7.996 -16.259 -13.803 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -8.701 -17.714 -14.546 1.00 50.44 H new ATOM 638 N THR A 42 -11.674 -14.674 -18.712 1.00 31.45 N ATOM 639 CA THR A 42 -13.098 -14.711 -19.019 1.00 23.21 C ATOM 640 C THR A 42 -13.680 -16.049 -18.556 1.00 63.23 C ATOM 641 O THR A 42 -12.932 -16.929 -18.115 1.00 44.05 O ATOM 642 CB THR A 42 -13.372 -14.503 -20.531 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.781 -14.324 -20.751 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.874 -15.688 -21.356 1.00 34.51 C ATOM 0 H THR A 42 -11.062 -14.758 -19.523 1.00 31.45 H new ATOM 0 HA THR A 42 -13.581 -13.890 -18.488 1.00 23.21 H new ATOM 0 HB THR A 42 -12.831 -13.613 -20.851 1.00 20.41 H new ATOM 0 HG1 THR A 42 -14.949 -14.191 -21.707 1.00 73.40 H new ATOM 0 HG21 THR A 42 -13.082 -15.510 -22.411 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.800 -15.806 -21.212 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.384 -16.596 -21.034 1.00 34.51 H new ATOM 652 N GLU A 43 -14.997 -16.211 -18.679 1.00 15.15 N ATOM 653 CA GLU A 43 -15.683 -17.407 -18.177 1.00 71.31 C ATOM 654 C GLU A 43 -14.991 -18.679 -18.673 1.00 12.12 C ATOM 655 O GLU A 43 -14.776 -19.614 -17.905 1.00 32.21 O ATOM 656 CB GLU A 43 -17.155 -17.399 -18.615 1.00 43.41 C ATOM 657 CG GLU A 43 -18.009 -18.509 -17.994 1.00 4.44 C ATOM 658 CD GLU A 43 -18.150 -18.395 -16.479 1.00 44.01 C ATOM 659 OE1 GLU A 43 -18.635 -17.346 -16.001 1.00 43.34 O ATOM 660 OE2 GLU A 43 -17.812 -19.365 -15.764 1.00 20.13 O ATOM 0 H GLU A 43 -15.613 -15.530 -19.122 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.639 -17.395 -17.088 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.592 -16.434 -18.357 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.198 -17.489 -19.700 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -19.001 -18.489 -18.446 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -17.568 -19.475 -18.238 1.00 4.44 H new ATOM 667 N GLU A 44 -14.596 -18.687 -19.946 1.00 24.15 N ATOM 668 CA GLU A 44 -13.971 -19.864 -20.547 1.00 42.15 C ATOM 669 C GLU A 44 -12.656 -20.179 -19.835 1.00 51.42 C ATOM 670 O GLU A 44 -12.347 -21.334 -19.536 1.00 31.32 O ATOM 671 CB GLU A 44 -13.695 -19.631 -22.040 1.00 42.11 C ATOM 672 CG GLU A 44 -14.924 -19.247 -22.858 1.00 54.42 C ATOM 673 CD GLU A 44 -14.601 -19.080 -24.337 1.00 75.51 C ATOM 674 OE1 GLU A 44 -14.022 -18.037 -24.710 1.00 0.14 O ATOM 675 OE2 GLU A 44 -14.912 -19.998 -25.130 1.00 13.55 O ATOM 0 H GLU A 44 -14.698 -17.894 -20.579 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.657 -20.704 -20.441 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -12.947 -18.844 -22.140 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.262 -20.538 -22.462 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -15.691 -20.012 -22.739 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.340 -18.317 -22.471 1.00 54.42 H new ATOM 682 N GLN A 45 -11.905 -19.122 -19.548 1.00 31.04 N ATOM 683 CA GLN A 45 -10.580 -19.238 -18.953 1.00 14.15 C ATOM 684 C GLN A 45 -10.683 -19.626 -17.486 1.00 53.01 C ATOM 685 O GLN A 45 -9.835 -20.350 -16.965 1.00 14.13 O ATOM 686 CB GLN A 45 -9.824 -17.918 -19.109 1.00 51.21 C ATOM 687 CG GLN A 45 -9.695 -17.471 -20.558 1.00 30.54 C ATOM 688 CD GLN A 45 -9.015 -16.123 -20.698 1.00 41.25 C ATOM 689 OE1 GLN A 45 -9.678 -15.090 -20.731 1.00 64.40 O ATOM 690 NE2 GLN A 45 -7.694 -16.121 -20.765 1.00 1.34 N ATOM 0 H GLN A 45 -12.198 -18.161 -19.721 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.029 -20.023 -19.471 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.338 -17.143 -18.540 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.829 -18.023 -18.678 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -9.129 -18.218 -21.115 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -10.687 -17.421 -21.008 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -7.180 -17.002 -20.734 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.189 -15.239 -20.847 1.00 1.34 H new ATOM 699 N VAL A 46 -11.741 -19.166 -16.826 1.00 64.44 N ATOM 700 CA VAL A 46 -11.969 -19.516 -15.433 1.00 2.55 C ATOM 701 C VAL A 46 -12.280 -21.003 -15.346 1.00 12.42 C ATOM 702 O VAL A 46 -11.661 -21.738 -14.576 1.00 73.15 O ATOM 703 CB VAL A 46 -13.127 -18.698 -14.807 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.342 -19.090 -13.346 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.854 -17.201 -14.928 1.00 15.10 C ATOM 0 H VAL A 46 -12.449 -18.554 -17.232 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.067 -19.279 -14.869 1.00 2.55 H new ATOM 0 HB VAL A 46 -14.040 -18.926 -15.357 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.160 -18.503 -12.928 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.589 -20.150 -13.286 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.431 -18.898 -12.780 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.678 -16.644 -14.483 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.928 -16.957 -14.408 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.761 -16.932 -15.980 1.00 15.10 H new ATOM 715 N GLN A 47 -13.218 -21.438 -16.179 1.00 74.22 N ATOM 716 CA GLN A 47 -13.594 -22.845 -16.266 1.00 73.34 C ATOM 717 C GLN A 47 -12.399 -23.688 -16.707 1.00 25.01 C ATOM 718 O GLN A 47 -12.271 -24.850 -16.321 1.00 54.32 O ATOM 719 CB GLN A 47 -14.756 -23.010 -17.253 1.00 71.34 C ATOM 720 CG GLN A 47 -15.981 -22.168 -16.908 1.00 23.23 C ATOM 721 CD GLN A 47 -16.768 -22.692 -15.714 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.221 -23.317 -14.805 1.00 4.54 O ATOM 723 NE2 GLN A 47 -18.063 -22.427 -15.710 1.00 3.44 N ATOM 0 H GLN A 47 -13.738 -20.829 -16.811 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.912 -23.189 -15.282 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.412 -22.743 -18.252 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -15.046 -24.060 -17.286 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.662 -21.146 -16.702 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.639 -22.127 -17.776 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.479 -21.906 -16.482 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.646 -22.743 -14.935 1.00 3.44 H new ATOM 732 N GLU A 48 -11.529 -23.091 -17.520 1.00 35.04 N ATOM 733 CA GLU A 48 -10.303 -23.745 -17.963 1.00 64.51 C ATOM 734 C GLU A 48 -9.380 -24.015 -16.776 1.00 55.04 C ATOM 735 O GLU A 48 -8.840 -25.116 -16.635 1.00 73.40 O ATOM 736 CB GLU A 48 -9.600 -22.885 -19.029 1.00 43.20 C ATOM 737 CG GLU A 48 -8.077 -22.874 -18.936 1.00 42.23 C ATOM 738 CD GLU A 48 -7.419 -22.246 -20.152 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.286 -21.007 -20.193 1.00 51.14 O ATOM 740 OE2 GLU A 48 -7.027 -22.997 -21.076 1.00 52.21 O ATOM 0 H GLU A 48 -11.654 -22.147 -17.887 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.558 -24.705 -18.412 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.888 -23.247 -20.016 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -9.963 -21.860 -18.947 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.776 -22.327 -18.042 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.717 -23.896 -18.821 1.00 42.23 H new ATOM 747 N VAL A 49 -9.212 -23.010 -15.923 1.00 34.21 N ATOM 748 CA VAL A 49 -8.408 -23.160 -14.716 1.00 32.22 C ATOM 749 C VAL A 49 -9.012 -24.233 -13.818 1.00 34.13 C ATOM 750 O VAL A 49 -8.299 -25.074 -13.274 1.00 25.13 O ATOM 751 CB VAL A 49 -8.287 -21.826 -13.932 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.525 -22.027 -12.622 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.611 -20.761 -14.785 1.00 71.11 C ATOM 0 H VAL A 49 -9.622 -22.084 -16.045 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.405 -23.458 -15.023 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.294 -21.486 -13.689 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.455 -21.077 -12.093 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.054 -22.750 -12.001 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.523 -22.397 -12.837 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.536 -19.834 -14.217 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.612 -21.098 -15.064 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.200 -20.588 -15.686 1.00 71.11 H new ATOM 763 N VAL A 50 -10.331 -24.215 -13.692 1.00 60.22 N ATOM 764 CA VAL A 50 -11.042 -25.198 -12.879 1.00 11.40 C ATOM 765 C VAL A 50 -10.940 -26.590 -13.515 1.00 72.34 C ATOM 766 O VAL A 50 -10.897 -27.607 -12.817 1.00 53.42 O ATOM 767 CB VAL A 50 -12.529 -24.784 -12.691 1.00 41.25 C ATOM 768 CG1 VAL A 50 -13.230 -25.668 -11.670 1.00 15.52 C ATOM 769 CG2 VAL A 50 -12.615 -23.314 -12.303 1.00 15.52 C ATOM 0 H VAL A 50 -10.935 -23.528 -14.144 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.576 -25.235 -11.895 1.00 11.40 H new ATOM 0 HB VAL A 50 -13.047 -24.923 -13.640 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -14.267 -25.350 -11.564 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -13.201 -26.705 -12.005 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -12.725 -25.584 -10.708 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -13.660 -23.032 -12.173 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.077 -23.152 -11.369 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -12.170 -22.704 -13.089 1.00 15.52 H new ATOM 779 N ALA A 51 -10.862 -26.616 -14.844 1.00 31.45 N ATOM 780 CA ALA A 51 -10.707 -27.860 -15.593 1.00 42.34 C ATOM 781 C ALA A 51 -9.321 -28.459 -15.371 1.00 31.41 C ATOM 782 O ALA A 51 -9.169 -29.674 -15.274 1.00 25.24 O ATOM 783 CB ALA A 51 -10.949 -27.623 -17.081 1.00 44.10 C ATOM 0 H ALA A 51 -10.904 -25.781 -15.428 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.450 -28.569 -15.228 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.829 -28.561 -17.623 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.960 -27.245 -17.229 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.230 -26.894 -17.455 1.00 44.10 H new ATOM 789 N LYS A 52 -8.309 -27.599 -15.308 1.00 53.45 N ATOM 790 CA LYS A 52 -6.941 -28.040 -15.033 1.00 42.14 C ATOM 791 C LYS A 52 -6.761 -28.350 -13.552 1.00 3.33 C ATOM 792 O LYS A 52 -5.981 -29.225 -13.177 1.00 33.40 O ATOM 793 CB LYS A 52 -5.930 -26.981 -15.498 1.00 40.33 C ATOM 794 CG LYS A 52 -5.658 -27.011 -17.001 1.00 30.34 C ATOM 795 CD LYS A 52 -4.883 -28.269 -17.404 1.00 44.14 C ATOM 796 CE LYS A 52 -4.700 -28.377 -18.916 1.00 31.32 C ATOM 797 NZ LYS A 52 -5.988 -28.627 -19.616 1.00 11.24 N ATOM 0 H LYS A 52 -8.408 -26.593 -15.443 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.756 -28.957 -15.593 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -6.300 -25.993 -15.224 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -4.991 -27.129 -14.965 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -6.602 -26.974 -17.544 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -5.091 -26.125 -17.287 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -3.906 -28.261 -16.922 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -5.411 -29.150 -17.040 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -4.254 -27.457 -19.294 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -4.003 -29.184 -19.140 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -5.803 -28.845 -20.616 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -6.475 -29.431 -19.171 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -6.588 -27.780 -19.551 1.00 11.24 H new ATOM 811 N LEU A 53 -7.499 -27.633 -12.716 1.00 5.45 N ATOM 812 CA LEU A 53 -7.468 -27.853 -11.273 1.00 72.44 C ATOM 813 C LEU A 53 -7.998 -29.242 -10.921 1.00 43.14 C ATOM 814 O LEU A 53 -7.586 -29.837 -9.924 1.00 30.51 O ATOM 815 CB LEU A 53 -8.275 -26.771 -10.538 1.00 61.32 C ATOM 816 CG LEU A 53 -7.511 -25.477 -10.213 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.387 -24.535 -9.402 1.00 3.31 C ATOM 818 CD2 LEU A 53 -6.216 -25.783 -9.465 1.00 15.34 C ATOM 0 H LEU A 53 -8.131 -26.889 -13.013 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.430 -27.790 -10.948 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -9.144 -26.516 -11.145 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.651 -27.194 -9.606 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.251 -24.988 -11.152 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.832 -23.623 -9.180 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.280 -24.286 -9.974 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -8.677 -25.020 -8.470 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.693 -24.852 -9.246 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -6.447 -26.297 -8.532 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.581 -26.419 -10.082 1.00 15.34 H new ATOM 830 N THR A 54 -8.912 -29.760 -11.742 1.00 2.31 N ATOM 831 CA THR A 54 -9.450 -31.100 -11.526 1.00 74.25 C ATOM 832 C THR A 54 -8.513 -32.150 -12.137 1.00 12.24 C ATOM 833 O THR A 54 -8.847 -33.337 -12.198 1.00 11.50 O ATOM 834 CB THR A 54 -10.895 -31.253 -12.088 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.516 -32.432 -11.550 1.00 2.43 O ATOM 836 CG2 THR A 54 -10.912 -31.330 -13.609 1.00 33.32 C ATOM 0 H THR A 54 -9.292 -29.276 -12.555 1.00 2.31 H new ATOM 0 HA THR A 54 -9.511 -31.260 -10.450 1.00 74.25 H new ATOM 0 HB THR A 54 -11.451 -30.366 -11.785 1.00 54.25 H new ATOM 0 HG1 THR A 54 -10.866 -33.165 -11.532 1.00 2.43 H new ATOM 0 HG21 THR A 54 -11.940 -31.436 -13.956 1.00 33.32 H new ATOM 0 HG22 THR A 54 -10.481 -30.419 -14.024 1.00 33.32 H new ATOM 0 HG23 THR A 54 -10.328 -32.190 -13.936 1.00 33.32 H new ATOM 844 N ASP A 55 -7.337 -31.702 -12.588 1.00 13.25 N ATOM 845 CA ASP A 55 -6.249 -32.600 -12.978 1.00 1.54 C ATOM 846 C ASP A 55 -5.154 -32.541 -11.906 1.00 20.51 C ATOM 847 O ASP A 55 -4.121 -31.888 -12.091 1.00 75.23 O ATOM 848 CB ASP A 55 -5.656 -32.221 -14.353 1.00 3.22 C ATOM 849 CG ASP A 55 -6.613 -32.443 -15.520 1.00 40.30 C ATOM 850 OD1 ASP A 55 -6.979 -33.610 -15.783 1.00 74.12 O ATOM 851 OD2 ASP A 55 -6.973 -31.459 -16.208 1.00 52.23 O ATOM 0 H ASP A 55 -7.115 -30.712 -12.692 1.00 13.25 H new ATOM 0 HA ASP A 55 -6.648 -33.611 -13.063 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -5.359 -31.172 -14.333 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -4.751 -32.805 -14.521 1.00 3.22 H new ATOM 856 N PRO A 56 -5.364 -33.222 -10.757 1.00 62.43 N ATOM 857 CA PRO A 56 -4.490 -33.086 -9.580 1.00 43.13 C ATOM 858 C PRO A 56 -3.077 -33.593 -9.848 1.00 2.34 C ATOM 859 O PRO A 56 -2.123 -33.177 -9.189 1.00 53.10 O ATOM 860 CB PRO A 56 -5.183 -33.944 -8.510 1.00 74.10 C ATOM 861 CG PRO A 56 -5.993 -34.926 -9.283 1.00 74.41 C ATOM 862 CD PRO A 56 -6.447 -34.195 -10.519 1.00 55.11 C ATOM 0 HA PRO A 56 -4.365 -32.044 -9.285 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -4.456 -34.445 -7.872 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -5.812 -33.336 -7.860 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -5.401 -35.804 -9.542 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -6.845 -35.276 -8.700 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -6.571 -34.873 -11.364 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -7.405 -33.700 -10.364 1.00 55.11 H new ATOM 870 N GLU A 57 -2.955 -34.489 -10.825 1.00 53.21 N ATOM 871 CA GLU A 57 -1.662 -35.050 -11.200 1.00 31.20 C ATOM 872 C GLU A 57 -0.691 -33.929 -11.576 1.00 11.32 C ATOM 873 O GLU A 57 0.480 -33.941 -11.188 1.00 40.10 O ATOM 874 CB GLU A 57 -1.829 -36.021 -12.377 1.00 11.23 C ATOM 875 CG GLU A 57 -0.613 -36.907 -12.623 1.00 74.52 C ATOM 876 CD GLU A 57 -0.380 -37.903 -11.495 1.00 43.42 C ATOM 877 OE1 GLU A 57 -1.028 -38.973 -11.499 1.00 15.41 O ATOM 878 OE2 GLU A 57 0.437 -37.616 -10.593 1.00 10.41 O ATOM 0 H GLU A 57 -3.740 -34.842 -11.372 1.00 53.21 H new ATOM 0 HA GLU A 57 -1.256 -35.596 -10.349 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -2.697 -36.654 -12.193 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.038 -35.449 -13.281 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -0.745 -37.448 -13.560 1.00 74.52 H new ATOM 0 HG3 GLU A 57 0.272 -36.281 -12.739 1.00 74.52 H new ATOM 885 N SER A 58 -1.202 -32.953 -12.325 1.00 43.04 N ATOM 886 CA SER A 58 -0.412 -31.806 -12.745 1.00 14.11 C ATOM 887 C SER A 58 -0.076 -30.929 -11.540 1.00 64.34 C ATOM 888 O SER A 58 1.074 -30.537 -11.350 1.00 15.34 O ATOM 889 CB SER A 58 -1.179 -31.005 -13.804 1.00 53.34 C ATOM 890 OG SER A 58 -1.560 -31.838 -14.889 1.00 0.11 O ATOM 0 H SER A 58 -2.168 -32.938 -12.653 1.00 43.04 H new ATOM 0 HA SER A 58 0.522 -32.155 -13.184 1.00 14.11 H new ATOM 0 HB2 SER A 58 -2.065 -30.556 -13.356 1.00 53.34 H new ATOM 0 HB3 SER A 58 -0.557 -30.187 -14.168 1.00 53.34 H new ATOM 0 HG SER A 58 -2.049 -31.308 -15.552 1.00 0.11 H new ATOM 896 N SER A 59 -1.088 -30.657 -10.715 1.00 11.31 N ATOM 897 CA SER A 59 -0.925 -29.816 -9.528 1.00 64.13 C ATOM 898 C SER A 59 0.222 -30.327 -8.653 1.00 74.10 C ATOM 899 O SER A 59 1.120 -29.572 -8.268 1.00 53.43 O ATOM 900 CB SER A 59 -2.238 -29.784 -8.725 1.00 5.10 C ATOM 901 OG SER A 59 -2.123 -28.982 -7.564 1.00 31.55 O ATOM 0 H SER A 59 -2.036 -31.010 -10.849 1.00 11.31 H new ATOM 0 HA SER A 59 -0.680 -28.804 -9.850 1.00 64.13 H new ATOM 0 HB2 SER A 59 -3.040 -29.399 -9.355 1.00 5.10 H new ATOM 0 HB3 SER A 59 -2.515 -30.799 -8.440 1.00 5.10 H new ATOM 0 HG SER A 59 -3.017 -28.743 -7.241 1.00 31.55 H new ATOM 907 N ALA A 60 0.210 -31.624 -8.382 1.00 52.35 N ATOM 908 CA ALA A 60 1.198 -32.239 -7.506 1.00 44.05 C ATOM 909 C ALA A 60 2.577 -32.319 -8.168 1.00 65.01 C ATOM 910 O ALA A 60 3.572 -32.612 -7.502 1.00 55.43 O ATOM 911 CB ALA A 60 0.728 -33.629 -7.087 1.00 33.33 C ATOM 0 H ALA A 60 -0.478 -32.275 -8.759 1.00 52.35 H new ATOM 0 HA ALA A 60 1.298 -31.609 -6.622 1.00 44.05 H new ATOM 0 HB1 ALA A 60 1.472 -34.083 -6.432 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -0.221 -33.548 -6.557 1.00 33.33 H new ATOM 0 HB3 ALA A 60 0.597 -34.251 -7.972 1.00 33.33 H new ATOM 917 N GLN A 61 2.639 -32.054 -9.473 1.00 51.35 N ATOM 918 CA GLN A 61 3.884 -32.213 -10.225 1.00 31.01 C ATOM 919 C GLN A 61 4.487 -30.865 -10.636 1.00 42.21 C ATOM 920 O GLN A 61 5.702 -30.760 -10.821 1.00 61.11 O ATOM 921 CB GLN A 61 3.625 -33.079 -11.468 1.00 62.35 C ATOM 922 CG GLN A 61 4.879 -33.419 -12.265 1.00 12.53 C ATOM 923 CD GLN A 61 5.914 -34.172 -11.443 1.00 33.44 C ATOM 924 OE1 GLN A 61 5.916 -35.404 -11.397 1.00 35.13 O ATOM 925 NE2 GLN A 61 6.799 -33.439 -10.786 1.00 62.21 N ATOM 0 H GLN A 61 1.847 -31.730 -10.029 1.00 51.35 H new ATOM 0 HA GLN A 61 4.608 -32.704 -9.574 1.00 31.01 H new ATOM 0 HB2 GLN A 61 3.143 -34.006 -11.157 1.00 62.35 H new ATOM 0 HB3 GLN A 61 2.924 -32.558 -12.120 1.00 62.35 H new ATOM 0 HG2 GLN A 61 4.602 -34.020 -13.131 1.00 12.53 H new ATOM 0 HG3 GLN A 61 5.323 -32.499 -12.645 1.00 12.53 H new ATOM 0 HE21 GLN A 61 6.766 -32.421 -10.849 1.00 62.21 H new ATOM 0 HE22 GLN A 61 7.514 -33.892 -10.217 1.00 62.21 H new ATOM 934 N ILE A 62 3.655 -29.829 -10.750 1.00 4.23 N ATOM 935 CA ILE A 62 4.135 -28.515 -11.191 1.00 32.12 C ATOM 936 C ILE A 62 5.027 -27.868 -10.131 1.00 0.54 C ATOM 937 O ILE A 62 6.067 -27.291 -10.454 1.00 12.44 O ATOM 938 CB ILE A 62 2.975 -27.546 -11.550 1.00 60.44 C ATOM 939 CG1 ILE A 62 2.011 -27.367 -10.361 1.00 42.11 C ATOM 940 CG2 ILE A 62 2.230 -28.038 -12.789 1.00 4.10 C ATOM 941 CD1 ILE A 62 0.902 -26.364 -10.613 1.00 43.34 C ATOM 0 H ILE A 62 2.656 -29.871 -10.546 1.00 4.23 H new ATOM 0 HA ILE A 62 4.717 -28.694 -12.095 1.00 32.12 H new ATOM 0 HB ILE A 62 3.406 -26.570 -11.775 1.00 60.44 H new ATOM 0 HG12 ILE A 62 1.566 -28.332 -10.118 1.00 42.11 H new ATOM 0 HG13 ILE A 62 2.582 -27.051 -9.488 1.00 42.11 H new ATOM 0 HG21 ILE A 62 1.421 -27.347 -13.025 1.00 4.10 H new ATOM 0 HG22 ILE A 62 2.920 -28.091 -13.631 1.00 4.10 H new ATOM 0 HG23 ILE A 62 1.817 -29.028 -12.596 1.00 4.10 H new ATOM 0 HD11 ILE A 62 0.267 -26.295 -9.730 1.00 43.34 H new ATOM 0 HD12 ILE A 62 1.336 -25.387 -10.825 1.00 43.34 H new ATOM 0 HD13 ILE A 62 0.305 -26.688 -11.465 1.00 43.34 H new ATOM 953 N ASP A 63 4.621 -27.976 -8.869 1.00 4.21 N ATOM 954 CA ASP A 63 5.392 -27.407 -7.759 1.00 24.12 C ATOM 955 C ASP A 63 5.999 -28.516 -6.902 1.00 32.11 C ATOM 956 O ASP A 63 6.905 -28.278 -6.102 1.00 51.03 O ATOM 957 CB ASP A 63 4.495 -26.504 -6.898 1.00 63.41 C ATOM 958 CG ASP A 63 5.275 -25.741 -5.835 1.00 3.22 C ATOM 959 OD1 ASP A 63 5.972 -24.762 -6.191 1.00 1.22 O ATOM 960 OD2 ASP A 63 5.204 -26.114 -4.644 1.00 51.45 O ATOM 0 H ASP A 63 3.764 -28.451 -8.586 1.00 4.21 H new ATOM 0 HA ASP A 63 6.203 -26.808 -8.174 1.00 24.12 H new ATOM 0 HB2 ASP A 63 3.977 -25.794 -7.542 1.00 63.41 H new ATOM 0 HB3 ASP A 63 3.731 -27.113 -6.415 1.00 63.41 H new ATOM 965 N GLY A 64 5.512 -29.737 -7.102 1.00 4.34 N ATOM 966 CA GLY A 64 5.987 -30.880 -6.337 1.00 4.15 C ATOM 967 C GLY A 64 5.265 -31.024 -5.010 1.00 21.32 C ATOM 968 O GLY A 64 5.490 -31.985 -4.272 1.00 74.55 O ATOM 0 H GLY A 64 4.789 -29.958 -7.787 1.00 4.34 H new ATOM 0 HA2 GLY A 64 5.850 -31.789 -6.923 1.00 4.15 H new ATOM 0 HA3 GLY A 64 7.057 -30.775 -6.157 1.00 4.15 H new ATOM 972 N VAL A 65 4.391 -30.067 -4.713 1.00 53.23 N ATOM 973 CA VAL A 65 3.584 -30.088 -3.498 1.00 5.12 C ATOM 974 C VAL A 65 2.135 -29.758 -3.838 1.00 22.24 C ATOM 975 O VAL A 65 1.839 -28.665 -4.322 1.00 34.45 O ATOM 976 CB VAL A 65 4.102 -29.078 -2.438 1.00 20.52 C ATOM 977 CG1 VAL A 65 3.219 -29.098 -1.188 1.00 63.22 C ATOM 978 CG2 VAL A 65 5.557 -29.365 -2.073 1.00 11.54 C ATOM 0 H VAL A 65 4.222 -29.256 -5.308 1.00 53.23 H new ATOM 0 HA VAL A 65 3.656 -31.089 -3.074 1.00 5.12 H new ATOM 0 HB VAL A 65 4.053 -28.081 -2.875 1.00 20.52 H new ATOM 0 HG11 VAL A 65 3.602 -28.382 -0.460 1.00 63.22 H new ATOM 0 HG12 VAL A 65 2.198 -28.829 -1.459 1.00 63.22 H new ATOM 0 HG13 VAL A 65 3.227 -30.097 -0.753 1.00 63.22 H new ATOM 0 HG21 VAL A 65 5.895 -28.643 -1.329 1.00 11.54 H new ATOM 0 HG22 VAL A 65 5.638 -30.372 -1.664 1.00 11.54 H new ATOM 0 HG23 VAL A 65 6.179 -29.285 -2.965 1.00 11.54 H new ATOM 988 N VAL A 66 1.240 -30.708 -3.602 1.00 30.32 N ATOM 989 CA VAL A 66 -0.178 -30.498 -3.860 1.00 1.42 C ATOM 990 C VAL A 66 -0.826 -29.757 -2.688 1.00 32.13 C ATOM 991 O VAL A 66 -0.987 -30.306 -1.594 1.00 51.15 O ATOM 992 CB VAL A 66 -0.918 -31.837 -4.140 1.00 14.41 C ATOM 993 CG1 VAL A 66 -0.688 -32.852 -3.020 1.00 5.23 C ATOM 994 CG2 VAL A 66 -2.412 -31.599 -4.370 1.00 34.45 C ATOM 0 H VAL A 66 1.470 -31.630 -3.233 1.00 30.32 H new ATOM 0 HA VAL A 66 -0.265 -29.885 -4.757 1.00 1.42 H new ATOM 0 HB VAL A 66 -0.499 -32.259 -5.053 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -1.220 -33.775 -3.250 1.00 5.23 H new ATOM 0 HG12 VAL A 66 0.378 -33.060 -2.931 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -1.058 -32.445 -2.079 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -2.906 -32.551 -4.564 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -2.848 -31.137 -3.484 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -2.548 -30.939 -5.227 1.00 34.45 H new ATOM 1004 N SER A 67 -1.149 -28.494 -2.916 1.00 53.53 N ATOM 1005 CA SER A 67 -1.808 -27.661 -1.921 1.00 63.30 C ATOM 1006 C SER A 67 -2.851 -26.784 -2.605 1.00 25.11 C ATOM 1007 O SER A 67 -2.832 -26.643 -3.824 1.00 45.11 O ATOM 1008 CB SER A 67 -0.769 -26.803 -1.186 1.00 44.10 C ATOM 1009 OG SER A 67 0.041 -26.082 -2.100 1.00 1.41 O ATOM 0 H SER A 67 -0.962 -28.016 -3.797 1.00 53.53 H new ATOM 0 HA SER A 67 -2.309 -28.292 -1.187 1.00 63.30 H new ATOM 0 HB2 SER A 67 -1.276 -26.107 -0.518 1.00 44.10 H new ATOM 0 HB3 SER A 67 -0.141 -27.441 -0.565 1.00 44.10 H new ATOM 0 HG SER A 67 0.693 -25.543 -1.605 1.00 1.41 H new ATOM 1015 N LYS A 68 -3.754 -26.188 -1.829 1.00 41.35 N ATOM 1016 CA LYS A 68 -4.835 -25.379 -2.390 1.00 53.40 C ATOM 1017 C LYS A 68 -4.290 -24.135 -3.087 1.00 61.41 C ATOM 1018 O LYS A 68 -4.966 -23.535 -3.928 1.00 72.23 O ATOM 1019 CB LYS A 68 -5.895 -25.029 -1.332 1.00 10.32 C ATOM 1020 CG LYS A 68 -7.298 -25.475 -1.749 1.00 71.13 C ATOM 1021 CD LYS A 68 -7.299 -26.951 -2.162 1.00 22.42 C ATOM 1022 CE LYS A 68 -8.514 -27.327 -3.002 1.00 22.41 C ATOM 1023 NZ LYS A 68 -8.317 -28.636 -3.679 1.00 5.02 N ATOM 0 H LYS A 68 -3.759 -26.250 -0.811 1.00 41.35 H new ATOM 0 HA LYS A 68 -5.336 -25.981 -3.147 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -5.632 -25.502 -0.386 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -5.894 -23.952 -1.161 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -7.993 -25.323 -0.923 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -7.649 -24.860 -2.578 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -6.392 -27.167 -2.726 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -7.274 -27.574 -1.268 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -9.398 -27.373 -2.366 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -8.697 -26.553 -3.748 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -9.138 -28.841 -4.283 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -7.458 -28.599 -4.264 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -8.217 -29.385 -2.964 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.069 -23.743 -2.716 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.323 -22.704 -3.439 1.00 73.13 C ATOM 1039 C ASP A 69 -2.312 -22.991 -4.949 1.00 2.11 C ATOM 1040 O ASP A 69 -2.035 -22.103 -5.757 1.00 71.50 O ATOM 1041 CB ASP A 69 -0.875 -22.629 -2.928 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.786 -22.248 -1.460 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -0.967 -23.134 -0.602 1.00 53.11 O ATOM 1044 OD2 ASP A 69 -0.523 -21.065 -1.158 1.00 3.03 O ATOM 0 H ASP A 69 -2.571 -24.131 -1.914 1.00 15.13 H new ATOM 0 HA ASP A 69 -2.821 -21.751 -3.261 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.392 -23.594 -3.078 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -0.323 -21.900 -3.522 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.647 -24.234 -5.309 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.675 -24.687 -6.698 1.00 21.21 C ATOM 1051 C GLU A 70 -3.539 -23.761 -7.554 1.00 20.22 C ATOM 1052 O GLU A 70 -3.168 -23.432 -8.685 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.253 -26.115 -6.752 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.688 -26.213 -6.221 1.00 54.45 C ATOM 1055 CD GLU A 70 -5.209 -27.641 -6.099 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -4.987 -28.445 -7.028 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -5.868 -27.957 -5.078 1.00 33.23 O ATOM 0 H GLU A 70 -2.908 -24.957 -4.638 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.658 -24.675 -7.091 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -3.230 -26.469 -7.783 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -2.613 -26.780 -6.172 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.736 -25.735 -5.242 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.348 -25.652 -6.882 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.661 -23.310 -6.993 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.599 -22.474 -7.727 1.00 21.42 C ATOM 1066 C ILE A 71 -4.871 -21.255 -8.293 1.00 5.33 C ATOM 1067 O ILE A 71 -4.974 -20.949 -9.481 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.779 -22.006 -6.829 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.491 -23.207 -6.163 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.777 -21.194 -7.654 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.542 -22.808 -5.147 1.00 41.44 C ATOM 0 H ILE A 71 -4.939 -23.512 -6.032 1.00 21.23 H new ATOM 0 HA ILE A 71 -6.012 -23.072 -8.539 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.371 -21.377 -6.038 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -7.960 -23.815 -6.937 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.745 -23.834 -5.674 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.599 -20.871 -7.016 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.278 -20.320 -8.072 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.167 -21.811 -8.464 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -8.997 -23.703 -4.723 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.077 -22.226 -4.351 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.310 -22.207 -5.634 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.092 -20.599 -7.435 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.366 -19.389 -7.812 1.00 53.51 C ATOM 1085 C GLU A 72 -2.332 -19.682 -8.902 1.00 55.15 C ATOM 1086 O GLU A 72 -2.204 -18.926 -9.868 1.00 64.43 O ATOM 1087 CB GLU A 72 -2.676 -18.777 -6.588 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.579 -18.672 -5.365 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.002 -17.776 -4.281 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -2.082 -18.221 -3.560 1.00 52.10 O ATOM 1091 OE2 GLU A 72 -3.459 -16.620 -4.149 1.00 15.35 O ATOM 0 H GLU A 72 -3.947 -20.888 -6.468 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.089 -18.676 -8.208 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -1.804 -19.380 -6.334 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.312 -17.783 -6.846 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -4.552 -18.286 -5.670 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -3.746 -19.668 -4.956 1.00 33.15 H new ATOM 1098 N LYS A 73 -1.599 -20.787 -8.743 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.561 -21.173 -9.704 1.00 45.24 C ATOM 1100 C LYS A 73 -1.150 -21.374 -11.100 1.00 24.45 C ATOM 1101 O LYS A 73 -0.576 -20.921 -12.095 1.00 4.23 O ATOM 1102 CB LYS A 73 0.177 -22.450 -9.246 1.00 73.41 C ATOM 1103 CG LYS A 73 1.296 -22.203 -8.230 1.00 61.01 C ATOM 1104 CD LYS A 73 0.783 -21.606 -6.922 1.00 25.10 C ATOM 1105 CE LYS A 73 1.913 -21.356 -5.925 1.00 44.05 C ATOM 1106 NZ LYS A 73 2.932 -20.406 -6.455 1.00 4.13 N ATOM 0 H LYS A 73 -1.705 -21.430 -7.958 1.00 41.33 H new ATOM 0 HA LYS A 73 0.161 -20.358 -9.749 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.548 -23.138 -8.810 1.00 73.41 H new ATOM 0 HB3 LYS A 73 0.599 -22.945 -10.121 1.00 73.41 H new ATOM 0 HG2 LYS A 73 1.805 -23.144 -8.020 1.00 61.01 H new ATOM 0 HG3 LYS A 73 2.035 -21.531 -8.666 1.00 61.01 H new ATOM 0 HD2 LYS A 73 0.268 -20.668 -7.129 1.00 25.10 H new ATOM 0 HD3 LYS A 73 0.051 -22.280 -6.478 1.00 25.10 H new ATOM 0 HE2 LYS A 73 1.497 -20.960 -4.999 1.00 44.05 H new ATOM 0 HE3 LYS A 73 2.394 -22.303 -5.679 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 3.564 -20.109 -5.684 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 3.489 -20.874 -7.198 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 2.455 -19.572 -6.853 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.295 -22.052 -11.171 1.00 11.22 N ATOM 1121 CA PHE A 74 -2.963 -22.280 -12.452 1.00 22.20 C ATOM 1122 C PHE A 74 -3.530 -20.975 -13.017 1.00 73.02 C ATOM 1123 O PHE A 74 -3.470 -20.739 -14.223 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.069 -23.338 -12.316 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.548 -24.758 -12.246 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -3.190 -25.330 -11.033 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -3.417 -25.520 -13.398 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -2.715 -26.626 -10.972 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -2.941 -26.818 -13.341 1.00 73.32 C ATOM 1130 CZ PHE A 74 -2.590 -27.370 -12.126 1.00 62.40 C ATOM 0 H PHE A 74 -2.776 -22.450 -10.364 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.218 -22.656 -13.153 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.651 -23.129 -11.418 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.749 -23.251 -13.164 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -3.284 -24.754 -10.124 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -3.690 -25.094 -14.352 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -2.442 -27.056 -10.020 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -2.844 -27.399 -14.247 1.00 73.32 H new ATOM 0 HZ PHE A 74 -2.218 -28.383 -12.079 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.066 -20.123 -12.144 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.612 -18.831 -12.568 1.00 31.44 C ATOM 1142 C ILE A 75 -3.534 -17.960 -13.220 1.00 22.43 C ATOM 1143 O ILE A 75 -3.726 -17.433 -14.320 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.248 -18.066 -11.376 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.505 -18.798 -10.879 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.583 -16.625 -11.762 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.103 -18.203 -9.623 1.00 30.54 C ATOM 0 H ILE A 75 -4.135 -20.302 -11.142 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.389 -19.040 -13.303 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.519 -18.035 -10.566 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.256 -18.786 -11.668 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.255 -19.842 -10.692 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.027 -16.113 -10.908 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -4.672 -16.107 -12.062 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.289 -16.626 -12.592 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -7.986 -18.773 -9.335 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.369 -18.239 -8.818 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.386 -17.167 -9.810 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.395 -17.825 -12.545 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.304 -16.985 -13.039 1.00 4.04 C ATOM 1161 C ALA A 76 -0.831 -17.450 -14.410 1.00 21.11 C ATOM 1162 O ALA A 76 -0.425 -16.638 -15.245 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.149 -16.980 -12.046 1.00 5.44 C ATOM 0 H ALA A 76 -2.202 -18.285 -11.655 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.679 -15.967 -13.143 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.656 -16.351 -12.427 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.494 -16.588 -11.089 1.00 5.44 H new ATOM 0 HB3 ALA A 76 0.219 -17.997 -11.911 1.00 5.44 H new ATOM 1169 N ASP A 77 -0.918 -18.757 -14.638 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.489 -19.361 -15.899 1.00 42.01 C ATOM 1171 C ASP A 77 -1.281 -18.796 -17.076 1.00 61.43 C ATOM 1172 O ASP A 77 -0.792 -18.754 -18.207 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.661 -20.884 -15.843 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.133 -21.580 -17.089 1.00 43.21 C ATOM 1175 OD1 ASP A 77 1.103 -21.673 -17.245 1.00 31.32 O ATOM 1176 OD2 ASP A 77 -0.952 -22.033 -17.921 1.00 14.33 O ATOM 0 H ASP A 77 -1.285 -19.425 -13.960 1.00 61.03 H new ATOM 0 HA ASP A 77 0.564 -19.122 -16.045 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.142 -21.272 -14.967 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.717 -21.122 -15.719 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.494 -18.330 -16.794 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.394 -17.815 -17.824 1.00 54.41 C ATOM 1183 C VAL A 78 -3.101 -16.332 -18.103 1.00 22.23 C ATOM 1184 O VAL A 78 -3.999 -15.544 -18.407 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.869 -18.003 -17.393 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.823 -17.799 -18.573 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.064 -19.385 -16.768 1.00 24.11 C ATOM 0 H VAL A 78 -2.880 -18.298 -15.851 1.00 0.21 H new ATOM 0 HA VAL A 78 -3.226 -18.377 -18.742 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.105 -17.246 -16.646 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.851 -17.938 -18.238 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.703 -16.790 -18.968 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.595 -18.524 -19.355 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.105 -19.505 -16.469 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.804 -20.154 -17.496 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.422 -19.482 -15.893 1.00 24.11 H new ATOM 1197 N THR A 79 -1.822 -15.968 -17.993 1.00 30.41 N ATOM 1198 CA THR A 79 -1.350 -14.614 -18.286 1.00 54.12 C ATOM 1199 C THR A 79 -1.904 -13.608 -17.270 1.00 71.50 C ATOM 1200 O THR A 79 -1.846 -12.395 -17.474 1.00 33.50 O ATOM 1201 CB THR A 79 -1.740 -14.187 -19.726 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.459 -15.263 -20.636 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.977 -12.940 -20.176 1.00 22.22 C ATOM 0 H THR A 79 -1.083 -16.606 -17.697 1.00 30.41 H new ATOM 0 HA THR A 79 -0.263 -14.621 -18.210 1.00 54.12 H new ATOM 0 HB THR A 79 -2.804 -13.952 -19.727 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.707 -14.995 -21.546 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.279 -12.674 -21.189 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.201 -12.113 -19.502 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.094 -13.142 -20.158 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.406 -14.118 -16.150 1.00 61.35 N ATOM 1212 CA LYS A 80 -2.931 -13.257 -15.099 1.00 2.22 C ATOM 1213 C LYS A 80 -1.783 -12.606 -14.337 1.00 73.41 C ATOM 1214 O LYS A 80 -1.882 -11.446 -13.928 1.00 21.42 O ATOM 1215 CB LYS A 80 -3.856 -14.043 -14.153 1.00 2.02 C ATOM 1216 CG LYS A 80 -4.304 -13.271 -12.907 1.00 21.24 C ATOM 1217 CD LYS A 80 -4.909 -11.902 -13.232 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.137 -11.999 -14.125 1.00 30.34 C ATOM 1219 NZ LYS A 80 -7.216 -12.801 -13.507 1.00 71.14 N ATOM 0 H LYS A 80 -2.460 -15.116 -15.948 1.00 61.35 H new ATOM 0 HA LYS A 80 -3.529 -12.470 -15.558 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -4.741 -14.355 -14.708 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.342 -14.951 -13.836 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.038 -13.866 -12.363 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -3.449 -13.135 -12.244 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.179 -11.399 -12.303 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -4.157 -11.284 -13.722 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -6.509 -10.997 -14.339 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -5.856 -12.445 -15.079 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -8.056 -12.784 -14.120 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -6.894 -13.783 -13.388 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -7.457 -12.401 -12.578 1.00 71.14 H new ATOM 1233 N ASP A 81 -0.689 -13.360 -14.177 1.00 15.43 N ATOM 1234 CA ASP A 81 0.514 -12.881 -13.484 1.00 70.42 C ATOM 1235 C ASP A 81 0.264 -12.730 -11.979 1.00 63.31 C ATOM 1236 O ASP A 81 0.865 -13.439 -11.170 1.00 51.31 O ATOM 1237 CB ASP A 81 1.000 -11.558 -14.100 1.00 15.35 C ATOM 1238 CG ASP A 81 2.175 -10.942 -13.359 1.00 71.41 C ATOM 1239 OD1 ASP A 81 3.277 -11.532 -13.382 1.00 53.32 O ATOM 1240 OD2 ASP A 81 2.007 -9.859 -12.762 1.00 21.22 O ATOM 0 H ASP A 81 -0.612 -14.316 -14.523 1.00 15.43 H new ATOM 0 HA ASP A 81 1.299 -13.626 -13.613 1.00 70.42 H new ATOM 0 HB2 ASP A 81 1.285 -11.732 -15.137 1.00 15.35 H new ATOM 0 HB3 ASP A 81 0.174 -10.847 -14.112 1.00 15.35 H new ATOM 1245 N GLU A 82 -0.630 -11.814 -11.618 1.00 51.11 N ATOM 1246 CA GLU A 82 -1.013 -11.599 -10.227 1.00 23.24 C ATOM 1247 C GLU A 82 -2.439 -12.115 -9.995 1.00 62.30 C ATOM 1248 O GLU A 82 -3.415 -11.434 -10.315 1.00 24.41 O ATOM 1249 CB GLU A 82 -0.926 -10.106 -9.882 1.00 2.34 C ATOM 1250 CG GLU A 82 -1.209 -9.775 -8.418 1.00 51.23 C ATOM 1251 CD GLU A 82 -0.201 -10.396 -7.464 1.00 42.24 C ATOM 1252 OE1 GLU A 82 0.890 -9.817 -7.280 1.00 14.04 O ATOM 1253 OE2 GLU A 82 -0.497 -11.461 -6.881 1.00 21.23 O ATOM 0 H GLU A 82 -1.108 -11.202 -12.279 1.00 51.11 H new ATOM 0 HA GLU A 82 -0.329 -12.147 -9.579 1.00 23.24 H new ATOM 0 HB2 GLU A 82 0.070 -9.745 -10.137 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -1.632 -9.560 -10.508 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -1.205 -8.693 -8.288 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -2.209 -10.123 -8.159 1.00 51.23 H new ATOM 1260 N PRO A 83 -2.572 -13.344 -9.469 1.00 41.20 N ATOM 1261 CA PRO A 83 -3.874 -13.954 -9.180 1.00 1.43 C ATOM 1262 C PRO A 83 -4.556 -13.267 -7.998 1.00 63.44 C ATOM 1263 O PRO A 83 -4.095 -13.380 -6.859 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.539 -15.421 -8.831 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.074 -15.594 -9.092 1.00 51.24 C ATOM 1266 CD PRO A 83 -1.459 -14.218 -9.094 1.00 42.23 C ATOM 0 HA PRO A 83 -4.563 -13.866 -10.020 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -3.776 -15.636 -7.789 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -4.126 -16.109 -9.440 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -1.617 -16.219 -8.325 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.909 -16.091 -10.048 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.057 -13.957 -8.115 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -0.636 -14.148 -9.806 1.00 42.23 H new ATOM 1274 N THR A 84 -5.642 -12.552 -8.261 1.00 62.44 N ATOM 1275 CA THR A 84 -6.319 -11.800 -7.214 1.00 64.50 C ATOM 1276 C THR A 84 -7.408 -12.640 -6.537 1.00 62.30 C ATOM 1277 O THR A 84 -7.840 -13.687 -7.055 1.00 22.53 O ATOM 1278 CB THR A 84 -6.926 -10.477 -7.752 1.00 74.30 C ATOM 1279 OG1 THR A 84 -7.383 -9.671 -6.657 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.080 -10.734 -8.715 1.00 32.20 C ATOM 0 H THR A 84 -6.070 -12.477 -9.184 1.00 62.44 H new ATOM 0 HA THR A 84 -5.562 -11.548 -6.472 1.00 64.50 H new ATOM 0 HB THR A 84 -6.143 -9.952 -8.299 1.00 74.30 H new ATOM 0 HG1 THR A 84 -7.764 -8.836 -7.002 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.477 -9.783 -9.069 1.00 32.20 H new ATOM 0 HG22 THR A 84 -7.722 -11.316 -9.564 1.00 32.20 H new ATOM 0 HG23 THR A 84 -8.866 -11.287 -8.201 1.00 32.20 H new ATOM 1288 N ALA A 85 -7.849 -12.163 -5.374 1.00 11.33 N ATOM 1289 CA ALA A 85 -8.864 -12.846 -4.578 1.00 53.25 C ATOM 1290 C ALA A 85 -10.125 -13.098 -5.398 1.00 55.44 C ATOM 1291 O ALA A 85 -10.801 -14.106 -5.212 1.00 52.34 O ATOM 1292 CB ALA A 85 -9.189 -12.033 -3.329 1.00 13.24 C ATOM 0 H ALA A 85 -7.513 -11.294 -4.959 1.00 11.33 H new ATOM 0 HA ALA A 85 -8.465 -13.813 -4.272 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -9.947 -12.553 -2.744 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -8.287 -11.912 -2.729 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -9.565 -11.052 -3.621 1.00 13.24 H new ATOM 1298 N GLN A 86 -10.423 -12.179 -6.315 1.00 34.21 N ATOM 1299 CA GLN A 86 -11.572 -12.324 -7.204 1.00 11.51 C ATOM 1300 C GLN A 86 -11.392 -13.544 -8.099 1.00 50.40 C ATOM 1301 O GLN A 86 -12.335 -14.306 -8.325 1.00 71.31 O ATOM 1302 CB GLN A 86 -11.756 -11.064 -8.060 1.00 50.03 C ATOM 1303 CG GLN A 86 -12.955 -11.123 -9.005 1.00 41.24 C ATOM 1304 CD GLN A 86 -13.137 -9.842 -9.800 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.171 -9.138 -10.097 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -14.375 -9.531 -10.150 1.00 55.22 N ATOM 0 H GLN A 86 -9.884 -11.326 -6.461 1.00 34.21 H new ATOM 0 HA GLN A 86 -12.465 -12.460 -6.594 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -11.868 -10.203 -7.401 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -10.852 -10.901 -8.647 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.829 -11.959 -9.694 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -13.858 -11.319 -8.428 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -15.148 -10.141 -9.885 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -14.556 -8.682 -10.685 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.167 -13.730 -8.589 1.00 24.32 N ATOM 1316 CA ASP A 87 -9.852 -14.865 -9.452 1.00 32.24 C ATOM 1317 C ASP A 87 -10.007 -16.159 -8.682 1.00 42.21 C ATOM 1318 O ASP A 87 -10.715 -17.069 -9.116 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.416 -14.781 -9.993 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.186 -13.598 -10.911 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.064 -13.301 -11.747 1.00 21.13 O ATOM 1322 OD2 ASP A 87 -7.111 -12.968 -10.821 1.00 14.52 O ATOM 0 H ASP A 87 -9.379 -13.110 -8.403 1.00 24.32 H new ATOM 0 HA ASP A 87 -10.545 -14.839 -10.293 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -7.723 -14.720 -9.154 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.185 -15.700 -10.532 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.361 -16.228 -7.518 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.441 -17.424 -6.684 1.00 12.41 C ATOM 1329 C ILE A 88 -10.891 -17.707 -6.293 1.00 62.53 C ATOM 1330 O ILE A 88 -11.336 -18.850 -6.341 1.00 0.14 O ATOM 1331 CB ILE A 88 -8.547 -17.323 -5.414 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.057 -17.484 -5.785 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -8.950 -18.371 -4.371 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.473 -16.327 -6.568 1.00 42.04 C ATOM 0 H ILE A 88 -8.784 -15.479 -7.136 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.061 -18.254 -7.279 1.00 12.41 H new ATOM 0 HB ILE A 88 -8.695 -16.335 -4.979 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.480 -17.614 -4.869 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -6.938 -18.397 -6.368 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.309 -18.277 -3.495 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -9.988 -18.214 -4.079 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -8.840 -19.369 -4.796 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.423 -16.527 -6.784 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.020 -16.208 -7.503 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -6.555 -15.412 -5.981 1.00 42.04 H new ATOM 1346 N SER A 89 -11.627 -16.655 -5.944 1.00 54.03 N ATOM 1347 CA SER A 89 -13.023 -16.793 -5.535 1.00 31.54 C ATOM 1348 C SER A 89 -13.876 -17.331 -6.690 1.00 63.41 C ATOM 1349 O SER A 89 -14.691 -18.232 -6.498 1.00 50.42 O ATOM 1350 CB SER A 89 -13.572 -15.447 -5.038 1.00 55.52 C ATOM 1351 OG SER A 89 -14.890 -15.578 -4.526 1.00 41.44 O ATOM 0 H SER A 89 -11.280 -15.696 -5.936 1.00 54.03 H new ATOM 0 HA SER A 89 -13.071 -17.509 -4.715 1.00 31.54 H new ATOM 0 HB2 SER A 89 -12.917 -15.050 -4.262 1.00 55.52 H new ATOM 0 HB3 SER A 89 -13.569 -14.727 -5.857 1.00 55.52 H new ATOM 0 HG SER A 89 -15.149 -14.748 -4.074 1.00 41.44 H new ATOM 1357 N ARG A 90 -13.671 -16.784 -7.890 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.407 -17.225 -9.079 1.00 54.03 C ATOM 1359 C ARG A 90 -14.108 -18.692 -9.378 1.00 24.50 C ATOM 1360 O ARG A 90 -15.015 -19.531 -9.423 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.038 -16.340 -10.292 1.00 2.20 C ATOM 1362 CG ARG A 90 -15.047 -15.233 -10.622 1.00 50.34 C ATOM 1363 CD ARG A 90 -15.505 -14.457 -9.388 1.00 62.12 C ATOM 1364 NE ARG A 90 -16.532 -15.188 -8.637 1.00 24.24 N ATOM 1365 CZ ARG A 90 -16.763 -15.038 -7.330 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -16.057 -14.172 -6.614 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -17.719 -15.750 -6.742 1.00 40.20 N ATOM 0 H ARG A 90 -13.001 -16.035 -8.065 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.475 -17.125 -8.886 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.067 -15.881 -10.105 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -13.925 -16.980 -11.167 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -14.599 -14.541 -11.334 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -15.916 -15.674 -11.110 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -14.649 -14.264 -8.741 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -15.898 -13.487 -9.693 1.00 62.12 H new ATOM 0 HE ARG A 90 -17.109 -15.856 -9.148 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -15.330 -13.613 -7.061 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -16.241 -14.065 -5.617 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -18.274 -16.409 -7.289 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -17.898 -15.638 -5.744 1.00 40.20 H new ATOM 1381 N VAL A 91 -12.826 -19.001 -9.530 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.384 -20.357 -9.828 1.00 73.33 C ATOM 1383 C VAL A 91 -12.919 -21.335 -8.779 1.00 11.43 C ATOM 1384 O VAL A 91 -13.580 -22.336 -9.113 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.835 -20.431 -9.891 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.363 -21.862 -10.104 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.299 -19.518 -10.994 1.00 44.15 C ATOM 0 H VAL A 91 -12.068 -18.323 -9.451 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.781 -20.637 -10.804 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.442 -20.087 -8.934 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.274 -21.884 -10.144 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.708 -22.486 -9.279 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.768 -22.243 -11.041 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.211 -19.583 -11.023 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.707 -19.830 -11.955 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.596 -18.489 -10.791 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.666 -21.010 -7.512 1.00 14.51 N ATOM 1398 CA ALA A 92 -13.135 -21.819 -6.393 1.00 51.41 C ATOM 1399 C ALA A 92 -14.648 -21.980 -6.448 1.00 45.24 C ATOM 1400 O ALA A 92 -15.177 -23.053 -6.164 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.709 -21.202 -5.065 1.00 45.23 C ATOM 0 H ALA A 92 -12.134 -20.185 -7.236 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.681 -22.807 -6.471 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -13.069 -21.822 -4.244 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.621 -21.142 -5.024 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.131 -20.201 -4.977 1.00 45.23 H new ATOM 1407 N SER A 93 -15.337 -20.909 -6.834 1.00 15.05 N ATOM 1408 CA SER A 93 -16.786 -20.936 -6.958 1.00 62.23 C ATOM 1409 C SER A 93 -17.209 -21.911 -8.056 1.00 73.41 C ATOM 1410 O SER A 93 -18.232 -22.580 -7.930 1.00 13.21 O ATOM 1411 CB SER A 93 -17.333 -19.527 -7.249 1.00 70.15 C ATOM 1412 OG SER A 93 -18.752 -19.512 -7.252 1.00 11.51 O ATOM 0 H SER A 93 -14.911 -20.012 -7.066 1.00 15.05 H new ATOM 0 HA SER A 93 -17.205 -21.277 -6.011 1.00 62.23 H new ATOM 0 HB2 SER A 93 -16.962 -18.829 -6.498 1.00 70.15 H new ATOM 0 HB3 SER A 93 -16.962 -19.184 -8.215 1.00 70.15 H new ATOM 0 HG SER A 93 -19.069 -18.604 -7.438 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.418 -22.004 -9.131 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.749 -22.915 -10.232 1.00 3.43 C ATOM 1420 C ARG A 94 -16.558 -24.365 -9.800 1.00 32.51 C ATOM 1421 O ARG A 94 -17.477 -25.173 -9.919 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.887 -22.649 -11.465 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.684 -21.180 -11.793 1.00 61.23 C ATOM 1424 CD ARG A 94 -16.974 -20.361 -11.720 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.777 -20.449 -12.943 1.00 3.54 N ATOM 1426 CZ ARG A 94 -19.109 -20.507 -12.965 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -19.800 -20.617 -11.835 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -19.751 -20.454 -14.123 1.00 21.02 N ATOM 0 H ARG A 94 -15.559 -21.470 -9.262 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.793 -22.737 -10.491 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.912 -23.112 -11.316 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -16.345 -23.139 -12.324 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -14.954 -20.758 -11.102 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.263 -21.093 -12.794 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.570 -20.706 -10.875 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -16.725 -19.317 -11.529 1.00 13.22 H new ATOM 0 HE ARG A 94 -17.285 -20.467 -13.836 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -19.312 -20.658 -10.940 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -20.819 -20.661 -11.862 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -19.226 -20.369 -14.994 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -20.770 -20.498 -14.144 1.00 21.02 H new ATOM 1442 N LEU A 95 -15.361 -24.705 -9.304 1.00 55.01 N ATOM 1443 CA LEU A 95 -15.152 -26.055 -8.742 1.00 15.52 C ATOM 1444 C LEU A 95 -16.143 -26.356 -7.604 1.00 70.41 C ATOM 1445 O LEU A 95 -16.507 -27.512 -7.388 1.00 61.13 O ATOM 1446 CB LEU A 95 -13.694 -26.309 -8.291 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.972 -25.159 -7.557 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.428 -25.611 -6.204 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.833 -24.615 -8.412 1.00 73.21 C ATOM 0 H LEU A 95 -14.546 -24.092 -9.277 1.00 55.01 H new ATOM 0 HA LEU A 95 -15.349 -26.750 -9.558 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -13.690 -27.182 -7.638 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -13.108 -26.568 -9.173 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.704 -24.371 -7.384 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.926 -24.775 -5.716 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -13.251 -25.956 -5.578 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.718 -26.425 -6.351 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -11.334 -23.805 -7.880 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -11.117 -25.412 -8.614 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -12.233 -24.239 -9.354 1.00 73.21 H new ATOM 1461 N ALA A 96 -16.588 -25.320 -6.887 1.00 40.45 N ATOM 1462 CA ALA A 96 -17.630 -25.480 -5.863 1.00 52.43 C ATOM 1463 C ALA A 96 -19.005 -25.641 -6.519 1.00 51.03 C ATOM 1464 O ALA A 96 -19.913 -26.263 -5.960 1.00 52.32 O ATOM 1465 CB ALA A 96 -17.633 -24.293 -4.905 1.00 5.15 C ATOM 0 H ALA A 96 -16.246 -24.365 -6.994 1.00 40.45 H new ATOM 0 HA ALA A 96 -17.410 -26.381 -5.290 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -18.412 -24.432 -4.155 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.664 -24.221 -4.412 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.826 -23.376 -5.462 1.00 5.15 H new ATOM 1471 N ALA A 97 -19.141 -25.056 -7.709 1.00 43.02 N ATOM 1472 CA ALA A 97 -20.345 -25.183 -8.530 1.00 4.04 C ATOM 1473 C ALA A 97 -20.383 -26.552 -9.198 1.00 60.22 C ATOM 1474 O ALA A 97 -21.418 -26.982 -9.705 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.414 -24.070 -9.572 1.00 52.53 C ATOM 0 H ALA A 97 -18.415 -24.478 -8.133 1.00 43.02 H new ATOM 0 HA ALA A 97 -21.216 -25.088 -7.882 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -21.318 -24.187 -10.170 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.433 -23.103 -9.070 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.540 -24.125 -10.221 1.00 52.53 H new ATOM 1481 N GLY A 98 -19.226 -27.218 -9.205 1.00 10.24 N ATOM 1482 CA GLY A 98 -19.086 -28.538 -9.811 1.00 71.13 C ATOM 1483 C GLY A 98 -19.866 -29.634 -9.098 1.00 75.14 C ATOM 1484 O GLY A 98 -19.417 -30.779 -9.065 1.00 24.30 O ATOM 0 H GLY A 98 -18.366 -26.857 -8.792 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -19.417 -28.487 -10.848 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -18.030 -28.809 -9.826 1.00 71.13 H new ATOM 1488 N GLY A 99 -21.004 -29.289 -8.496 1.00 44.44 N ATOM 1489 CA GLY A 99 -21.867 -30.285 -7.898 1.00 11.31 C ATOM 1490 C GLY A 99 -22.248 -31.360 -8.898 1.00 2.41 C ATOM 1491 O GLY A 99 -23.178 -31.184 -9.686 1.00 24.34 O ATOM 0 H GLY A 99 -21.341 -28.330 -8.414 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -21.363 -30.741 -7.046 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -22.768 -29.806 -7.516 1.00 11.31 H new ATOM 1495 N TRP A 100 -21.493 -32.452 -8.880 1.00 33.12 N ATOM 1496 CA TRP A 100 -21.707 -33.598 -9.762 1.00 54.53 C ATOM 1497 C TRP A 100 -23.151 -34.155 -9.627 1.00 63.43 C ATOM 1498 O TRP A 100 -23.946 -33.589 -8.872 1.00 14.14 O ATOM 1499 CB TRP A 100 -20.589 -34.620 -9.496 1.00 53.11 C ATOM 1500 CG TRP A 100 -19.306 -34.241 -10.184 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -18.319 -33.414 -9.718 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -18.893 -34.658 -11.490 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -17.316 -33.308 -10.650 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -17.643 -34.064 -11.744 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -19.455 -35.487 -12.467 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -16.951 -34.266 -12.935 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -18.765 -35.687 -13.649 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -17.523 -35.080 -13.873 1.00 25.43 C ATOM 0 H TRP A 100 -20.704 -32.570 -8.245 1.00 33.12 H new ATOM 0 HA TRP A 100 -21.639 -33.308 -10.810 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -20.416 -34.697 -8.423 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -20.908 -35.604 -9.839 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -18.328 -32.918 -8.759 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -16.465 -32.756 -10.544 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -20.411 -35.962 -12.301 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -15.995 -33.796 -13.112 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -19.191 -36.322 -14.412 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -17.007 -35.258 -14.805 1.00 25.43 H new ATOM 1519 N PRO A 101 -23.509 -35.311 -10.265 1.00 54.45 N ATOM 1520 CA PRO A 101 -24.843 -35.575 -10.780 1.00 61.44 C ATOM 1521 C PRO A 101 -25.815 -34.395 -10.702 1.00 74.42 C ATOM 1522 O PRO A 101 -26.730 -34.352 -9.875 1.00 34.13 O ATOM 1523 CB PRO A 101 -25.217 -36.768 -9.916 1.00 45.13 C ATOM 1524 CG PRO A 101 -23.914 -37.543 -9.828 1.00 52.13 C ATOM 1525 CD PRO A 101 -22.804 -36.595 -10.284 1.00 25.12 C ATOM 0 HA PRO A 101 -24.883 -35.760 -11.854 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -25.571 -36.460 -8.932 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -26.011 -37.362 -10.369 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -23.736 -37.885 -8.808 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -23.949 -38.430 -10.460 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -21.949 -36.606 -9.608 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -22.429 -36.845 -11.277 1.00 25.12 H new ATOM 1533 N LEU A 102 -25.562 -33.430 -11.581 1.00 10.31 N ATOM 1534 CA LEU A 102 -26.430 -32.279 -11.796 1.00 74.21 C ATOM 1535 C LEU A 102 -26.539 -32.039 -13.300 1.00 33.31 C ATOM 1536 O LEU A 102 -25.582 -31.584 -13.932 1.00 3.42 O ATOM 1537 CB LEU A 102 -25.862 -31.035 -11.091 1.00 54.21 C ATOM 1538 CG LEU A 102 -26.622 -29.718 -11.334 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -28.040 -29.790 -10.777 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -25.861 -28.538 -10.727 1.00 12.44 C ATOM 0 H LEU A 102 -24.732 -33.427 -12.174 1.00 10.31 H new ATOM 0 HA LEU A 102 -27.417 -32.474 -11.377 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -25.841 -31.227 -10.018 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -24.829 -30.900 -11.411 1.00 54.21 H new ATOM 0 HG LEU A 102 -26.694 -29.565 -12.411 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -28.552 -28.846 -10.963 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -28.582 -30.600 -11.265 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -28.000 -29.976 -9.704 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -26.414 -27.616 -10.909 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -25.751 -28.689 -9.653 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -24.875 -28.466 -11.186 1.00 12.44 H new ATOM 1552 N ALA A 103 -27.682 -32.385 -13.878 1.00 35.13 N ATOM 1553 CA ALA A 103 -27.870 -32.289 -15.321 1.00 1.22 C ATOM 1554 C ALA A 103 -28.493 -30.949 -15.704 1.00 44.52 C ATOM 1555 O ALA A 103 -29.699 -30.753 -15.554 1.00 71.31 O ATOM 1556 CB ALA A 103 -28.730 -33.445 -15.815 1.00 34.24 C ATOM 0 H ALA A 103 -28.494 -32.735 -13.370 1.00 35.13 H new ATOM 0 HA ALA A 103 -26.893 -32.350 -15.801 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -28.864 -33.364 -16.894 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -28.239 -34.390 -15.581 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -29.703 -33.410 -15.325 1.00 34.24 H new ATOM 1562 N GLY A 104 -27.664 -30.027 -16.186 1.00 1.03 N ATOM 1563 CA GLY A 104 -28.153 -28.725 -16.600 1.00 34.40 C ATOM 1564 C GLY A 104 -27.033 -27.761 -16.947 1.00 2.44 C ATOM 1565 O GLY A 104 -26.937 -26.675 -16.370 1.00 60.53 O ATOM 0 H GLY A 104 -26.659 -30.160 -16.297 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -28.805 -28.845 -17.465 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -28.759 -28.298 -15.801 1.00 34.40 H new ATOM 1569 N VAL A 105 -26.173 -28.166 -17.879 1.00 75.25 N ATOM 1570 CA VAL A 105 -25.107 -27.328 -18.371 1.00 23.35 C ATOM 1571 C VAL A 105 -25.628 -26.342 -19.421 1.00 14.03 C ATOM 1572 O VAL A 105 -26.131 -26.743 -20.473 1.00 43.04 O ATOM 1573 CB VAL A 105 -23.975 -28.194 -18.976 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -23.144 -28.854 -17.875 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -24.521 -29.250 -19.947 1.00 71.45 C ATOM 0 H VAL A 105 -26.205 -29.090 -18.309 1.00 75.25 H new ATOM 0 HA VAL A 105 -24.709 -26.760 -17.530 1.00 23.35 H new ATOM 0 HB VAL A 105 -23.328 -27.527 -19.545 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -22.356 -29.457 -18.326 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -22.697 -28.084 -17.245 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -23.786 -29.492 -17.268 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -23.695 -29.836 -20.349 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -25.210 -29.909 -19.418 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -25.047 -28.756 -20.764 1.00 71.45 H new ATOM 1585 N ASP A 106 -25.519 -25.053 -19.121 1.00 34.34 N ATOM 1586 CA ASP A 106 -25.942 -23.995 -20.040 1.00 34.40 C ATOM 1587 C ASP A 106 -24.733 -23.309 -20.658 1.00 44.13 C ATOM 1588 O ASP A 106 -23.965 -22.650 -19.957 1.00 12.44 O ATOM 1589 CB ASP A 106 -26.812 -22.956 -19.314 1.00 3.44 C ATOM 1590 CG ASP A 106 -28.280 -23.347 -19.266 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -28.677 -24.100 -18.351 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -29.046 -22.902 -20.151 1.00 25.55 O ATOM 0 H ASP A 106 -25.137 -24.710 -18.240 1.00 34.34 H new ATOM 0 HA ASP A 106 -26.533 -24.456 -20.832 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -26.442 -22.826 -18.297 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -26.713 -21.993 -19.815 1.00 3.44 H new ATOM 1597 N SER A 107 -24.571 -23.460 -21.970 1.00 25.45 N ATOM 1598 CA SER A 107 -23.464 -22.836 -22.688 1.00 20.22 C ATOM 1599 C SER A 107 -23.492 -21.316 -22.509 1.00 62.13 C ATOM 1600 O SER A 107 -22.447 -20.676 -22.388 1.00 71.25 O ATOM 1601 CB SER A 107 -23.529 -23.198 -24.176 1.00 31.03 C ATOM 1602 OG SER A 107 -23.552 -24.605 -24.355 1.00 63.21 O ATOM 0 H SER A 107 -25.195 -24.011 -22.559 1.00 25.45 H new ATOM 0 HA SER A 107 -22.528 -23.212 -22.275 1.00 20.22 H new ATOM 0 HB2 SER A 107 -24.419 -22.756 -24.623 1.00 31.03 H new ATOM 0 HB3 SER A 107 -22.669 -22.776 -24.695 1.00 31.03 H new ATOM 0 HG SER A 107 -23.595 -24.812 -25.312 1.00 63.21 H new ATOM 1608 N THR A 108 -24.694 -20.748 -22.453 1.00 52.43 N ATOM 1609 CA THR A 108 -24.859 -19.309 -22.275 1.00 65.30 C ATOM 1610 C THR A 108 -24.247 -18.849 -20.945 1.00 75.14 C ATOM 1611 O THR A 108 -23.893 -17.680 -20.781 1.00 15.14 O ATOM 1612 CB THR A 108 -26.356 -18.918 -22.331 1.00 33.03 C ATOM 1613 OG1 THR A 108 -26.940 -19.399 -23.555 1.00 25.35 O ATOM 1614 CG2 THR A 108 -26.543 -17.406 -22.236 1.00 32.14 C ATOM 0 H THR A 108 -25.570 -21.265 -22.529 1.00 52.43 H new ATOM 0 HA THR A 108 -24.335 -18.810 -23.090 1.00 65.30 H new ATOM 0 HB THR A 108 -26.854 -19.376 -21.477 1.00 33.03 H new ATOM 0 HG1 THR A 108 -27.888 -19.151 -23.585 1.00 25.35 H new ATOM 0 HG21 THR A 108 -27.606 -17.167 -22.279 1.00 32.14 H new ATOM 0 HG22 THR A 108 -26.128 -17.046 -21.295 1.00 32.14 H new ATOM 0 HG23 THR A 108 -26.029 -16.923 -23.067 1.00 32.14 H new ATOM 1622 N ALA A 109 -24.105 -19.786 -20.006 1.00 54.00 N ATOM 1623 CA ALA A 109 -23.541 -19.494 -18.688 1.00 24.21 C ATOM 1624 C ALA A 109 -22.244 -20.277 -18.468 1.00 11.04 C ATOM 1625 O ALA A 109 -21.771 -20.412 -17.340 1.00 23.33 O ATOM 1626 CB ALA A 109 -24.557 -19.826 -17.596 1.00 14.02 C ATOM 0 H ALA A 109 -24.375 -20.761 -20.136 1.00 54.00 H new ATOM 0 HA ALA A 109 -23.308 -18.430 -18.639 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -24.127 -19.605 -16.619 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -25.456 -19.226 -17.741 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -24.814 -20.884 -17.648 1.00 14.02 H new ATOM 1632 N LEU A 110 -21.664 -20.777 -19.559 1.00 1.22 N ATOM 1633 CA LEU A 110 -20.446 -21.584 -19.491 1.00 62.21 C ATOM 1634 C LEU A 110 -19.366 -20.920 -20.340 1.00 32.34 C ATOM 1635 O LEU A 110 -18.179 -20.954 -20.014 1.00 74.23 O ATOM 1636 CB LEU A 110 -20.732 -23.018 -19.987 1.00 35.40 C ATOM 1637 CG LEU A 110 -19.928 -24.147 -19.312 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -18.432 -24.016 -19.587 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -20.207 -24.172 -17.809 1.00 71.20 C ATOM 0 H LEU A 110 -22.020 -20.636 -20.504 1.00 1.22 H new ATOM 0 HA LEU A 110 -20.100 -21.649 -18.459 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -21.793 -23.223 -19.847 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -20.539 -23.054 -21.059 1.00 35.40 H new ATOM 0 HG LEU A 110 -20.254 -25.094 -19.743 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -17.899 -24.830 -19.095 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -18.254 -24.063 -20.661 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -18.073 -23.062 -19.201 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -19.633 -24.974 -17.346 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -19.918 -23.218 -17.369 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -21.270 -24.342 -17.639 1.00 71.20 H new ATOM 1651 N ASN A 111 -19.805 -20.309 -21.432 1.00 2.03 N ATOM 1652 CA ASN A 111 -18.936 -19.546 -22.313 1.00 51.20 C ATOM 1653 C ASN A 111 -19.540 -18.164 -22.572 1.00 3.43 C ATOM 1654 O ASN A 111 -20.292 -17.958 -23.530 1.00 20.31 O ATOM 1655 CB ASN A 111 -18.688 -20.304 -23.630 1.00 51.14 C ATOM 1656 CG ASN A 111 -19.960 -20.811 -24.300 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -20.421 -21.920 -24.024 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -20.532 -20.011 -25.185 1.00 71.21 N ATOM 0 H ASN A 111 -20.780 -20.330 -21.732 1.00 2.03 H new ATOM 0 HA ASN A 111 -17.970 -19.413 -21.826 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -18.162 -19.647 -24.322 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -18.031 -21.151 -23.432 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -21.383 -20.306 -25.664 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -20.122 -19.099 -25.388 1.00 71.21 H new ATOM 1665 N ALA A 112 -19.236 -17.228 -21.680 1.00 65.35 N ATOM 1666 CA ALA A 112 -19.748 -15.868 -21.774 1.00 3.51 C ATOM 1667 C ALA A 112 -18.817 -14.907 -21.034 1.00 55.23 C ATOM 1668 O ALA A 112 -18.906 -14.825 -19.791 1.00 20.44 O ATOM 1669 CB ALA A 112 -21.165 -15.793 -21.208 1.00 24.13 C ATOM 1670 OXT ALA A 112 -17.994 -14.246 -21.694 1.00 0.00 O ATOM 0 H ALA A 112 -18.631 -17.390 -20.875 1.00 65.35 H new ATOM 0 HA ALA A 112 -19.786 -15.575 -22.823 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -21.534 -14.770 -21.285 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -21.818 -16.458 -21.773 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -21.155 -16.097 -20.161 1.00 24.13 H new