USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 419 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 38 GLN : amide:sc= -3.88! C(o=-3.9!,f=-5.8!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -0.0157 (180deg=-0.272) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= -0.0613 (180deg=-0.474) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot 79:sc= 0.349 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -38:sc= 0.0275 USER MOD Single : A 116 THR OG1 : rot -72:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 -21.802 27.177 6.434 1.00 0.00 N ATOM 506 CA GLN A 38 -20.589 27.964 6.617 1.00 0.00 C ATOM 507 C GLN A 38 -19.378 27.217 6.065 1.00 0.00 C ATOM 508 O GLN A 38 -18.365 27.824 5.721 1.00 0.00 O ATOM 509 CB GLN A 38 -20.379 28.260 8.106 1.00 0.00 C ATOM 510 CG GLN A 38 -20.307 26.945 8.896 1.00 0.00 C ATOM 511 CD GLN A 38 -18.927 26.312 8.738 1.00 0.00 C ATOM 512 OE1 GLN A 38 -17.933 27.020 8.588 1.00 0.00 O ATOM 513 NE2 GLN A 38 -18.808 25.013 8.763 1.00 0.00 N ATOM 0 HA GLN A 38 -20.699 28.902 6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -19.460 28.829 8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -21.196 28.876 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -20.510 27.134 9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -21.074 26.256 8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -19.634 24.428 8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -17.889 24.583 8.658 1.00 0.00 H new ATOM 522 N VAL A 39 -19.494 25.896 5.988 1.00 0.00 N ATOM 523 CA VAL A 39 -18.403 25.070 5.480 1.00 0.00 C ATOM 524 C VAL A 39 -18.074 25.452 4.040 1.00 0.00 C ATOM 525 O VAL A 39 -16.946 25.274 3.581 1.00 0.00 O ATOM 526 CB VAL A 39 -18.788 23.593 5.543 1.00 0.00 C ATOM 527 CG1 VAL A 39 -19.958 23.328 4.595 1.00 0.00 C ATOM 528 CG2 VAL A 39 -17.591 22.736 5.126 1.00 0.00 C ATOM 0 H VAL A 39 -20.326 25.376 6.268 1.00 0.00 H new ATOM 0 HA VAL A 39 -17.524 25.239 6.102 1.00 0.00 H new ATOM 0 HB VAL A 39 -19.082 23.338 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -20.232 22.274 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -20.812 23.938 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -19.666 23.583 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -17.865 21.682 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -17.297 22.992 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -16.757 22.923 5.802 1.00 0.00 H new ATOM 538 N ASP A 40 -19.067 25.978 3.332 1.00 0.00 N ATOM 539 CA ASP A 40 -18.873 26.385 1.945 1.00 0.00 C ATOM 540 C ASP A 40 -17.818 27.480 1.853 1.00 0.00 C ATOM 541 O ASP A 40 -17.024 27.513 0.914 1.00 0.00 O ATOM 542 CB ASP A 40 -20.193 26.894 1.362 1.00 0.00 C ATOM 543 CG ASP A 40 -19.972 27.412 -0.055 1.00 0.00 C ATOM 544 OD1 ASP A 40 -18.904 27.173 -0.593 1.00 0.00 O ATOM 545 OD2 ASP A 40 -20.875 28.044 -0.581 1.00 0.00 O ATOM 0 H ASP A 40 -20.009 26.132 3.692 1.00 0.00 H new ATOM 0 HA ASP A 40 -18.534 25.520 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -20.930 26.091 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -20.595 27.689 1.990 1.00 0.00 H new ATOM 550 N GLU A 41 -17.819 28.380 2.827 1.00 0.00 N ATOM 551 CA GLU A 41 -16.858 29.477 2.844 1.00 0.00 C ATOM 552 C GLU A 41 -15.440 28.942 3.031 1.00 0.00 C ATOM 553 O GLU A 41 -14.471 29.544 2.570 1.00 0.00 O ATOM 554 CB GLU A 41 -17.193 30.448 3.975 1.00 0.00 C ATOM 555 CG GLU A 41 -18.619 30.973 3.785 1.00 0.00 C ATOM 556 CD GLU A 41 -18.716 31.784 2.498 1.00 0.00 C ATOM 557 OE1 GLU A 41 -17.684 32.227 2.020 1.00 0.00 O ATOM 558 OE2 GLU A 41 -19.819 31.941 2.002 1.00 0.00 O ATOM 0 H GLU A 41 -18.470 28.374 3.612 1.00 0.00 H new ATOM 0 HA GLU A 41 -16.915 30.001 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.103 29.947 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -16.485 31.277 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.320 30.139 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -18.902 31.593 4.636 1.00 0.00 H new ATOM 565 N VAL A 42 -15.329 27.811 3.721 1.00 0.00 N ATOM 566 CA VAL A 42 -14.025 27.207 3.970 1.00 0.00 C ATOM 567 C VAL A 42 -13.431 26.651 2.678 1.00 0.00 C ATOM 568 O VAL A 42 -12.214 26.517 2.550 1.00 0.00 O ATOM 569 CB VAL A 42 -14.156 26.080 4.996 1.00 0.00 C ATOM 570 CG1 VAL A 42 -12.787 25.437 5.233 1.00 0.00 C ATOM 571 CG2 VAL A 42 -14.686 26.652 6.313 1.00 0.00 C ATOM 0 H VAL A 42 -16.118 27.298 4.114 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.361 27.979 4.359 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.848 25.326 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.884 24.635 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.409 25.030 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.092 26.188 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.780 25.851 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -13.994 27.406 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.662 27.107 6.145 1.00 0.00 H new ATOM 581 N VAL A 43 -14.298 26.321 1.726 1.00 0.00 N ATOM 582 CA VAL A 43 -13.844 25.768 0.454 1.00 0.00 C ATOM 583 C VAL A 43 -12.960 26.770 -0.286 1.00 0.00 C ATOM 584 O VAL A 43 -11.889 26.419 -0.778 1.00 0.00 O ATOM 585 CB VAL A 43 -15.050 25.415 -0.420 1.00 0.00 C ATOM 586 CG1 VAL A 43 -14.572 24.936 -1.794 1.00 0.00 C ATOM 587 CG2 VAL A 43 -15.863 24.307 0.258 1.00 0.00 C ATOM 0 H VAL A 43 -15.309 26.425 1.809 1.00 0.00 H new ATOM 0 HA VAL A 43 -13.263 24.869 0.659 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.675 26.299 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.434 24.686 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.997 25.727 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -13.944 24.053 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.722 24.054 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.237 23.424 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.209 24.653 1.232 1.00 0.00 H new ATOM 597 N ASP A 44 -13.416 28.015 -0.359 1.00 0.00 N ATOM 598 CA ASP A 44 -12.655 29.056 -1.042 1.00 0.00 C ATOM 599 C ASP A 44 -11.420 29.443 -0.231 1.00 0.00 C ATOM 600 O ASP A 44 -10.350 29.679 -0.791 1.00 0.00 O ATOM 601 CB ASP A 44 -13.538 30.288 -1.259 1.00 0.00 C ATOM 602 CG ASP A 44 -14.334 30.582 0.006 1.00 0.00 C ATOM 603 OD1 ASP A 44 -15.182 29.774 0.344 1.00 0.00 O ATOM 604 OD2 ASP A 44 -14.090 31.612 0.614 1.00 0.00 O ATOM 0 H ASP A 44 -14.300 28.327 0.042 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.329 28.668 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.921 31.148 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.216 30.118 -2.095 1.00 0.00 H new ATOM 609 N ILE A 45 -11.578 29.513 1.086 1.00 0.00 N ATOM 610 CA ILE A 45 -10.469 29.882 1.956 1.00 0.00 C ATOM 611 C ILE A 45 -9.356 28.842 1.871 1.00 0.00 C ATOM 612 O ILE A 45 -8.177 29.183 1.790 1.00 0.00 O ATOM 613 CB ILE A 45 -10.960 29.992 3.401 1.00 0.00 C ATOM 614 CG1 ILE A 45 -11.935 31.165 3.519 1.00 0.00 C ATOM 615 CG2 ILE A 45 -9.769 30.231 4.331 1.00 0.00 C ATOM 616 CD1 ILE A 45 -12.642 31.107 4.876 1.00 0.00 C ATOM 0 H ILE A 45 -12.455 29.321 1.571 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.076 30.845 1.631 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.462 29.067 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.399 32.109 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.668 31.125 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.121 30.309 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.070 29.399 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.266 31.156 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -13.337 31.943 4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.191 30.169 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.902 31.168 5.674 1.00 0.00 H new ATOM 628 N MET A 46 -9.741 27.572 1.894 1.00 0.00 N ATOM 629 CA MET A 46 -8.769 26.488 1.823 1.00 0.00 C ATOM 630 C MET A 46 -7.996 26.549 0.513 1.00 0.00 C ATOM 631 O MET A 46 -6.790 26.313 0.480 1.00 0.00 O ATOM 632 CB MET A 46 -9.478 25.138 1.938 1.00 0.00 C ATOM 633 CG MET A 46 -8.438 24.017 1.925 1.00 0.00 C ATOM 634 SD MET A 46 -9.247 22.439 2.298 1.00 0.00 S ATOM 635 CE MET A 46 -8.539 22.181 3.946 1.00 0.00 C ATOM 0 H MET A 46 -10.713 27.268 1.961 1.00 0.00 H new ATOM 0 HA MET A 46 -8.069 26.599 2.651 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.061 25.098 2.858 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.177 25.010 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 46 -7.953 23.968 0.950 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.659 24.221 2.659 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.915 21.246 4.361 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.453 22.134 3.872 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.823 23.008 4.597 1.00 0.00 H new ATOM 645 N ARG A 47 -8.701 26.865 -0.564 1.00 0.00 N ATOM 646 CA ARG A 47 -8.072 26.949 -1.876 1.00 0.00 C ATOM 647 C ARG A 47 -6.934 27.964 -1.859 1.00 0.00 C ATOM 648 O ARG A 47 -5.865 27.724 -2.422 1.00 0.00 O ATOM 649 CB ARG A 47 -9.104 27.359 -2.927 1.00 0.00 C ATOM 650 CG ARG A 47 -8.545 27.102 -4.344 1.00 0.00 C ATOM 651 CD ARG A 47 -8.945 25.700 -4.814 1.00 0.00 C ATOM 652 NE ARG A 47 -10.393 25.625 -4.969 1.00 0.00 N ATOM 653 CZ ARG A 47 -11.014 24.457 -5.077 1.00 0.00 C ATOM 654 NH1 ARG A 47 -10.327 23.349 -5.039 1.00 0.00 N ATOM 655 NH2 ARG A 47 -12.312 24.416 -5.215 1.00 0.00 N ATOM 0 H ARG A 47 -9.701 27.066 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.669 25.968 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.026 26.795 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.354 28.414 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.928 27.851 -5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.459 27.198 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.456 25.471 -5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.608 24.955 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.939 26.486 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.314 23.381 -4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.803 22.451 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.850 25.282 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.788 23.518 -5.298 1.00 0.00 H new ATOM 669 N VAL A 48 -7.173 29.103 -1.218 1.00 0.00 N ATOM 670 CA VAL A 48 -6.165 30.151 -1.136 1.00 0.00 C ATOM 671 C VAL A 48 -4.920 29.640 -0.419 1.00 0.00 C ATOM 672 O VAL A 48 -3.795 29.905 -0.842 1.00 0.00 O ATOM 673 CB VAL A 48 -6.731 31.364 -0.393 1.00 0.00 C ATOM 674 CG1 VAL A 48 -5.629 32.401 -0.187 1.00 0.00 C ATOM 675 CG2 VAL A 48 -7.866 31.984 -1.211 1.00 0.00 C ATOM 0 H VAL A 48 -8.052 29.323 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.889 30.446 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.114 31.044 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.035 33.263 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.822 31.962 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.243 32.719 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.267 32.847 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.484 32.300 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.656 31.247 -1.354 1.00 0.00 H new ATOM 685 N ASN A 49 -5.129 28.910 0.668 1.00 0.00 N ATOM 686 CA ASN A 49 -4.015 28.369 1.437 1.00 0.00 C ATOM 687 C ASN A 49 -3.146 27.481 0.554 1.00 0.00 C ATOM 688 O ASN A 49 -1.922 27.471 0.680 1.00 0.00 O ATOM 689 CB ASN A 49 -4.543 27.562 2.624 1.00 0.00 C ATOM 690 CG ASN A 49 -3.379 26.973 3.414 1.00 0.00 C ATOM 691 OD1 ASN A 49 -2.405 27.670 3.699 1.00 0.00 O ATOM 692 ND2 ASN A 49 -3.421 25.724 3.788 1.00 0.00 N ATOM 0 H ASN A 49 -6.052 28.680 1.036 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.411 29.197 1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.145 28.201 3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.194 26.763 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.646 25.324 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.229 25.148 3.551 1.00 0.00 H new ATOM 699 N VAL A 50 -3.787 26.733 -0.338 1.00 0.00 N ATOM 700 CA VAL A 50 -3.061 25.841 -1.235 1.00 0.00 C ATOM 701 C VAL A 50 -2.149 26.638 -2.158 1.00 0.00 C ATOM 702 O VAL A 50 -1.103 26.153 -2.593 1.00 0.00 O ATOM 703 CB VAL A 50 -4.045 25.026 -2.070 1.00 0.00 C ATOM 704 CG1 VAL A 50 -3.272 24.140 -3.050 1.00 0.00 C ATOM 705 CG2 VAL A 50 -4.891 24.148 -1.146 1.00 0.00 C ATOM 0 H VAL A 50 -4.800 26.726 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.452 25.168 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.695 25.701 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.975 23.558 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.669 24.766 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.621 23.465 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.594 23.565 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.241 23.473 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.442 24.779 -0.448 1.00 0.00 H new ATOM 715 N ASP A 51 -2.556 27.860 -2.455 1.00 0.00 N ATOM 716 CA ASP A 51 -1.770 28.729 -3.330 1.00 0.00 C ATOM 717 C ASP A 51 -0.594 29.343 -2.571 1.00 0.00 C ATOM 718 O ASP A 51 0.439 29.652 -3.160 1.00 0.00 O ATOM 719 CB ASP A 51 -2.649 29.846 -3.893 1.00 0.00 C ATOM 720 CG ASP A 51 -3.684 29.260 -4.849 1.00 0.00 C ATOM 721 OD1 ASP A 51 -3.579 28.084 -5.154 1.00 0.00 O ATOM 722 OD2 ASP A 51 -4.565 29.997 -5.260 1.00 0.00 O ATOM 0 H ASP A 51 -3.420 28.276 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.383 28.122 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.149 30.372 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.032 30.578 -4.415 1.00 0.00 H new ATOM 727 N LYS A 52 -0.760 29.519 -1.264 1.00 0.00 N ATOM 728 CA LYS A 52 0.296 30.089 -0.435 1.00 0.00 C ATOM 729 C LYS A 52 1.472 29.129 -0.314 1.00 0.00 C ATOM 730 O LYS A 52 2.633 29.538 -0.369 1.00 0.00 O ATOM 731 CB LYS A 52 -0.250 30.422 0.956 1.00 0.00 C ATOM 732 CG LYS A 52 -1.137 31.667 0.876 1.00 0.00 C ATOM 733 CD LYS A 52 -1.662 32.006 2.271 1.00 0.00 C ATOM 734 CE LYS A 52 -2.459 33.311 2.216 1.00 0.00 C ATOM 735 NZ LYS A 52 -1.526 34.455 2.014 1.00 0.00 N ATOM 0 H LYS A 52 -1.612 29.276 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 52 0.647 31.004 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.823 29.580 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.573 30.594 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.569 32.507 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.970 31.491 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.294 31.198 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.831 32.105 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.185 33.272 1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.021 33.445 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.002 35.342 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.683 34.325 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.240 34.498 1.015 1.00 0.00 H new ATOM 1144 N THR A 79 26.114 23.565 -9.296 1.00 0.00 N ATOM 1145 CA THR A 79 25.365 22.625 -8.472 1.00 0.00 C ATOM 1146 C THR A 79 23.948 22.451 -9.010 1.00 0.00 C ATOM 1147 O THR A 79 23.434 21.335 -9.082 1.00 0.00 O ATOM 1148 CB THR A 79 25.303 23.133 -7.028 1.00 0.00 C ATOM 1149 OG1 THR A 79 24.672 22.155 -6.211 1.00 0.00 O ATOM 1150 CG2 THR A 79 24.507 24.438 -6.972 1.00 0.00 C ATOM 0 HA THR A 79 25.874 21.661 -8.499 1.00 0.00 H new ATOM 0 HB THR A 79 26.315 23.315 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 79 24.633 22.477 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.466 24.795 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.993 25.187 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.495 24.263 -7.336 1.00 0.00 H new ATOM 1158 N SER A 80 23.320 23.561 -9.386 1.00 0.00 N ATOM 1159 CA SER A 80 21.961 23.517 -9.913 1.00 0.00 C ATOM 1160 C SER A 80 21.907 22.673 -11.183 1.00 0.00 C ATOM 1161 O SER A 80 20.937 21.953 -11.421 1.00 0.00 O ATOM 1162 CB SER A 80 21.474 24.933 -10.221 1.00 0.00 C ATOM 1163 OG SER A 80 22.284 25.496 -11.244 1.00 0.00 O ATOM 0 H SER A 80 23.727 24.495 -9.336 1.00 0.00 H new ATOM 0 HA SER A 80 21.314 23.066 -9.161 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.431 24.910 -10.538 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.521 25.549 -9.323 1.00 0.00 H new ATOM 0 HG SER A 80 21.973 26.403 -11.445 1.00 0.00 H new ATOM 1169 N ALA A 81 22.954 22.766 -11.996 1.00 0.00 N ATOM 1170 CA ALA A 81 23.018 22.008 -13.239 1.00 0.00 C ATOM 1171 C ALA A 81 23.000 20.508 -12.955 1.00 0.00 C ATOM 1172 O ALA A 81 22.646 19.707 -13.819 1.00 0.00 O ATOM 1173 CB ALA A 81 24.287 22.371 -14.012 1.00 0.00 C ATOM 0 H ALA A 81 23.766 23.356 -11.817 1.00 0.00 H new ATOM 0 HA ALA A 81 22.145 22.262 -13.841 1.00 0.00 H new ATOM 0 HB1 ALA A 81 24.325 21.799 -14.939 1.00 0.00 H new ATOM 0 HB2 ALA A 81 24.280 23.436 -14.243 1.00 0.00 H new ATOM 0 HB3 ALA A 81 25.162 22.137 -13.405 1.00 0.00 H new ATOM 1179 N ALA A 82 23.387 20.140 -11.738 1.00 0.00 N ATOM 1180 CA ALA A 82 23.415 18.734 -11.350 1.00 0.00 C ATOM 1181 C ALA A 82 22.013 18.134 -11.402 1.00 0.00 C ATOM 1182 O ALA A 82 21.839 16.969 -11.761 1.00 0.00 O ATOM 1183 CB ALA A 82 23.978 18.593 -9.934 1.00 0.00 C ATOM 0 H ALA A 82 23.683 20.789 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 82 24.054 18.198 -12.051 1.00 0.00 H new ATOM 0 HB1 ALA A 82 23.995 17.540 -9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 82 24.991 18.993 -9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.349 19.145 -9.236 1.00 0.00 H new ATOM 1189 N LYS A 83 21.016 18.935 -11.040 1.00 0.00 N ATOM 1190 CA LYS A 83 19.638 18.470 -11.047 1.00 0.00 C ATOM 1191 C LYS A 83 19.218 18.071 -12.455 1.00 0.00 C ATOM 1192 O LYS A 83 18.557 17.052 -12.652 1.00 0.00 O ATOM 1193 CB LYS A 83 18.710 19.574 -10.532 1.00 0.00 C ATOM 1194 CG LYS A 83 18.970 19.806 -9.043 1.00 0.00 C ATOM 1195 CD LYS A 83 18.050 20.913 -8.529 1.00 0.00 C ATOM 1196 CE LYS A 83 18.243 21.078 -7.020 1.00 0.00 C ATOM 1197 NZ LYS A 83 19.652 21.476 -6.740 1.00 0.00 N ATOM 0 H LYS A 83 21.137 19.902 -10.740 1.00 0.00 H new ATOM 0 HA LYS A 83 19.565 17.600 -10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 83 18.879 20.495 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.669 19.292 -10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.796 18.886 -8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.012 20.082 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.271 21.850 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.011 20.668 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.557 21.833 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.009 20.144 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.718 21.864 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 20.271 20.644 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.951 22.199 -7.425 1.00 0.00 H new ATOM 1211 N LEU A 84 19.606 18.881 -13.431 1.00 0.00 N ATOM 1212 CA LEU A 84 19.258 18.597 -14.817 1.00 0.00 C ATOM 1213 C LEU A 84 19.896 17.289 -15.270 1.00 0.00 C ATOM 1214 O LEU A 84 19.261 16.478 -15.945 1.00 0.00 O ATOM 1215 CB LEU A 84 19.730 19.740 -15.727 1.00 0.00 C ATOM 1216 CG LEU A 84 19.383 19.431 -17.194 1.00 0.00 C ATOM 1217 CD1 LEU A 84 17.868 19.217 -17.350 1.00 0.00 C ATOM 1218 CD2 LEU A 84 19.834 20.603 -18.076 1.00 0.00 C ATOM 0 H LEU A 84 20.155 19.729 -13.292 1.00 0.00 H new ATOM 0 HA LEU A 84 18.174 18.506 -14.886 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.258 20.674 -15.423 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.806 19.877 -15.622 1.00 0.00 H new ATOM 0 HG LEU A 84 19.897 18.520 -17.500 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.637 18.999 -18.393 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.553 18.381 -16.726 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.339 20.119 -17.042 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.591 20.390 -19.117 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.321 21.512 -17.763 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.911 20.740 -17.976 1.00 0.00 H new ATOM 1230 N LYS A 85 21.156 17.091 -14.900 1.00 0.00 N ATOM 1231 CA LYS A 85 21.871 15.884 -15.283 1.00 0.00 C ATOM 1232 C LYS A 85 21.196 14.654 -14.687 1.00 0.00 C ATOM 1233 O LYS A 85 21.029 13.639 -15.361 1.00 0.00 O ATOM 1234 CB LYS A 85 23.319 15.963 -14.792 1.00 0.00 C ATOM 1235 CG LYS A 85 24.057 17.071 -15.548 1.00 0.00 C ATOM 1236 CD LYS A 85 25.491 17.177 -15.027 1.00 0.00 C ATOM 1237 CE LYS A 85 26.234 18.268 -15.800 1.00 0.00 C ATOM 1238 NZ LYS A 85 27.628 18.382 -15.283 1.00 0.00 N ATOM 0 H LYS A 85 21.699 17.747 -14.339 1.00 0.00 H new ATOM 0 HA LYS A 85 21.858 15.801 -16.370 1.00 0.00 H new ATOM 0 HB2 LYS A 85 23.340 16.163 -13.721 1.00 0.00 H new ATOM 0 HB3 LYS A 85 23.819 15.007 -14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 85 24.062 16.856 -16.616 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.540 18.022 -15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 85 25.486 17.410 -13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 85 26.003 16.222 -15.142 1.00 0.00 H new ATOM 0 HE2 LYS A 85 26.248 18.030 -16.864 1.00 0.00 H new ATOM 0 HE3 LYS A 85 25.716 19.221 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 28.134 19.124 -15.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 27.605 18.628 -14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 28.120 17.474 -15.407 1.00 0.00 H new ATOM 1252 N ARG A 86 20.812 14.755 -13.420 1.00 0.00 N ATOM 1253 CA ARG A 86 20.157 13.643 -12.742 1.00 0.00 C ATOM 1254 C ARG A 86 18.822 13.321 -13.399 1.00 0.00 C ATOM 1255 O ARG A 86 18.488 12.158 -13.618 1.00 0.00 O ATOM 1256 CB ARG A 86 19.932 13.993 -11.270 1.00 0.00 C ATOM 1257 CG ARG A 86 21.272 14.004 -10.532 1.00 0.00 C ATOM 1258 CD ARG A 86 21.058 14.477 -9.094 1.00 0.00 C ATOM 1259 NE ARG A 86 20.171 13.558 -8.385 1.00 0.00 N ATOM 1260 CZ ARG A 86 20.642 12.482 -7.759 1.00 0.00 C ATOM 1261 NH1 ARG A 86 21.922 12.229 -7.769 1.00 0.00 N ATOM 1262 NH2 ARG A 86 19.823 11.679 -7.136 1.00 0.00 N ATOM 0 H ARG A 86 20.941 15.588 -12.845 1.00 0.00 H new ATOM 0 HA ARG A 86 20.802 12.767 -12.816 1.00 0.00 H new ATOM 0 HB2 ARG A 86 19.452 14.968 -11.187 1.00 0.00 H new ATOM 0 HB3 ARG A 86 19.260 13.267 -10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 86 21.710 13.006 -10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 86 21.975 14.663 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 86 22.016 14.539 -8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 86 20.630 15.479 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 86 19.168 13.745 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 86 22.562 12.856 -8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 86 22.283 11.404 -7.289 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.822 11.876 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.184 10.854 -6.656 1.00 0.00 H new ATOM 1403 N LEU A 93 21.430 1.826 -11.249 1.00 0.00 N ATOM 1404 CA LEU A 93 22.500 1.073 -10.607 1.00 0.00 C ATOM 1405 C LEU A 93 21.931 -0.126 -9.857 1.00 0.00 C ATOM 1406 O LEU A 93 22.567 -1.175 -9.772 1.00 0.00 O ATOM 1407 CB LEU A 93 23.275 1.972 -9.636 1.00 0.00 C ATOM 1408 CG LEU A 93 24.468 1.201 -9.044 1.00 0.00 C ATOM 1409 CD1 LEU A 93 25.471 0.823 -10.153 1.00 0.00 C ATOM 1410 CD2 LEU A 93 25.162 2.080 -7.994 1.00 0.00 C ATOM 0 HA LEU A 93 23.180 0.716 -11.380 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.629 2.863 -10.155 1.00 0.00 H new ATOM 0 HB3 LEU A 93 22.617 2.310 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 93 24.106 0.284 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 93 26.308 0.278 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 93 24.976 0.194 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.839 1.729 -10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 93 26.009 1.540 -7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.515 2.998 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.455 2.327 -7.202 1.00 0.00 H new ATOM 1422 N LYS A 94 20.738 0.041 -9.302 1.00 0.00 N ATOM 1423 CA LYS A 94 20.100 -1.027 -8.543 1.00 0.00 C ATOM 1424 C LYS A 94 19.896 -2.254 -9.422 1.00 0.00 C ATOM 1425 O LYS A 94 20.084 -3.390 -8.979 1.00 0.00 O ATOM 1426 CB LYS A 94 18.750 -0.542 -8.018 1.00 0.00 C ATOM 1427 CG LYS A 94 18.940 0.706 -7.146 1.00 0.00 C ATOM 1428 CD LYS A 94 19.743 0.362 -5.887 1.00 0.00 C ATOM 1429 CE LYS A 94 19.557 1.460 -4.843 1.00 0.00 C ATOM 1430 NZ LYS A 94 20.291 1.081 -3.604 1.00 0.00 N ATOM 0 H LYS A 94 20.194 0.902 -9.362 1.00 0.00 H new ATOM 0 HA LYS A 94 20.743 -1.299 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.087 -0.314 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 94 18.272 -1.331 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.457 1.479 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.968 1.112 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.414 -0.596 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.799 0.257 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.930 2.410 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.498 1.597 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.169 1.825 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 19.915 0.183 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.302 0.971 -3.820 1.00 0.00 H new ATOM 1444 N MET A 95 19.515 -2.022 -10.669 1.00 0.00 N ATOM 1445 CA MET A 95 19.293 -3.118 -11.599 1.00 0.00 C ATOM 1446 C MET A 95 20.594 -3.869 -11.855 1.00 0.00 C ATOM 1447 O MET A 95 20.598 -5.089 -11.988 1.00 0.00 O ATOM 1448 CB MET A 95 18.740 -2.577 -12.919 1.00 0.00 C ATOM 1449 CG MET A 95 17.336 -2.017 -12.689 1.00 0.00 C ATOM 1450 SD MET A 95 16.730 -1.264 -14.221 1.00 0.00 S ATOM 1451 CE MET A 95 15.276 -0.453 -13.513 1.00 0.00 C ATOM 0 H MET A 95 19.354 -1.093 -11.058 1.00 0.00 H new ATOM 0 HA MET A 95 18.570 -3.806 -11.161 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.395 -1.798 -13.308 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.709 -3.370 -13.666 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.663 -2.813 -12.371 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.354 -1.277 -11.889 1.00 0.00 H new ATOM 0 HE1 MET A 95 14.741 0.083 -14.297 1.00 0.00 H new ATOM 0 HE2 MET A 95 14.619 -1.203 -13.073 1.00 0.00 H new ATOM 0 HE3 MET A 95 15.591 0.251 -12.742 1.00 0.00 H new ATOM 1461 N MET A 96 21.696 -3.133 -11.923 1.00 0.00 N ATOM 1462 CA MET A 96 23.002 -3.742 -12.165 1.00 0.00 C ATOM 1463 C MET A 96 23.357 -4.722 -11.051 1.00 0.00 C ATOM 1464 O MET A 96 23.981 -5.755 -11.295 1.00 0.00 O ATOM 1465 CB MET A 96 24.078 -2.660 -12.257 1.00 0.00 C ATOM 1466 CG MET A 96 25.432 -3.310 -12.547 1.00 0.00 C ATOM 1467 SD MET A 96 26.669 -2.022 -12.844 1.00 0.00 S ATOM 1468 CE MET A 96 27.635 -2.911 -14.091 1.00 0.00 C ATOM 0 H MET A 96 21.714 -2.119 -11.815 1.00 0.00 H new ATOM 0 HA MET A 96 22.954 -4.286 -13.108 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.828 -1.949 -13.045 1.00 0.00 H new ATOM 0 HB3 MET A 96 24.125 -2.098 -11.324 1.00 0.00 H new ATOM 0 HG2 MET A 96 25.736 -3.934 -11.706 1.00 0.00 H new ATOM 0 HG3 MET A 96 25.355 -3.963 -13.417 1.00 0.00 H new ATOM 0 HE1 MET A 96 28.466 -2.287 -14.420 1.00 0.00 H new ATOM 0 HE2 MET A 96 28.022 -3.835 -13.661 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.999 -3.147 -14.944 1.00 0.00 H new ATOM 1478 N ILE A 97 22.960 -4.388 -9.831 1.00 0.00 N ATOM 1479 CA ILE A 97 23.247 -5.241 -8.685 1.00 0.00 C ATOM 1480 C ILE A 97 22.583 -6.604 -8.861 1.00 0.00 C ATOM 1481 O ILE A 97 23.181 -7.635 -8.560 1.00 0.00 O ATOM 1482 CB ILE A 97 22.734 -4.587 -7.397 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.557 -3.327 -7.107 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.875 -5.569 -6.226 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.928 -2.547 -5.947 1.00 0.00 C ATOM 0 H ILE A 97 22.441 -3.538 -9.609 1.00 0.00 H new ATOM 0 HA ILE A 97 24.327 -5.374 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 97 21.684 -4.321 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.582 -3.601 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.602 -2.699 -7.997 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.509 -5.101 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.292 -6.467 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.924 -5.838 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 97 23.519 -1.653 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.911 -2.258 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.906 -3.174 -5.056 1.00 0.00 H new ATOM 1497 N ILE A 98 21.343 -6.604 -9.335 1.00 0.00 N ATOM 1498 CA ILE A 98 20.618 -7.854 -9.520 1.00 0.00 C ATOM 1499 C ILE A 98 21.372 -8.775 -10.477 1.00 0.00 C ATOM 1500 O ILE A 98 21.559 -9.961 -10.198 1.00 0.00 O ATOM 1501 CB ILE A 98 19.226 -7.557 -10.090 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.406 -6.783 -9.055 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.510 -8.870 -10.423 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.118 -6.266 -9.700 1.00 0.00 C ATOM 0 H ILE A 98 20.825 -5.765 -9.595 1.00 0.00 H new ATOM 0 HA ILE A 98 20.526 -8.351 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 98 19.330 -6.962 -10.997 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.167 -7.428 -8.210 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.989 -5.949 -8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.521 -8.653 -10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.090 -9.424 -11.161 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.408 -9.469 -9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.536 -5.715 -8.961 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.367 -5.606 -10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.532 -7.108 -10.069 1.00 0.00 H new ATOM 1516 N LEU A 99 21.813 -8.221 -11.598 1.00 0.00 N ATOM 1517 CA LEU A 99 22.554 -8.997 -12.588 1.00 0.00 C ATOM 1518 C LEU A 99 23.880 -9.469 -12.007 1.00 0.00 C ATOM 1519 O LEU A 99 24.329 -10.583 -12.278 1.00 0.00 O ATOM 1520 CB LEU A 99 22.791 -8.151 -13.845 1.00 0.00 C ATOM 1521 CG LEU A 99 21.540 -8.190 -14.743 1.00 0.00 C ATOM 1522 CD1 LEU A 99 21.362 -9.589 -15.379 1.00 0.00 C ATOM 1523 CD2 LEU A 99 20.299 -7.838 -13.904 1.00 0.00 C ATOM 0 H LEU A 99 21.672 -7.242 -11.846 1.00 0.00 H new ATOM 0 HA LEU A 99 21.967 -9.874 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 99 23.017 -7.122 -13.565 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.655 -8.529 -14.392 1.00 0.00 H new ATOM 0 HG LEU A 99 21.662 -7.462 -15.545 1.00 0.00 H new ATOM 0 HD11 LEU A 99 20.472 -9.592 -16.009 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.236 -9.827 -15.985 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.252 -10.335 -14.592 1.00 0.00 H new ATOM 0 HD21 LEU A 99 19.412 -7.865 -14.537 1.00 0.00 H new ATOM 0 HD22 LEU A 99 20.190 -8.561 -13.095 1.00 0.00 H new ATOM 0 HD23 LEU A 99 20.415 -6.839 -13.484 1.00 0.00 H new ATOM 1535 N GLY A 100 24.506 -8.614 -11.214 1.00 0.00 N ATOM 1536 CA GLY A 100 25.781 -8.953 -10.610 1.00 0.00 C ATOM 1537 C GLY A 100 25.664 -10.212 -9.763 1.00 0.00 C ATOM 1538 O GLY A 100 26.570 -11.047 -9.747 1.00 0.00 O ATOM 0 H GLY A 100 24.154 -7.687 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.529 -9.102 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.126 -8.125 -9.991 1.00 0.00 H new ATOM 1542 N VAL A 101 24.549 -10.346 -9.053 1.00 0.00 N ATOM 1543 CA VAL A 101 24.339 -11.512 -8.204 1.00 0.00 C ATOM 1544 C VAL A 101 24.335 -12.789 -9.042 1.00 0.00 C ATOM 1545 O VAL A 101 24.999 -13.765 -8.698 1.00 0.00 O ATOM 1546 CB VAL A 101 23.005 -11.381 -7.463 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.712 -12.668 -6.688 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.077 -10.206 -6.486 1.00 0.00 C ATOM 0 H VAL A 101 23.785 -9.670 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 101 25.153 -11.567 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 101 22.209 -11.208 -8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.762 -12.568 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.657 -13.506 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.508 -12.847 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.128 -10.113 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.877 -10.380 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.278 -9.287 -7.036 1.00 0.00 H new ATOM 1558 N ILE A 102 23.584 -12.777 -10.138 1.00 0.00 N ATOM 1559 CA ILE A 102 23.501 -13.946 -11.009 1.00 0.00 C ATOM 1560 C ILE A 102 24.866 -14.272 -11.599 1.00 0.00 C ATOM 1561 O ILE A 102 25.314 -15.421 -11.586 1.00 0.00 O ATOM 1562 CB ILE A 102 22.504 -13.675 -12.136 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.148 -13.277 -11.538 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.331 -14.941 -12.980 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.277 -12.647 -12.623 1.00 0.00 C ATOM 0 H ILE A 102 23.028 -11.978 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 102 23.165 -14.799 -10.419 1.00 0.00 H new ATOM 0 HB ILE A 102 22.879 -12.865 -12.762 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.651 -14.153 -11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.293 -12.573 -10.719 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.620 -14.748 -13.784 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.292 -15.228 -13.407 1.00 0.00 H new ATOM 0 HG23 ILE A 102 21.957 -15.749 -12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.314 -12.364 -12.198 1.00 0.00 H new ATOM 0 HD12 ILE A 102 20.773 -11.761 -13.019 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.122 -13.366 -13.428 1.00 0.00 H new ATOM 1577 N CYS A 103 25.520 -13.249 -12.116 1.00 0.00 N ATOM 1578 CA CYS A 103 26.841 -13.427 -12.715 1.00 0.00 C ATOM 1579 C CYS A 103 27.815 -14.002 -11.693 1.00 0.00 C ATOM 1580 O CYS A 103 28.644 -14.849 -12.021 1.00 0.00 O ATOM 1581 CB CYS A 103 27.378 -12.090 -13.234 1.00 0.00 C ATOM 1582 SG CYS A 103 26.329 -11.505 -14.587 1.00 0.00 S ATOM 0 H CYS A 103 25.167 -12.292 -12.136 1.00 0.00 H new ATOM 0 HA CYS A 103 26.745 -14.122 -13.549 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.395 -11.355 -12.429 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.405 -12.208 -13.580 1.00 0.00 H new ATOM 0 HG CYS A 103 25.245 -10.978 -14.099 1.00 0.00 H new ATOM 1588 N ALA A 104 27.706 -13.542 -10.452 1.00 0.00 N ATOM 1589 CA ALA A 104 28.582 -14.018 -9.388 1.00 0.00 C ATOM 1590 C ALA A 104 28.512 -15.538 -9.286 1.00 0.00 C ATOM 1591 O ALA A 104 29.508 -16.197 -8.990 1.00 0.00 O ATOM 1592 CB ALA A 104 28.170 -13.394 -8.055 1.00 0.00 C ATOM 0 H ALA A 104 27.023 -12.843 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 104 29.606 -13.725 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 104 28.829 -13.755 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.245 -12.309 -8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.142 -13.673 -7.825 1.00 0.00 H new ATOM 1598 N ILE A 105 27.329 -16.086 -9.535 1.00 0.00 N ATOM 1599 CA ILE A 105 27.137 -17.534 -9.476 1.00 0.00 C ATOM 1600 C ILE A 105 27.986 -18.231 -10.533 1.00 0.00 C ATOM 1601 O ILE A 105 28.588 -19.270 -10.270 1.00 0.00 O ATOM 1602 CB ILE A 105 25.664 -17.883 -9.689 1.00 0.00 C ATOM 1603 CG1 ILE A 105 24.814 -17.129 -8.665 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.464 -19.389 -9.502 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.330 -17.323 -8.985 1.00 0.00 C ATOM 0 H ILE A 105 26.492 -15.556 -9.778 1.00 0.00 H new ATOM 0 HA ILE A 105 27.448 -17.879 -8.490 1.00 0.00 H new ATOM 0 HB ILE A 105 25.364 -17.599 -10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.030 -17.492 -7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.064 -16.068 -8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.414 -19.638 -9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.074 -19.930 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.762 -19.673 -8.493 1.00 0.00 H new ATOM 0 HD11 ILE A 105 22.727 -16.785 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.120 -16.938 -9.983 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.085 -18.384 -8.946 1.00 0.00 H new ATOM 1617 N ILE A 106 28.020 -17.657 -11.728 1.00 0.00 N ATOM 1618 CA ILE A 106 28.792 -18.240 -12.821 1.00 0.00 C ATOM 1619 C ILE A 106 30.274 -18.309 -12.457 1.00 0.00 C ATOM 1620 O ILE A 106 30.936 -19.317 -12.704 1.00 0.00 O ATOM 1621 CB ILE A 106 28.621 -17.401 -14.088 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.132 -17.261 -14.409 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.332 -18.088 -15.257 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.941 -16.251 -15.544 1.00 0.00 C ATOM 0 H ILE A 106 27.527 -16.796 -11.966 1.00 0.00 H new ATOM 0 HA ILE A 106 28.423 -19.250 -12.998 1.00 0.00 H new ATOM 0 HB ILE A 106 29.054 -16.413 -13.930 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.720 -18.228 -14.697 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.588 -16.934 -13.523 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.210 -17.489 -16.160 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.393 -18.188 -15.029 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.900 -19.076 -15.416 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.879 -16.154 -15.770 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.337 -15.282 -15.240 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.471 -16.597 -16.432 1.00 0.00 H new ATOM 1636 N LEU A 107 30.788 -17.235 -11.868 1.00 0.00 N ATOM 1637 CA LEU A 107 32.194 -17.191 -11.474 1.00 0.00 C ATOM 1638 C LEU A 107 32.493 -18.271 -10.437 1.00 0.00 C ATOM 1639 O LEU A 107 33.531 -18.929 -10.495 1.00 0.00 O ATOM 1640 CB LEU A 107 32.531 -15.802 -10.900 1.00 0.00 C ATOM 1641 CG LEU A 107 32.928 -14.846 -12.027 1.00 0.00 C ATOM 1642 CD1 LEU A 107 31.765 -14.692 -13.005 1.00 0.00 C ATOM 1643 CD2 LEU A 107 33.283 -13.483 -11.434 1.00 0.00 C ATOM 0 H LEU A 107 30.259 -16.390 -11.654 1.00 0.00 H new ATOM 0 HA LEU A 107 32.810 -17.376 -12.354 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.670 -15.404 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.346 -15.886 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 107 33.791 -15.249 -12.557 1.00 0.00 H new ATOM 0 HD11 LEU A 107 32.051 -14.011 -13.806 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.514 -15.665 -13.428 1.00 0.00 H new ATOM 0 HD13 LEU A 107 30.898 -14.291 -12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.566 -12.800 -12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 107 32.420 -13.081 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 107 34.116 -13.594 -10.740 1.00 0.00 H new ATOM 1655 N ILE A 108 31.580 -18.449 -9.494 1.00 0.00 N ATOM 1656 CA ILE A 108 31.767 -19.449 -8.454 1.00 0.00 C ATOM 1657 C ILE A 108 31.819 -20.848 -9.063 1.00 0.00 C ATOM 1658 O ILE A 108 32.652 -21.668 -8.682 1.00 0.00 O ATOM 1659 CB ILE A 108 30.623 -19.366 -7.439 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.720 -18.048 -6.669 1.00 0.00 C ATOM 1661 CG2 ILE A 108 30.720 -20.537 -6.456 1.00 0.00 C ATOM 1662 CD1 ILE A 108 29.436 -17.829 -5.867 1.00 0.00 C ATOM 0 H ILE A 108 30.711 -17.920 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 108 32.712 -19.253 -7.947 1.00 0.00 H new ATOM 0 HB ILE A 108 29.670 -19.413 -7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 108 31.580 -18.068 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 108 30.874 -17.221 -7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 108 29.905 -20.475 -5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 108 30.651 -21.478 -7.003 1.00 0.00 H new ATOM 0 HG23 ILE A 108 31.674 -20.492 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 108 29.505 -16.890 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 108 28.585 -17.790 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 108 29.302 -18.651 -5.164 1.00 0.00 H new ATOM 1674 N ILE A 109 30.923 -21.112 -10.005 1.00 0.00 N ATOM 1675 CA ILE A 109 30.874 -22.417 -10.651 1.00 0.00 C ATOM 1676 C ILE A 109 32.175 -22.689 -11.399 1.00 0.00 C ATOM 1677 O ILE A 109 32.715 -23.792 -11.339 1.00 0.00 O ATOM 1678 CB ILE A 109 29.697 -22.469 -11.629 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.380 -22.428 -10.848 1.00 0.00 C ATOM 1680 CG2 ILE A 109 29.760 -23.763 -12.448 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.221 -22.184 -11.815 1.00 0.00 C ATOM 0 H ILE A 109 30.225 -20.446 -10.337 1.00 0.00 H new ATOM 0 HA ILE A 109 30.742 -23.181 -9.885 1.00 0.00 H new ATOM 0 HB ILE A 109 29.752 -21.612 -12.301 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.231 -23.367 -10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.414 -21.638 -10.098 1.00 0.00 H new ATOM 0 HG21 ILE A 109 28.920 -23.795 -13.142 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.695 -23.794 -13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.709 -24.621 -11.777 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.284 -22.155 -11.259 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.369 -21.233 -12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.183 -22.990 -12.548 1.00 0.00 H new ATOM 1693 N ILE A 110 32.670 -21.683 -12.107 1.00 0.00 N ATOM 1694 CA ILE A 110 33.905 -21.835 -12.869 1.00 0.00 C ATOM 1695 C ILE A 110 35.071 -22.150 -11.935 1.00 0.00 C ATOM 1696 O ILE A 110 35.899 -23.011 -12.230 1.00 0.00 O ATOM 1697 CB ILE A 110 34.197 -20.549 -13.644 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.138 -20.361 -14.733 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.580 -20.641 -14.294 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.220 -18.936 -15.284 1.00 0.00 C ATOM 0 H ILE A 110 32.241 -20.760 -12.171 1.00 0.00 H new ATOM 0 HA ILE A 110 33.784 -22.661 -13.570 1.00 0.00 H new ATOM 0 HB ILE A 110 34.175 -19.702 -12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.294 -21.082 -15.535 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.145 -20.548 -14.325 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.785 -19.723 -14.845 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.337 -20.777 -13.521 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.605 -21.489 -14.979 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.466 -18.802 -16.060 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.043 -18.224 -14.478 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.210 -18.766 -15.707 1.00 0.00 H new ATOM 1712 N ILE A 111 35.130 -21.449 -10.812 1.00 0.00 N ATOM 1713 CA ILE A 111 36.201 -21.660 -9.848 1.00 0.00 C ATOM 1714 C ILE A 111 36.160 -23.084 -9.301 1.00 0.00 C ATOM 1715 O ILE A 111 37.199 -23.730 -9.144 1.00 0.00 O ATOM 1716 CB ILE A 111 36.071 -20.660 -8.697 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.384 -19.255 -9.210 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.053 -21.025 -7.578 1.00 0.00 C ATOM 1719 CD1 ILE A 111 35.950 -18.237 -8.165 1.00 0.00 C ATOM 0 H ILE A 111 34.453 -20.733 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 111 37.155 -21.508 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 111 35.054 -20.690 -8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 111 37.451 -19.157 -9.411 1.00 0.00 H new ATOM 0 HG13 ILE A 111 35.864 -19.073 -10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 111 36.956 -20.310 -6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 111 36.831 -22.027 -7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.072 -20.998 -7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 111 36.170 -17.231 -8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 111 34.879 -18.333 -7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 111 36.490 -18.417 -7.235 1.00 0.00 H new ATOM 1731 N VAL A 112 34.959 -23.568 -9.006 1.00 0.00 N ATOM 1732 CA VAL A 112 34.799 -24.907 -8.466 1.00 0.00 C ATOM 1733 C VAL A 112 35.408 -25.922 -9.417 1.00 0.00 C ATOM 1734 O VAL A 112 35.886 -26.976 -8.994 1.00 0.00 O ATOM 1735 CB VAL A 112 33.309 -25.209 -8.259 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.114 -26.698 -7.956 1.00 0.00 C ATOM 1737 CG2 VAL A 112 32.777 -24.377 -7.085 1.00 0.00 C ATOM 0 H VAL A 112 34.087 -23.054 -9.132 1.00 0.00 H new ATOM 0 HA VAL A 112 35.311 -24.970 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 112 32.764 -24.954 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.054 -26.904 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.488 -27.291 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 112 33.662 -26.960 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 112 31.718 -24.591 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 112 33.328 -24.631 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 112 32.906 -23.317 -7.303 1.00 0.00 H new ATOM 1747 N TYR A 113 35.393 -25.603 -10.708 1.00 0.00 N ATOM 1748 CA TYR A 113 35.955 -26.498 -11.712 1.00 0.00 C ATOM 1749 C TYR A 113 37.383 -26.093 -12.047 1.00 0.00 C ATOM 1750 O TYR A 113 38.142 -26.880 -12.613 1.00 0.00 O ATOM 1751 CB TYR A 113 35.087 -26.477 -12.985 1.00 0.00 C ATOM 1752 CG TYR A 113 33.905 -27.408 -12.817 1.00 0.00 C ATOM 1753 CD1 TYR A 113 32.844 -27.048 -11.981 1.00 0.00 C ATOM 1754 CD2 TYR A 113 33.877 -28.632 -13.496 1.00 0.00 C ATOM 1755 CE1 TYR A 113 31.752 -27.909 -11.826 1.00 0.00 C ATOM 1756 CE2 TYR A 113 32.786 -29.493 -13.341 1.00 0.00 C ATOM 1757 CZ TYR A 113 31.725 -29.133 -12.504 1.00 0.00 C ATOM 1758 OH TYR A 113 30.648 -29.980 -12.351 1.00 0.00 O ATOM 0 H TYR A 113 35.001 -24.738 -11.081 1.00 0.00 H new ATOM 0 HA TYR A 113 35.967 -27.510 -11.307 1.00 0.00 H new ATOM 0 HB2 TYR A 113 34.738 -25.463 -13.181 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.682 -26.781 -13.846 1.00 0.00 H new ATOM 0 HD1 TYR A 113 32.867 -26.105 -11.455 1.00 0.00 H new ATOM 0 HD2 TYR A 113 34.698 -28.911 -14.140 1.00 0.00 H new ATOM 0 HE1 TYR A 113 30.930 -27.629 -11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 113 32.763 -30.436 -13.868 1.00 0.00 H new ATOM 0 HH TYR A 113 30.786 -30.786 -12.891 1.00 0.00 H new ATOM 1768 N PHE A 114 37.746 -24.866 -11.696 1.00 0.00 N ATOM 1769 CA PHE A 114 39.089 -24.382 -11.978 1.00 0.00 C ATOM 1770 C PHE A 114 40.132 -25.230 -11.266 1.00 0.00 C ATOM 1771 O PHE A 114 41.150 -25.610 -11.850 1.00 0.00 O ATOM 1772 CB PHE A 114 39.215 -22.927 -11.537 1.00 0.00 C ATOM 1773 CG PHE A 114 40.602 -22.423 -11.850 1.00 0.00 C ATOM 1774 CD1 PHE A 114 40.944 -22.087 -13.165 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.546 -22.290 -10.825 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.231 -21.618 -13.455 1.00 0.00 C ATOM 1777 CE2 PHE A 114 42.832 -21.821 -11.114 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.175 -21.485 -12.429 1.00 0.00 C ATOM 0 H PHE A 114 37.139 -24.197 -11.222 1.00 0.00 H new ATOM 0 HA PHE A 114 39.264 -24.454 -13.052 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.471 -22.316 -12.048 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.018 -22.842 -10.468 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.215 -22.189 -13.956 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.281 -22.550 -9.811 1.00 0.00 H new ATOM 0 HE1 PHE A 114 42.496 -21.359 -14.470 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.560 -21.718 -10.323 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.168 -21.123 -12.652 1.00 0.00 H new ATOM 1788 N SER A 115 39.875 -25.513 -9.999 1.00 0.00 N ATOM 1789 CA SER A 115 40.796 -26.307 -9.200 1.00 0.00 C ATOM 1790 C SER A 115 40.928 -27.712 -9.760 1.00 0.00 C ATOM 1791 O SER A 115 41.903 -28.409 -9.478 1.00 0.00 O ATOM 1792 CB SER A 115 40.319 -26.382 -7.750 1.00 0.00 C ATOM 1793 OG SER A 115 41.376 -26.878 -6.936 1.00 0.00 O ATOM 0 H SER A 115 39.039 -25.206 -9.502 1.00 0.00 H new ATOM 0 HA SER A 115 41.771 -25.820 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 115 40.010 -25.395 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.449 -27.034 -7.674 1.00 0.00 H new ATOM 0 HG SER A 115 41.865 -27.573 -7.423 1.00 0.00 H new ATOM 1799 N THR A 116 39.938 -28.122 -10.554 1.00 0.00 N ATOM 1800 CA THR A 116 39.933 -29.456 -11.164 1.00 0.00 C ATOM 1801 C THR A 116 40.597 -30.487 -10.253 1.00 0.00 C ATOM 1802 O THR A 116 41.264 -31.367 -10.773 1.00 0.00 O ATOM 1803 CB THR A 116 40.651 -29.417 -12.518 1.00 0.00 C ATOM 1804 OG1 THR A 116 40.730 -30.732 -13.046 1.00 0.00 O ATOM 1805 CG2 THR A 116 42.062 -28.849 -12.345 1.00 0.00 C ATOM 1806 OXT THR A 116 40.446 -30.368 -9.048 1.00 0.00 O ATOM 0 H THR A 116 39.127 -27.550 -10.791 1.00 0.00 H new ATOM 0 HA THR A 116 38.895 -29.754 -11.312 1.00 0.00 H new ATOM 0 HB THR A 116 40.092 -28.779 -13.203 1.00 0.00 H new ATOM 0 HG1 THR A 116 41.380 -31.253 -12.530 1.00 0.00 H new ATOM 0 HG21 THR A 116 42.565 -28.825 -13.311 1.00 0.00 H new ATOM 0 HG22 THR A 116 42.000 -27.838 -11.942 1.00 0.00 H new ATOM 0 HG23 THR A 116 42.626 -29.479 -11.658 1.00 0.00 H new