USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=10 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= -1.64 X(o=-1.6,f=-1.7) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.58 K(o=-1.6,f=-3.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= -0.0314 (180deg=-0.532) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0615) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= -0.0961 (180deg=-0.612) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 155:sc= -0.159 (180deg=-1.12) USER MOD Single : A 103 CYS SG : rot 75:sc= 0.681 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0488 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 6.223 10.273 -34.424 1.00 0.00 N ATOM 506 CA GLN A 38 5.279 10.737 -33.414 1.00 0.00 C ATOM 507 C GLN A 38 4.790 9.565 -32.569 1.00 0.00 C ATOM 508 O GLN A 38 4.436 9.734 -31.402 1.00 0.00 O ATOM 509 CB GLN A 38 4.084 11.418 -34.090 1.00 0.00 C ATOM 510 CG GLN A 38 3.189 12.075 -33.034 1.00 0.00 C ATOM 511 CD GLN A 38 3.926 13.240 -32.384 1.00 0.00 C ATOM 512 OE1 GLN A 38 4.659 13.966 -33.058 1.00 0.00 O ATOM 513 NE2 GLN A 38 3.774 13.468 -31.108 1.00 0.00 N ATOM 0 HA GLN A 38 5.785 11.454 -32.767 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.435 12.168 -34.798 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.512 10.685 -34.659 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.267 12.428 -33.495 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.907 11.343 -32.277 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.167 12.866 -30.551 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.262 14.248 -30.668 1.00 0.00 H new ATOM 522 N VAL A 39 4.771 8.377 -33.164 1.00 0.00 N ATOM 523 CA VAL A 39 4.322 7.186 -32.454 1.00 0.00 C ATOM 524 C VAL A 39 5.228 6.907 -31.259 1.00 0.00 C ATOM 525 O VAL A 39 4.950 6.023 -30.449 1.00 0.00 O ATOM 526 CB VAL A 39 4.324 5.983 -33.396 1.00 0.00 C ATOM 527 CG1 VAL A 39 3.435 6.279 -34.605 1.00 0.00 C ATOM 528 CG2 VAL A 39 5.755 5.707 -33.866 1.00 0.00 C ATOM 0 H VAL A 39 5.059 8.214 -34.129 1.00 0.00 H new ATOM 0 HA VAL A 39 3.308 7.358 -32.094 1.00 0.00 H new ATOM 0 HB VAL A 39 3.940 5.109 -32.871 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.437 5.421 -35.277 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.417 6.475 -34.269 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.817 7.153 -35.132 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.758 4.849 -34.538 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.140 6.581 -34.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.387 5.494 -33.003 1.00 0.00 H new ATOM 538 N ASP A 40 6.315 7.667 -31.160 1.00 0.00 N ATOM 539 CA ASP A 40 7.259 7.495 -30.060 1.00 0.00 C ATOM 540 C ASP A 40 6.592 7.818 -28.728 1.00 0.00 C ATOM 541 O ASP A 40 6.877 7.186 -27.712 1.00 0.00 O ATOM 542 CB ASP A 40 8.468 8.410 -30.261 1.00 0.00 C ATOM 543 CG ASP A 40 8.012 9.861 -30.363 1.00 0.00 C ATOM 544 OD1 ASP A 40 6.817 10.078 -30.487 1.00 0.00 O ATOM 545 OD2 ASP A 40 8.863 10.734 -30.321 1.00 0.00 O ATOM 0 H ASP A 40 6.563 8.402 -31.822 1.00 0.00 H new ATOM 0 HA ASP A 40 7.588 6.456 -30.048 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.163 8.296 -29.429 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.004 8.124 -31.166 1.00 0.00 H new ATOM 550 N GLU A 41 5.702 8.805 -28.739 1.00 0.00 N ATOM 551 CA GLU A 41 4.999 9.202 -27.525 1.00 0.00 C ATOM 552 C GLU A 41 4.071 8.088 -27.050 1.00 0.00 C ATOM 553 O GLU A 41 3.935 7.847 -25.851 1.00 0.00 O ATOM 554 CB GLU A 41 4.185 10.472 -27.782 1.00 0.00 C ATOM 555 CG GLU A 41 5.134 11.651 -28.004 1.00 0.00 C ATOM 556 CD GLU A 41 4.335 12.904 -28.348 1.00 0.00 C ATOM 557 OE1 GLU A 41 3.120 12.809 -28.414 1.00 0.00 O ATOM 558 OE2 GLU A 41 4.950 13.941 -28.535 1.00 0.00 O ATOM 0 H GLU A 41 5.452 9.342 -29.570 1.00 0.00 H new ATOM 0 HA GLU A 41 5.740 9.396 -26.749 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.546 10.337 -28.655 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.529 10.674 -26.935 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.729 11.824 -27.107 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.831 11.421 -28.810 1.00 0.00 H new ATOM 565 N VAL A 42 3.436 7.409 -27.997 1.00 0.00 N ATOM 566 CA VAL A 42 2.521 6.323 -27.662 1.00 0.00 C ATOM 567 C VAL A 42 3.216 5.293 -26.776 1.00 0.00 C ATOM 568 O VAL A 42 2.562 4.469 -26.136 1.00 0.00 O ATOM 569 CB VAL A 42 2.021 5.648 -28.939 1.00 0.00 C ATOM 570 CG1 VAL A 42 1.154 4.441 -28.576 1.00 0.00 C ATOM 571 CG2 VAL A 42 1.190 6.646 -29.750 1.00 0.00 C ATOM 0 H VAL A 42 3.536 7.588 -28.996 1.00 0.00 H new ATOM 0 HA VAL A 42 1.673 6.741 -27.118 1.00 0.00 H new ATOM 0 HB VAL A 42 2.874 5.316 -29.531 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.798 3.961 -29.488 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.744 3.730 -27.998 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.301 4.771 -27.983 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.833 6.166 -30.661 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.338 6.977 -29.156 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.807 7.506 -30.011 1.00 0.00 H new ATOM 581 N VAL A 43 4.541 5.343 -26.747 1.00 0.00 N ATOM 582 CA VAL A 43 5.316 4.408 -25.939 1.00 0.00 C ATOM 583 C VAL A 43 4.986 4.575 -24.458 1.00 0.00 C ATOM 584 O VAL A 43 4.822 3.592 -23.736 1.00 0.00 O ATOM 585 CB VAL A 43 6.812 4.638 -26.160 1.00 0.00 C ATOM 586 CG1 VAL A 43 7.614 3.708 -25.245 1.00 0.00 C ATOM 587 CG2 VAL A 43 7.160 4.344 -27.621 1.00 0.00 C ATOM 0 H VAL A 43 5.100 6.017 -27.270 1.00 0.00 H new ATOM 0 HA VAL A 43 5.057 3.394 -26.245 1.00 0.00 H new ATOM 0 HB VAL A 43 7.060 5.674 -25.928 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.680 3.872 -25.403 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.365 3.917 -24.205 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.369 2.671 -25.475 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.226 4.507 -27.781 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.913 3.308 -27.853 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.590 5.007 -28.271 1.00 0.00 H new ATOM 597 N ASP A 44 4.897 5.823 -24.012 1.00 0.00 N ATOM 598 CA ASP A 44 4.591 6.104 -22.614 1.00 0.00 C ATOM 599 C ASP A 44 3.206 5.577 -22.251 1.00 0.00 C ATOM 600 O ASP A 44 2.982 5.118 -21.132 1.00 0.00 O ATOM 601 CB ASP A 44 4.650 7.613 -22.358 1.00 0.00 C ATOM 602 CG ASP A 44 3.499 8.319 -23.071 1.00 0.00 C ATOM 603 OD1 ASP A 44 2.360 8.014 -22.762 1.00 0.00 O ATOM 604 OD2 ASP A 44 3.776 9.164 -23.906 1.00 0.00 O ATOM 0 H ASP A 44 5.031 6.651 -24.593 1.00 0.00 H new ATOM 0 HA ASP A 44 5.332 5.602 -21.992 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.598 7.809 -21.287 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.602 8.011 -22.709 1.00 0.00 H new ATOM 609 N ILE A 45 2.283 5.646 -23.202 1.00 0.00 N ATOM 610 CA ILE A 45 0.923 5.175 -22.966 1.00 0.00 C ATOM 611 C ILE A 45 0.918 3.674 -22.695 1.00 0.00 C ATOM 612 O ILE A 45 0.237 3.199 -21.787 1.00 0.00 O ATOM 613 CB ILE A 45 0.041 5.483 -24.181 1.00 0.00 C ATOM 614 CG1 ILE A 45 0.121 6.982 -24.496 1.00 0.00 C ATOM 615 CG2 ILE A 45 -1.412 5.104 -23.875 1.00 0.00 C ATOM 616 CD1 ILE A 45 -0.712 7.296 -25.744 1.00 0.00 C ATOM 0 H ILE A 45 2.448 6.020 -24.136 1.00 0.00 H new ATOM 0 HA ILE A 45 0.525 5.692 -22.093 1.00 0.00 H new ATOM 0 HB ILE A 45 0.390 4.907 -25.038 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.245 7.561 -23.648 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.159 7.274 -24.657 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.036 5.325 -24.741 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.470 4.040 -23.647 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.765 5.678 -23.018 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.652 8.362 -25.963 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.326 6.729 -26.591 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.752 7.020 -25.566 1.00 0.00 H new ATOM 628 N MET A 46 1.681 2.933 -23.491 1.00 0.00 N ATOM 629 CA MET A 46 1.756 1.487 -23.332 1.00 0.00 C ATOM 630 C MET A 46 2.342 1.133 -21.968 1.00 0.00 C ATOM 631 O MET A 46 1.911 0.175 -21.326 1.00 0.00 O ATOM 632 CB MET A 46 2.623 0.882 -24.448 1.00 0.00 C ATOM 633 CG MET A 46 1.797 0.736 -25.730 1.00 0.00 C ATOM 634 SD MET A 46 0.934 2.290 -26.070 1.00 0.00 S ATOM 635 CE MET A 46 -0.496 1.575 -26.917 1.00 0.00 C ATOM 0 H MET A 46 2.253 3.308 -24.248 1.00 0.00 H new ATOM 0 HA MET A 46 0.749 1.075 -23.398 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.488 1.518 -24.633 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.003 -0.091 -24.138 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.446 0.477 -26.566 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.078 -0.076 -25.622 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.175 2.372 -27.221 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.161 1.028 -27.798 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.015 0.894 -26.243 1.00 0.00 H new ATOM 645 N ARG A 47 3.328 1.908 -21.534 1.00 0.00 N ATOM 646 CA ARG A 47 3.967 1.660 -20.249 1.00 0.00 C ATOM 647 C ARG A 47 2.956 1.793 -19.115 1.00 0.00 C ATOM 648 O ARG A 47 2.962 1.006 -18.169 1.00 0.00 O ATOM 649 CB ARG A 47 5.111 2.653 -20.037 1.00 0.00 C ATOM 650 CG ARG A 47 6.265 2.312 -20.981 1.00 0.00 C ATOM 651 CD ARG A 47 7.397 3.322 -20.789 1.00 0.00 C ATOM 652 NE ARG A 47 8.496 3.026 -21.704 1.00 0.00 N ATOM 653 CZ ARG A 47 9.438 2.142 -21.389 1.00 0.00 C ATOM 654 NH1 ARG A 47 9.391 1.519 -20.243 1.00 0.00 N ATOM 655 NH2 ARG A 47 10.408 1.895 -22.226 1.00 0.00 N ATOM 0 H ARG A 47 3.700 2.707 -22.048 1.00 0.00 H new ATOM 0 HA ARG A 47 4.363 0.645 -20.249 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.764 3.669 -20.223 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.451 2.617 -19.002 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.626 1.303 -20.782 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.920 2.329 -22.015 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.028 4.332 -20.967 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.753 3.290 -19.759 1.00 0.00 H new ATOM 0 HE ARG A 47 8.542 3.507 -22.602 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.632 1.710 -19.589 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.114 0.841 -20.001 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.444 2.380 -23.123 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.130 1.217 -21.984 1.00 0.00 H new ATOM 669 N VAL A 48 2.089 2.793 -19.218 1.00 0.00 N ATOM 670 CA VAL A 48 1.076 3.020 -18.197 1.00 0.00 C ATOM 671 C VAL A 48 0.105 1.847 -18.136 1.00 0.00 C ATOM 672 O VAL A 48 -0.264 1.389 -17.054 1.00 0.00 O ATOM 673 CB VAL A 48 0.308 4.314 -18.496 1.00 0.00 C ATOM 674 CG1 VAL A 48 -0.863 4.461 -17.520 1.00 0.00 C ATOM 675 CG2 VAL A 48 1.247 5.514 -18.342 1.00 0.00 C ATOM 0 H VAL A 48 2.067 3.455 -19.993 1.00 0.00 H new ATOM 0 HA VAL A 48 1.574 3.113 -17.232 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.074 4.275 -19.516 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.404 5.382 -17.737 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.536 3.610 -17.628 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.483 4.496 -16.499 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.701 6.433 -18.555 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.630 5.547 -17.322 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.079 5.417 -19.039 1.00 0.00 H new ATOM 685 N ASN A 49 -0.311 1.368 -19.301 1.00 0.00 N ATOM 686 CA ASN A 49 -1.246 0.253 -19.362 1.00 0.00 C ATOM 687 C ASN A 49 -0.654 -0.964 -18.662 1.00 0.00 C ATOM 688 O ASN A 49 -1.354 -1.684 -17.949 1.00 0.00 O ATOM 689 CB ASN A 49 -1.551 -0.090 -20.823 1.00 0.00 C ATOM 690 CG ASN A 49 -2.517 -1.267 -20.892 1.00 0.00 C ATOM 691 OD1 ASN A 49 -2.885 -1.831 -19.862 1.00 0.00 O ATOM 692 ND2 ASN A 49 -2.953 -1.675 -22.053 1.00 0.00 N ATOM 0 H ASN A 49 -0.019 1.730 -20.209 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.170 0.539 -18.859 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.983 0.775 -21.326 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.628 -0.336 -21.348 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.599 -2.462 -22.107 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.647 -1.207 -22.906 1.00 0.00 H new ATOM 699 N VAL A 50 0.637 -1.187 -18.867 1.00 0.00 N ATOM 700 CA VAL A 50 1.312 -2.320 -18.245 1.00 0.00 C ATOM 701 C VAL A 50 1.360 -2.157 -16.733 1.00 0.00 C ATOM 702 O VAL A 50 1.121 -3.103 -15.983 1.00 0.00 O ATOM 703 CB VAL A 50 2.731 -2.460 -18.802 1.00 0.00 C ATOM 704 CG1 VAL A 50 3.476 -3.564 -18.046 1.00 0.00 C ATOM 705 CG2 VAL A 50 2.659 -2.822 -20.289 1.00 0.00 C ATOM 0 H VAL A 50 1.234 -0.605 -19.454 1.00 0.00 H new ATOM 0 HA VAL A 50 0.747 -3.223 -18.477 1.00 0.00 H new ATOM 0 HB VAL A 50 3.262 -1.516 -18.679 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.486 -3.661 -18.445 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.527 -3.309 -16.987 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.946 -4.509 -18.167 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.668 -2.922 -20.688 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.126 -3.765 -20.408 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.131 -2.036 -20.830 1.00 0.00 H new ATOM 715 N ASP A 51 1.679 -0.952 -16.298 1.00 0.00 N ATOM 716 CA ASP A 51 1.769 -0.662 -14.869 1.00 0.00 C ATOM 717 C ASP A 51 0.379 -0.570 -14.245 1.00 0.00 C ATOM 718 O ASP A 51 0.233 -0.607 -13.023 1.00 0.00 O ATOM 719 CB ASP A 51 2.519 0.654 -14.645 1.00 0.00 C ATOM 720 CG ASP A 51 3.993 0.482 -14.997 1.00 0.00 C ATOM 721 OD1 ASP A 51 4.418 -0.652 -15.141 1.00 0.00 O ATOM 722 OD2 ASP A 51 4.675 1.486 -15.116 1.00 0.00 O ATOM 0 H ASP A 51 1.880 -0.158 -16.906 1.00 0.00 H new ATOM 0 HA ASP A 51 2.314 -1.476 -14.391 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.080 1.441 -15.258 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.419 0.966 -13.606 1.00 0.00 H new ATOM 727 N LYS A 52 -0.637 -0.449 -15.093 1.00 0.00 N ATOM 728 CA LYS A 52 -2.008 -0.350 -14.620 1.00 0.00 C ATOM 729 C LYS A 52 -2.438 -1.656 -13.970 1.00 0.00 C ATOM 730 O LYS A 52 -3.223 -1.661 -13.022 1.00 0.00 O ATOM 731 CB LYS A 52 -2.943 -0.017 -15.786 1.00 0.00 C ATOM 732 CG LYS A 52 -4.352 0.244 -15.253 1.00 0.00 C ATOM 733 CD LYS A 52 -5.269 0.637 -16.412 1.00 0.00 C ATOM 734 CE LYS A 52 -6.675 0.917 -15.878 1.00 0.00 C ATOM 735 NZ LYS A 52 -7.564 1.318 -17.005 1.00 0.00 N ATOM 0 H LYS A 52 -0.535 -0.417 -16.107 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.064 0.447 -13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.577 0.860 -16.320 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.960 -0.841 -16.499 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.736 -0.647 -14.757 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.329 1.039 -14.507 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.877 1.521 -16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.302 -0.163 -17.151 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.072 0.029 -15.386 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.640 1.708 -15.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.520 1.508 -16.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.187 2.176 -17.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.606 0.550 -17.704 1.00 0.00 H new ATOM 1144 N THR A 79 14.298 3.584 0.385 1.00 0.00 N ATOM 1145 CA THR A 79 13.418 4.557 -0.252 1.00 0.00 C ATOM 1146 C THR A 79 14.217 5.760 -0.743 1.00 0.00 C ATOM 1147 O THR A 79 13.913 6.333 -1.789 1.00 0.00 O ATOM 1148 CB THR A 79 12.347 5.020 0.738 1.00 0.00 C ATOM 1149 OG1 THR A 79 11.556 6.036 0.135 1.00 0.00 O ATOM 1150 CG2 THR A 79 13.017 5.571 1.996 1.00 0.00 C ATOM 0 HA THR A 79 12.938 4.081 -1.107 1.00 0.00 H new ATOM 0 HB THR A 79 11.712 4.177 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.868 6.333 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.253 5.900 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.623 4.791 2.457 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.653 6.415 1.729 1.00 0.00 H new ATOM 1158 N SER A 80 15.236 6.140 0.022 1.00 0.00 N ATOM 1159 CA SER A 80 16.070 7.279 -0.344 1.00 0.00 C ATOM 1160 C SER A 80 16.766 7.029 -1.679 1.00 0.00 C ATOM 1161 O SER A 80 16.832 7.916 -2.530 1.00 0.00 O ATOM 1162 CB SER A 80 17.120 7.527 0.740 1.00 0.00 C ATOM 1163 OG SER A 80 17.897 8.664 0.389 1.00 0.00 O ATOM 0 H SER A 80 15.502 5.680 0.892 1.00 0.00 H new ATOM 0 HA SER A 80 15.430 8.156 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.635 7.687 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.762 6.653 0.848 1.00 0.00 H new ATOM 0 HG SER A 80 18.570 8.827 1.082 1.00 0.00 H new ATOM 1169 N ALA A 81 17.282 5.817 -1.854 1.00 0.00 N ATOM 1170 CA ALA A 81 17.971 5.463 -3.091 1.00 0.00 C ATOM 1171 C ALA A 81 17.012 5.518 -4.276 1.00 0.00 C ATOM 1172 O ALA A 81 17.387 5.940 -5.370 1.00 0.00 O ATOM 1173 CB ALA A 81 18.559 4.056 -2.975 1.00 0.00 C ATOM 0 H ALA A 81 17.237 5.069 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 81 18.774 6.182 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 81 19.072 3.798 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.268 4.025 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.757 3.340 -2.793 1.00 0.00 H new ATOM 1179 N ALA A 82 15.776 5.085 -4.053 1.00 0.00 N ATOM 1180 CA ALA A 82 14.775 5.088 -5.113 1.00 0.00 C ATOM 1181 C ALA A 82 14.493 6.513 -5.574 1.00 0.00 C ATOM 1182 O ALA A 82 14.307 6.766 -6.764 1.00 0.00 O ATOM 1183 CB ALA A 82 13.480 4.446 -4.612 1.00 0.00 C ATOM 0 H ALA A 82 15.445 4.730 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 82 15.161 4.513 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.738 4.453 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.677 3.418 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.101 5.009 -3.760 1.00 0.00 H new ATOM 1189 N LYS A 83 14.459 7.439 -4.624 1.00 0.00 N ATOM 1190 CA LYS A 83 14.195 8.832 -4.950 1.00 0.00 C ATOM 1191 C LYS A 83 15.283 9.386 -5.856 1.00 0.00 C ATOM 1192 O LYS A 83 14.999 10.064 -6.842 1.00 0.00 O ATOM 1193 CB LYS A 83 14.130 9.667 -3.667 1.00 0.00 C ATOM 1194 CG LYS A 83 13.454 11.025 -3.949 1.00 0.00 C ATOM 1195 CD LYS A 83 11.934 10.899 -3.797 1.00 0.00 C ATOM 1196 CE LYS A 83 11.278 12.239 -4.119 1.00 0.00 C ATOM 1197 NZ LYS A 83 11.728 13.257 -3.129 1.00 0.00 N ATOM 0 H LYS A 83 14.609 7.253 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 83 13.239 8.886 -5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.573 9.127 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 83 15.135 9.827 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.835 11.779 -3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.700 11.360 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.554 10.126 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.683 10.594 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.544 12.554 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.193 12.142 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.058 14.052 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.769 12.827 -2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.672 13.604 -3.392 1.00 0.00 H new ATOM 1211 N LEU A 84 16.529 9.101 -5.507 1.00 0.00 N ATOM 1212 CA LEU A 84 17.655 9.587 -6.290 1.00 0.00 C ATOM 1213 C LEU A 84 17.609 9.003 -7.694 1.00 0.00 C ATOM 1214 O LEU A 84 17.890 9.686 -8.676 1.00 0.00 O ATOM 1215 CB LEU A 84 18.972 9.196 -5.615 1.00 0.00 C ATOM 1216 CG LEU A 84 20.153 9.921 -6.293 1.00 0.00 C ATOM 1217 CD1 LEU A 84 20.305 11.343 -5.734 1.00 0.00 C ATOM 1218 CD2 LEU A 84 21.452 9.143 -6.042 1.00 0.00 C ATOM 0 H LEU A 84 16.785 8.541 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 84 17.592 10.673 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.937 9.453 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.114 8.117 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 84 19.954 9.977 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.143 11.839 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.391 11.907 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.489 11.294 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.284 9.659 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.636 9.079 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 84 21.360 8.139 -6.455 1.00 0.00 H new ATOM 1230 N LYS A 85 17.263 7.734 -7.784 1.00 0.00 N ATOM 1231 CA LYS A 85 17.189 7.074 -9.076 1.00 0.00 C ATOM 1232 C LYS A 85 16.122 7.720 -9.954 1.00 0.00 C ATOM 1233 O LYS A 85 16.323 7.912 -11.153 1.00 0.00 O ATOM 1234 CB LYS A 85 16.873 5.590 -8.883 1.00 0.00 C ATOM 1235 CG LYS A 85 16.638 4.909 -10.258 1.00 0.00 C ATOM 1236 CD LYS A 85 15.128 4.739 -10.520 1.00 0.00 C ATOM 1237 CE LYS A 85 14.623 3.476 -9.822 1.00 0.00 C ATOM 1238 NZ LYS A 85 14.985 2.291 -10.646 1.00 0.00 N ATOM 0 H LYS A 85 17.030 7.142 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 85 18.154 7.178 -9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.696 5.100 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.988 5.478 -8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.086 5.509 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.129 3.936 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.585 5.610 -10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.940 4.674 -11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.064 3.393 -8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.542 3.526 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.452 1.462 -10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.752 2.477 -11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.004 2.105 -10.558 1.00 0.00 H new ATOM 1252 N ARG A 86 14.987 8.046 -9.350 1.00 0.00 N ATOM 1253 CA ARG A 86 13.886 8.665 -10.083 1.00 0.00 C ATOM 1254 C ARG A 86 14.269 10.052 -10.579 1.00 0.00 C ATOM 1255 O ARG A 86 13.873 10.468 -11.667 1.00 0.00 O ATOM 1256 CB ARG A 86 12.651 8.751 -9.190 1.00 0.00 C ATOM 1257 CG ARG A 86 11.470 9.307 -9.994 1.00 0.00 C ATOM 1258 CD ARG A 86 10.224 9.356 -9.108 1.00 0.00 C ATOM 1259 NE ARG A 86 9.057 9.728 -9.900 1.00 0.00 N ATOM 1260 CZ ARG A 86 7.860 9.863 -9.340 1.00 0.00 C ATOM 1261 NH1 ARG A 86 7.713 9.661 -8.059 1.00 0.00 N ATOM 1262 NH2 ARG A 86 6.831 10.196 -10.070 1.00 0.00 N ATOM 0 H ARG A 86 14.803 7.894 -8.358 1.00 0.00 H new ATOM 0 HA ARG A 86 13.662 8.045 -10.951 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.404 7.764 -8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.854 9.393 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.706 10.305 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.284 8.681 -10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.062 8.384 -8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.370 10.075 -8.302 1.00 0.00 H new ATOM 0 HE ARG A 86 9.162 9.887 -10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.517 9.400 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.794 9.765 -7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.945 10.353 -11.071 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.912 10.299 -9.639 1.00 0.00 H new ATOM 1403 N LEU A 93 19.907 1.380 -11.026 1.00 0.00 N ATOM 1404 CA LEU A 93 21.061 0.876 -10.290 1.00 0.00 C ATOM 1405 C LEU A 93 20.712 -0.429 -9.589 1.00 0.00 C ATOM 1406 O LEU A 93 21.527 -1.348 -9.521 1.00 0.00 O ATOM 1407 CB LEU A 93 21.520 1.916 -9.256 1.00 0.00 C ATOM 1408 CG LEU A 93 22.373 2.984 -9.942 1.00 0.00 C ATOM 1409 CD1 LEU A 93 21.555 3.659 -11.046 1.00 0.00 C ATOM 1410 CD2 LEU A 93 22.801 4.030 -8.911 1.00 0.00 C ATOM 0 HA LEU A 93 21.871 0.691 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 93 20.654 2.378 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 93 22.094 1.430 -8.467 1.00 0.00 H new ATOM 0 HG LEU A 93 23.257 2.520 -10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 93 22.163 4.420 -11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 93 21.248 2.913 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 93 20.671 4.125 -10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.409 4.793 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 93 21.916 4.495 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 93 23.383 3.549 -8.125 1.00 0.00 H new ATOM 1422 N LYS A 94 19.500 -0.502 -9.057 1.00 0.00 N ATOM 1423 CA LYS A 94 19.068 -1.697 -8.348 1.00 0.00 C ATOM 1424 C LYS A 94 19.146 -2.915 -9.262 1.00 0.00 C ATOM 1425 O LYS A 94 19.602 -3.981 -8.851 1.00 0.00 O ATOM 1426 CB LYS A 94 17.628 -1.521 -7.861 1.00 0.00 C ATOM 1427 CG LYS A 94 17.241 -2.660 -6.897 1.00 0.00 C ATOM 1428 CD LYS A 94 17.720 -2.337 -5.475 1.00 0.00 C ATOM 1429 CE LYS A 94 17.208 -3.405 -4.512 1.00 0.00 C ATOM 1430 NZ LYS A 94 15.722 -3.330 -4.442 1.00 0.00 N ATOM 0 H LYS A 94 18.805 0.244 -9.102 1.00 0.00 H new ATOM 0 HA LYS A 94 19.727 -1.850 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.523 -0.560 -7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.948 -1.511 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.160 -2.799 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.684 -3.597 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.809 -2.298 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.358 -1.355 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.519 -4.394 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.639 -3.255 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.395 -3.748 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.422 -2.335 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.310 -3.854 -5.240 1.00 0.00 H new ATOM 1444 N MET A 95 18.695 -2.753 -10.499 1.00 0.00 N ATOM 1445 CA MET A 95 18.716 -3.853 -11.454 1.00 0.00 C ATOM 1446 C MET A 95 20.152 -4.262 -11.764 1.00 0.00 C ATOM 1447 O MET A 95 20.457 -5.447 -11.898 1.00 0.00 O ATOM 1448 CB MET A 95 18.016 -3.436 -12.746 1.00 0.00 C ATOM 1449 CG MET A 95 16.538 -3.159 -12.458 1.00 0.00 C ATOM 1450 SD MET A 95 15.695 -2.712 -13.995 1.00 0.00 S ATOM 1451 CE MET A 95 14.119 -2.217 -13.255 1.00 0.00 C ATOM 0 H MET A 95 18.314 -1.879 -10.862 1.00 0.00 H new ATOM 0 HA MET A 95 18.192 -4.702 -11.014 1.00 0.00 H new ATOM 0 HB2 MET A 95 18.490 -2.546 -13.158 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.111 -4.223 -13.494 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.071 -4.040 -12.018 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.443 -2.352 -11.731 1.00 0.00 H new ATOM 0 HE1 MET A 95 13.433 -1.897 -14.040 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.688 -3.062 -12.718 1.00 0.00 H new ATOM 0 HE3 MET A 95 14.286 -1.393 -12.561 1.00 0.00 H new ATOM 1461 N MET A 96 21.032 -3.272 -11.882 1.00 0.00 N ATOM 1462 CA MET A 96 22.432 -3.542 -12.184 1.00 0.00 C ATOM 1463 C MET A 96 23.060 -4.386 -11.078 1.00 0.00 C ATOM 1464 O MET A 96 23.833 -5.305 -11.349 1.00 0.00 O ATOM 1465 CB MET A 96 23.200 -2.226 -12.327 1.00 0.00 C ATOM 1466 CG MET A 96 24.652 -2.518 -12.712 1.00 0.00 C ATOM 1467 SD MET A 96 25.523 -0.957 -13.005 1.00 0.00 S ATOM 1468 CE MET A 96 25.463 -0.331 -11.308 1.00 0.00 C ATOM 0 H MET A 96 20.802 -2.284 -11.774 1.00 0.00 H new ATOM 0 HA MET A 96 22.485 -4.093 -13.123 1.00 0.00 H new ATOM 0 HB2 MET A 96 22.731 -1.600 -13.086 1.00 0.00 H new ATOM 0 HB3 MET A 96 23.166 -1.670 -11.390 1.00 0.00 H new ATOM 0 HG2 MET A 96 25.145 -3.078 -11.917 1.00 0.00 H new ATOM 0 HG3 MET A 96 24.685 -3.139 -13.607 1.00 0.00 H new ATOM 0 HE1 MET A 96 26.285 0.367 -11.148 1.00 0.00 H new ATOM 0 HE2 MET A 96 24.515 0.181 -11.142 1.00 0.00 H new ATOM 0 HE3 MET A 96 25.553 -1.163 -10.610 1.00 0.00 H new ATOM 1478 N ILE A 97 22.724 -4.066 -9.833 1.00 0.00 N ATOM 1479 CA ILE A 97 23.261 -4.803 -8.694 1.00 0.00 C ATOM 1480 C ILE A 97 22.791 -6.254 -8.727 1.00 0.00 C ATOM 1481 O ILE A 97 23.570 -7.175 -8.483 1.00 0.00 O ATOM 1482 CB ILE A 97 22.811 -4.146 -7.385 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.472 -2.771 -7.256 1.00 0.00 C ATOM 1484 CG2 ILE A 97 23.227 -5.022 -6.198 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.827 -2.000 -6.104 1.00 0.00 C ATOM 0 H ILE A 97 22.088 -3.308 -9.587 1.00 0.00 H new ATOM 0 HA ILE A 97 24.349 -4.784 -8.752 1.00 0.00 H new ATOM 0 HB ILE A 97 21.727 -4.035 -7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.541 -2.885 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.362 -2.214 -8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.906 -4.552 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.761 -6.003 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.311 -5.135 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 97 23.298 -1.021 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.763 -1.874 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.960 -2.555 -5.175 1.00 0.00 H new ATOM 1497 N ILE A 98 21.511 -6.450 -9.024 1.00 0.00 N ATOM 1498 CA ILE A 98 20.945 -7.793 -9.075 1.00 0.00 C ATOM 1499 C ILE A 98 21.623 -8.613 -10.169 1.00 0.00 C ATOM 1500 O ILE A 98 21.949 -9.782 -9.970 1.00 0.00 O ATOM 1501 CB ILE A 98 19.438 -7.714 -9.344 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.739 -7.082 -8.137 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.879 -9.122 -9.571 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.293 -6.744 -8.504 1.00 0.00 C ATOM 0 H ILE A 98 20.850 -5.702 -9.232 1.00 0.00 H new ATOM 0 HA ILE A 98 21.114 -8.280 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 98 19.262 -7.107 -10.232 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.760 -7.769 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.267 -6.180 -7.828 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.808 -9.062 -9.762 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.375 -9.577 -10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 98 19.056 -9.731 -8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.795 -6.294 -7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.284 -6.042 -9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.768 -7.655 -8.791 1.00 0.00 H new ATOM 1516 N LEU A 99 21.828 -7.992 -11.321 1.00 0.00 N ATOM 1517 CA LEU A 99 22.463 -8.672 -12.444 1.00 0.00 C ATOM 1518 C LEU A 99 23.886 -9.081 -12.089 1.00 0.00 C ATOM 1519 O LEU A 99 24.336 -10.170 -12.446 1.00 0.00 O ATOM 1520 CB LEU A 99 22.482 -7.754 -13.667 1.00 0.00 C ATOM 1521 CG LEU A 99 21.049 -7.561 -14.191 1.00 0.00 C ATOM 1522 CD1 LEU A 99 21.037 -6.419 -15.214 1.00 0.00 C ATOM 1523 CD2 LEU A 99 20.520 -8.859 -14.847 1.00 0.00 C ATOM 0 H LEU A 99 21.566 -7.023 -11.504 1.00 0.00 H new ATOM 0 HA LEU A 99 21.888 -9.569 -12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.916 -6.790 -13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.110 -8.184 -14.447 1.00 0.00 H new ATOM 0 HG LEU A 99 20.398 -7.316 -13.352 1.00 0.00 H new ATOM 0 HD11 LEU A 99 20.023 -6.277 -15.589 1.00 0.00 H new ATOM 0 HD12 LEU A 99 21.379 -5.500 -14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.700 -6.666 -16.043 1.00 0.00 H new ATOM 0 HD21 LEU A 99 19.505 -8.696 -15.209 1.00 0.00 H new ATOM 0 HD22 LEU A 99 21.164 -9.133 -15.683 1.00 0.00 H new ATOM 0 HD23 LEU A 99 20.518 -9.664 -14.112 1.00 0.00 H new ATOM 1535 N GLY A 100 24.589 -8.203 -11.389 1.00 0.00 N ATOM 1536 CA GLY A 100 25.962 -8.483 -10.996 1.00 0.00 C ATOM 1537 C GLY A 100 26.034 -9.709 -10.093 1.00 0.00 C ATOM 1538 O GLY A 100 26.992 -10.480 -10.155 1.00 0.00 O ATOM 0 H GLY A 100 24.235 -7.297 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.572 -8.645 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.378 -7.620 -10.477 1.00 0.00 H new ATOM 1542 N VAL A 101 25.019 -9.887 -9.256 1.00 0.00 N ATOM 1543 CA VAL A 101 24.989 -11.026 -8.347 1.00 0.00 C ATOM 1544 C VAL A 101 24.970 -12.337 -9.129 1.00 0.00 C ATOM 1545 O VAL A 101 25.719 -13.263 -8.820 1.00 0.00 O ATOM 1546 CB VAL A 101 23.747 -10.942 -7.449 1.00 0.00 C ATOM 1547 CG1 VAL A 101 23.605 -12.232 -6.632 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.883 -9.749 -6.498 1.00 0.00 C ATOM 0 H VAL A 101 24.214 -9.265 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 101 25.887 -11.001 -7.730 1.00 0.00 H new ATOM 0 HB VAL A 101 22.863 -10.813 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.722 -12.165 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 101 23.503 -13.081 -7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 101 24.490 -12.368 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 101 23.001 -9.690 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.771 -9.877 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.974 -8.830 -7.077 1.00 0.00 H new ATOM 1558 N ILE A 102 24.110 -12.413 -10.141 1.00 0.00 N ATOM 1559 CA ILE A 102 24.000 -13.623 -10.949 1.00 0.00 C ATOM 1560 C ILE A 102 25.329 -13.945 -11.615 1.00 0.00 C ATOM 1561 O ILE A 102 25.811 -15.078 -11.572 1.00 0.00 O ATOM 1562 CB ILE A 102 22.925 -13.428 -12.015 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.595 -13.058 -11.345 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.750 -14.725 -12.804 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.634 -12.509 -12.396 1.00 0.00 C ATOM 0 H ILE A 102 23.484 -11.657 -10.419 1.00 0.00 H new ATOM 0 HA ILE A 102 23.727 -14.454 -10.299 1.00 0.00 H new ATOM 0 HB ILE A 102 23.227 -12.627 -12.689 1.00 0.00 H new ATOM 0 HG12 ILE A 102 21.162 -13.934 -10.863 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.762 -12.315 -10.565 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.982 -14.587 -13.566 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.693 -14.990 -13.283 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.450 -15.525 -12.127 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.688 -12.246 -11.922 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.068 -11.622 -12.858 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.458 -13.267 -13.160 1.00 0.00 H new ATOM 1577 N CYS A 103 25.914 -12.937 -12.226 1.00 0.00 N ATOM 1578 CA CYS A 103 27.198 -13.116 -12.899 1.00 0.00 C ATOM 1579 C CYS A 103 28.239 -13.658 -11.926 1.00 0.00 C ATOM 1580 O CYS A 103 29.101 -14.449 -12.305 1.00 0.00 O ATOM 1581 CB CYS A 103 27.689 -11.786 -13.474 1.00 0.00 C ATOM 1582 SG CYS A 103 26.457 -11.153 -14.632 1.00 0.00 S ATOM 0 H CYS A 103 25.532 -11.992 -12.275 1.00 0.00 H new ATOM 0 HA CYS A 103 27.058 -13.830 -13.710 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.855 -11.068 -12.671 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.644 -11.925 -13.980 1.00 0.00 H new ATOM 0 HG CYS A 103 25.444 -10.676 -13.971 1.00 0.00 H new ATOM 1588 N ALA A 104 28.152 -13.230 -10.671 1.00 0.00 N ATOM 1589 CA ALA A 104 29.097 -13.678 -9.656 1.00 0.00 C ATOM 1590 C ALA A 104 29.115 -15.198 -9.575 1.00 0.00 C ATOM 1591 O ALA A 104 30.172 -15.806 -9.415 1.00 0.00 O ATOM 1592 CB ALA A 104 28.707 -13.101 -8.292 1.00 0.00 C ATOM 0 H ALA A 104 27.443 -12.579 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 104 30.091 -13.327 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.417 -13.439 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.720 -12.012 -8.340 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.706 -13.440 -8.026 1.00 0.00 H new ATOM 1598 N ILE A 105 27.943 -15.805 -9.689 1.00 0.00 N ATOM 1599 CA ILE A 105 27.840 -17.263 -9.622 1.00 0.00 C ATOM 1600 C ILE A 105 28.611 -17.891 -10.780 1.00 0.00 C ATOM 1601 O ILE A 105 29.271 -18.917 -10.614 1.00 0.00 O ATOM 1602 CB ILE A 105 26.363 -17.699 -9.669 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.714 -17.500 -8.289 1.00 0.00 C ATOM 1604 CG2 ILE A 105 26.253 -19.181 -10.066 1.00 0.00 C ATOM 1605 CD1 ILE A 105 25.584 -16.006 -7.991 1.00 0.00 C ATOM 0 H ILE A 105 27.056 -15.321 -9.827 1.00 0.00 H new ATOM 0 HA ILE A 105 28.272 -17.603 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 105 25.848 -17.089 -10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 105 24.732 -17.972 -8.267 1.00 0.00 H new ATOM 0 HG13 ILE A 105 26.317 -17.983 -7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 105 25.203 -19.473 -10.095 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.697 -19.328 -11.050 1.00 0.00 H new ATOM 0 HG23 ILE A 105 26.780 -19.794 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 105 25.124 -15.869 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 105 26.573 -15.547 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 105 24.963 -15.536 -8.753 1.00 0.00 H new ATOM 1617 N ILE A 106 28.505 -17.287 -11.952 1.00 0.00 N ATOM 1618 CA ILE A 106 29.183 -17.824 -13.123 1.00 0.00 C ATOM 1619 C ILE A 106 30.687 -17.917 -12.872 1.00 0.00 C ATOM 1620 O ILE A 106 31.306 -18.940 -13.132 1.00 0.00 O ATOM 1621 CB ILE A 106 28.925 -16.921 -14.330 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.415 -16.750 -14.527 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.531 -17.551 -15.589 1.00 0.00 C ATOM 1624 CD1 ILE A 106 27.147 -15.759 -15.666 1.00 0.00 C ATOM 0 H ILE A 106 27.965 -16.438 -12.119 1.00 0.00 H new ATOM 0 HA ILE A 106 28.794 -18.822 -13.322 1.00 0.00 H new ATOM 0 HB ILE A 106 29.385 -15.949 -14.154 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.958 -17.713 -14.756 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.957 -16.391 -13.605 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.344 -16.904 -16.446 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.606 -17.673 -15.454 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.075 -18.525 -15.764 1.00 0.00 H new ATOM 0 HD11 ILE A 106 26.072 -15.642 -15.801 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.589 -14.794 -15.420 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.589 -16.136 -16.588 1.00 0.00 H new ATOM 1636 N LEU A 107 31.274 -16.849 -12.366 1.00 0.00 N ATOM 1637 CA LEU A 107 32.711 -16.843 -12.093 1.00 0.00 C ATOM 1638 C LEU A 107 33.068 -17.878 -11.025 1.00 0.00 C ATOM 1639 O LEU A 107 34.096 -18.555 -11.113 1.00 0.00 O ATOM 1640 CB LEU A 107 33.143 -15.444 -11.637 1.00 0.00 C ATOM 1641 CG LEU A 107 33.392 -14.550 -12.854 1.00 0.00 C ATOM 1642 CD1 LEU A 107 32.115 -14.441 -13.685 1.00 0.00 C ATOM 1643 CD2 LEU A 107 33.813 -13.160 -12.379 1.00 0.00 C ATOM 0 H LEU A 107 30.791 -15.981 -12.136 1.00 0.00 H new ATOM 0 HA LEU A 107 33.240 -17.105 -13.009 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.372 -15.005 -11.004 1.00 0.00 H new ATOM 0 HB3 LEU A 107 34.049 -15.513 -11.034 1.00 0.00 H new ATOM 0 HG LEU A 107 34.182 -14.983 -13.468 1.00 0.00 H new ATOM 0 HD11 LEU A 107 32.297 -13.804 -14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.814 -15.433 -14.022 1.00 0.00 H new ATOM 0 HD13 LEU A 107 31.321 -14.008 -13.077 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.992 -12.519 -13.242 1.00 0.00 H new ATOM 0 HD22 LEU A 107 33.021 -12.730 -11.765 1.00 0.00 H new ATOM 0 HD23 LEU A 107 34.727 -13.238 -11.790 1.00 0.00 H new ATOM 1655 N ILE A 108 32.221 -17.988 -10.014 1.00 0.00 N ATOM 1656 CA ILE A 108 32.466 -18.932 -8.931 1.00 0.00 C ATOM 1657 C ILE A 108 32.480 -20.364 -9.448 1.00 0.00 C ATOM 1658 O ILE A 108 33.321 -21.165 -9.048 1.00 0.00 O ATOM 1659 CB ILE A 108 31.384 -18.783 -7.855 1.00 0.00 C ATOM 1660 CG1 ILE A 108 31.556 -17.439 -7.142 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.506 -19.918 -6.832 1.00 0.00 C ATOM 1662 CD1 ILE A 108 30.317 -17.144 -6.288 1.00 0.00 C ATOM 0 H ILE A 108 31.365 -17.442 -9.919 1.00 0.00 H new ATOM 0 HA ILE A 108 33.443 -18.711 -8.501 1.00 0.00 H new ATOM 0 HB ILE A 108 30.402 -18.827 -8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 108 32.446 -17.461 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 108 31.703 -16.644 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.734 -19.806 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.382 -20.877 -7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.488 -19.880 -6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 108 30.443 -16.187 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 108 29.435 -17.103 -6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 108 30.190 -17.932 -5.546 1.00 0.00 H new ATOM 1674 N ILE A 109 31.533 -20.687 -10.318 1.00 0.00 N ATOM 1675 CA ILE A 109 31.442 -22.039 -10.850 1.00 0.00 C ATOM 1676 C ILE A 109 32.789 -22.462 -11.439 1.00 0.00 C ATOM 1677 O ILE A 109 33.163 -23.635 -11.391 1.00 0.00 O ATOM 1678 CB ILE A 109 30.317 -22.115 -11.919 1.00 0.00 C ATOM 1679 CG1 ILE A 109 29.612 -23.485 -11.844 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.881 -21.918 -13.340 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.549 -23.468 -10.736 1.00 0.00 C ATOM 0 H ILE A 109 30.825 -20.040 -10.667 1.00 0.00 H new ATOM 0 HA ILE A 109 31.192 -22.727 -10.043 1.00 0.00 H new ATOM 0 HB ILE A 109 29.606 -21.316 -11.711 1.00 0.00 H new ATOM 0 HG12 ILE A 109 29.147 -23.717 -12.802 1.00 0.00 H new ATOM 0 HG13 ILE A 109 30.343 -24.269 -11.646 1.00 0.00 H new ATOM 0 HG21 ILE A 109 30.069 -21.977 -14.065 1.00 0.00 H new ATOM 0 HG22 ILE A 109 31.360 -20.941 -13.409 1.00 0.00 H new ATOM 0 HG23 ILE A 109 31.614 -22.697 -13.552 1.00 0.00 H new ATOM 0 HD11 ILE A 109 28.056 -24.439 -10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 109 29.025 -23.257 -9.778 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.810 -22.696 -10.952 1.00 0.00 H new ATOM 1693 N ILE A 110 33.500 -21.495 -12.006 1.00 0.00 N ATOM 1694 CA ILE A 110 34.791 -21.776 -12.622 1.00 0.00 C ATOM 1695 C ILE A 110 35.799 -22.219 -11.577 1.00 0.00 C ATOM 1696 O ILE A 110 36.569 -23.153 -11.801 1.00 0.00 O ATOM 1697 CB ILE A 110 35.309 -20.537 -13.358 1.00 0.00 C ATOM 1698 CG1 ILE A 110 34.253 -20.048 -14.360 1.00 0.00 C ATOM 1699 CG2 ILE A 110 36.603 -20.870 -14.097 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.863 -21.165 -15.350 1.00 0.00 C ATOM 0 H ILE A 110 33.208 -20.519 -12.052 1.00 0.00 H new ATOM 0 HA ILE A 110 34.658 -22.585 -13.340 1.00 0.00 H new ATOM 0 HB ILE A 110 35.507 -19.750 -12.630 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.367 -19.709 -13.822 1.00 0.00 H new ATOM 0 HG13 ILE A 110 34.640 -19.190 -14.910 1.00 0.00 H new ATOM 0 HG21 ILE A 110 36.964 -19.983 -14.617 1.00 0.00 H new ATOM 0 HG22 ILE A 110 37.355 -21.202 -13.382 1.00 0.00 H new ATOM 0 HG23 ILE A 110 36.415 -21.663 -14.820 1.00 0.00 H new ATOM 0 HD11 ILE A 110 33.114 -20.789 -16.047 1.00 0.00 H new ATOM 0 HD12 ILE A 110 34.746 -21.485 -15.904 1.00 0.00 H new ATOM 0 HD13 ILE A 110 33.454 -22.012 -14.800 1.00 0.00 H new ATOM 1712 N ILE A 111 35.805 -21.536 -10.444 1.00 0.00 N ATOM 1713 CA ILE A 111 36.747 -21.866 -9.384 1.00 0.00 C ATOM 1714 C ILE A 111 36.564 -23.310 -8.918 1.00 0.00 C ATOM 1715 O ILE A 111 37.522 -24.083 -8.869 1.00 0.00 O ATOM 1716 CB ILE A 111 36.529 -20.921 -8.203 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.578 -19.464 -8.686 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.611 -21.153 -7.151 1.00 0.00 C ATOM 1719 CD1 ILE A 111 37.884 -19.181 -9.444 1.00 0.00 C ATOM 0 H ILE A 111 35.178 -20.759 -10.235 1.00 0.00 H new ATOM 0 HA ILE A 111 37.759 -21.755 -9.773 1.00 0.00 H new ATOM 0 HB ILE A 111 35.552 -21.118 -7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 111 35.725 -19.263 -9.335 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.495 -18.791 -7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.452 -20.477 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.563 -22.184 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.591 -20.963 -7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 111 37.895 -18.143 -9.776 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.733 -19.360 -8.785 1.00 0.00 H new ATOM 0 HD13 ILE A 111 37.952 -19.839 -10.310 1.00 0.00 H new ATOM 1731 N VAL A 112 35.335 -23.670 -8.586 1.00 0.00 N ATOM 1732 CA VAL A 112 35.040 -25.015 -8.136 1.00 0.00 C ATOM 1733 C VAL A 112 35.220 -26.010 -9.273 1.00 0.00 C ATOM 1734 O VAL A 112 35.775 -27.092 -9.086 1.00 0.00 O ATOM 1735 CB VAL A 112 33.607 -25.082 -7.612 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.505 -24.316 -6.291 1.00 0.00 C ATOM 1737 CG2 VAL A 112 32.642 -24.464 -8.628 1.00 0.00 C ATOM 0 H VAL A 112 34.528 -23.048 -8.621 1.00 0.00 H new ATOM 0 HA VAL A 112 35.731 -25.274 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 112 33.341 -26.127 -7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.481 -24.366 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 112 34.179 -24.762 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 112 33.782 -23.274 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 112 31.624 -24.518 -8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 112 32.911 -23.421 -8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 112 32.703 -25.012 -9.568 1.00 0.00 H new ATOM 1747 N TYR A 113 34.739 -25.635 -10.448 1.00 0.00 N ATOM 1748 CA TYR A 113 34.841 -26.503 -11.614 1.00 0.00 C ATOM 1749 C TYR A 113 36.296 -26.815 -11.930 1.00 0.00 C ATOM 1750 O TYR A 113 36.653 -27.955 -12.226 1.00 0.00 O ATOM 1751 CB TYR A 113 34.175 -25.845 -12.829 1.00 0.00 C ATOM 1752 CG TYR A 113 34.368 -26.717 -14.050 1.00 0.00 C ATOM 1753 CD1 TYR A 113 33.517 -27.807 -14.275 1.00 0.00 C ATOM 1754 CD2 TYR A 113 35.399 -26.436 -14.955 1.00 0.00 C ATOM 1755 CE1 TYR A 113 33.697 -28.614 -15.405 1.00 0.00 C ATOM 1756 CE2 TYR A 113 35.579 -27.244 -16.085 1.00 0.00 C ATOM 1757 CZ TYR A 113 34.729 -28.333 -16.310 1.00 0.00 C ATOM 1758 OH TYR A 113 34.906 -29.128 -17.423 1.00 0.00 O ATOM 0 H TYR A 113 34.277 -24.742 -10.621 1.00 0.00 H new ATOM 0 HA TYR A 113 34.326 -27.436 -11.387 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.112 -25.699 -12.639 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.606 -24.859 -13.003 1.00 0.00 H new ATOM 0 HD1 TYR A 113 32.722 -28.025 -13.577 1.00 0.00 H new ATOM 0 HD2 TYR A 113 36.056 -25.596 -14.782 1.00 0.00 H new ATOM 0 HE1 TYR A 113 33.040 -29.453 -15.579 1.00 0.00 H new ATOM 0 HE2 TYR A 113 36.374 -27.027 -16.783 1.00 0.00 H new ATOM 0 HH TYR A 113 35.665 -28.794 -17.946 1.00 0.00 H new ATOM 1768 N PHE A 114 37.127 -25.791 -11.866 1.00 0.00 N ATOM 1769 CA PHE A 114 38.549 -25.949 -12.149 1.00 0.00 C ATOM 1770 C PHE A 114 39.182 -26.947 -11.190 1.00 0.00 C ATOM 1771 O PHE A 114 39.967 -27.805 -11.595 1.00 0.00 O ATOM 1772 CB PHE A 114 39.264 -24.600 -12.039 1.00 0.00 C ATOM 1773 CG PHE A 114 40.732 -24.780 -12.363 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.141 -24.937 -13.693 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.682 -24.790 -11.333 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.499 -25.104 -13.994 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.039 -24.957 -11.634 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.448 -25.114 -12.965 1.00 0.00 C ATOM 0 H PHE A 114 36.847 -24.841 -11.621 1.00 0.00 H new ATOM 0 HA PHE A 114 38.653 -26.328 -13.166 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.815 -23.881 -12.724 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.149 -24.196 -11.033 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.409 -24.929 -14.487 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.367 -24.669 -10.307 1.00 0.00 H new ATOM 0 HE1 PHE A 114 42.814 -25.225 -15.020 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.771 -24.965 -10.840 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.495 -25.243 -13.197 1.00 0.00 H new ATOM 1788 N SER A 115 38.835 -26.823 -9.916 1.00 0.00 N ATOM 1789 CA SER A 115 39.369 -27.707 -8.889 1.00 0.00 C ATOM 1790 C SER A 115 38.545 -28.984 -8.797 1.00 0.00 C ATOM 1791 O SER A 115 38.905 -29.916 -8.078 1.00 0.00 O ATOM 1792 CB SER A 115 39.373 -27.002 -7.532 1.00 0.00 C ATOM 1793 OG SER A 115 40.225 -25.866 -7.594 1.00 0.00 O ATOM 0 H SER A 115 38.185 -26.118 -9.569 1.00 0.00 H new ATOM 0 HA SER A 115 40.392 -27.966 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 115 38.361 -26.698 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.716 -27.686 -6.755 1.00 0.00 H new ATOM 0 HG SER A 115 40.228 -25.411 -6.726 1.00 0.00 H new ATOM 1799 N THR A 116 37.432 -29.020 -9.530 1.00 0.00 N ATOM 1800 CA THR A 116 36.556 -30.181 -9.529 1.00 0.00 C ATOM 1801 C THR A 116 35.915 -30.370 -10.900 1.00 0.00 C ATOM 1802 O THR A 116 36.594 -30.865 -11.786 1.00 0.00 O ATOM 1803 CB THR A 116 35.466 -30.005 -8.473 1.00 0.00 C ATOM 1804 OG1 THR A 116 36.063 -29.705 -7.219 1.00 0.00 O ATOM 1805 CG2 THR A 116 34.664 -31.293 -8.360 1.00 0.00 C ATOM 1806 OXT THR A 116 34.755 -30.019 -11.046 1.00 0.00 O ATOM 0 H THR A 116 37.120 -28.257 -10.130 1.00 0.00 H new ATOM 0 HA THR A 116 37.151 -31.064 -9.296 1.00 0.00 H new ATOM 0 HB THR A 116 34.806 -29.188 -8.762 1.00 0.00 H new ATOM 0 HG1 THR A 116 35.363 -29.591 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 116 33.885 -31.172 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 116 34.206 -31.522 -9.322 1.00 0.00 H new ATOM 0 HG23 THR A 116 35.325 -32.109 -8.069 1.00 0.00 H new