USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=6 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= 0 X(o=0,f=-0.18) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.043) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -23:sc= 0.13 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -44:sc= 0.745 USER MOD Single : A 116 THR OG1 : rot 119:sc= -0.764 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 43.961 65.900 12.331 1.00 0.00 N ATOM 506 CA GLN A 38 43.350 66.058 11.016 1.00 0.00 C ATOM 507 C GLN A 38 43.940 65.055 10.029 1.00 0.00 C ATOM 508 O GLN A 38 43.341 64.758 8.996 1.00 0.00 O ATOM 509 CB GLN A 38 43.579 67.480 10.501 1.00 0.00 C ATOM 510 CG GLN A 38 42.860 67.663 9.162 1.00 0.00 C ATOM 511 CD GLN A 38 42.962 69.114 8.709 1.00 0.00 C ATOM 512 OE1 GLN A 38 44.036 69.713 8.771 1.00 0.00 O ATOM 513 NE2 GLN A 38 41.900 69.720 8.253 1.00 0.00 N ATOM 0 HA GLN A 38 42.280 65.874 11.108 1.00 0.00 H new ATOM 0 HB2 GLN A 38 43.208 68.204 11.226 1.00 0.00 H new ATOM 0 HB3 GLN A 38 44.646 67.667 10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 38 43.300 67.007 8.411 1.00 0.00 H new ATOM 0 HG3 GLN A 38 41.813 67.377 9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 38 41.011 69.222 8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 38 41.959 70.691 7.947 1.00 0.00 H new ATOM 522 N VAL A 39 45.120 64.537 10.353 1.00 0.00 N ATOM 523 CA VAL A 39 45.784 63.573 9.484 1.00 0.00 C ATOM 524 C VAL A 39 44.904 62.342 9.285 1.00 0.00 C ATOM 525 O VAL A 39 44.945 61.700 8.235 1.00 0.00 O ATOM 526 CB VAL A 39 47.121 63.151 10.098 1.00 0.00 C ATOM 527 CG1 VAL A 39 46.869 62.348 11.379 1.00 0.00 C ATOM 528 CG2 VAL A 39 47.892 62.288 9.096 1.00 0.00 C ATOM 0 H VAL A 39 45.633 64.766 11.204 1.00 0.00 H new ATOM 0 HA VAL A 39 45.961 64.043 8.517 1.00 0.00 H new ATOM 0 HB VAL A 39 47.705 64.039 10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 39 47.822 62.049 11.814 1.00 0.00 H new ATOM 0 HG12 VAL A 39 46.322 62.964 12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 39 46.283 61.460 11.142 1.00 0.00 H new ATOM 0 HG21 VAL A 39 48.844 61.987 9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 39 47.307 61.401 8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 39 48.074 62.861 8.187 1.00 0.00 H new ATOM 538 N ASP A 40 44.107 62.020 10.298 1.00 0.00 N ATOM 539 CA ASP A 40 43.217 60.867 10.224 1.00 0.00 C ATOM 540 C ASP A 40 42.170 61.068 9.133 1.00 0.00 C ATOM 541 O ASP A 40 41.828 60.133 8.411 1.00 0.00 O ATOM 542 CB ASP A 40 42.523 60.652 11.570 1.00 0.00 C ATOM 543 CG ASP A 40 41.608 59.434 11.498 1.00 0.00 C ATOM 544 OD1 ASP A 40 41.455 58.896 10.415 1.00 0.00 O ATOM 545 OD2 ASP A 40 41.074 59.059 12.529 1.00 0.00 O ATOM 0 H ASP A 40 44.059 62.538 11.175 1.00 0.00 H new ATOM 0 HA ASP A 40 43.813 59.987 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 40 43.267 60.512 12.354 1.00 0.00 H new ATOM 0 HB3 ASP A 40 41.944 61.537 11.835 1.00 0.00 H new ATOM 550 N GLU A 41 41.664 62.292 9.024 1.00 0.00 N ATOM 551 CA GLU A 41 40.652 62.605 8.021 1.00 0.00 C ATOM 552 C GLU A 41 41.238 62.499 6.617 1.00 0.00 C ATOM 553 O GLU A 41 40.560 62.077 5.679 1.00 0.00 O ATOM 554 CB GLU A 41 40.110 64.018 8.246 1.00 0.00 C ATOM 555 CG GLU A 41 38.969 64.291 7.264 1.00 0.00 C ATOM 556 CD GLU A 41 38.375 65.670 7.525 1.00 0.00 C ATOM 557 OE1 GLU A 41 38.652 66.224 8.575 1.00 0.00 O ATOM 558 OE2 GLU A 41 37.653 66.154 6.668 1.00 0.00 O ATOM 0 H GLU A 41 41.936 63.079 9.613 1.00 0.00 H new ATOM 0 HA GLU A 41 39.838 61.886 8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 41 39.754 64.123 9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 41 40.906 64.750 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 41 39.338 64.233 6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 41 38.198 63.528 7.369 1.00 0.00 H new ATOM 565 N VAL A 42 42.501 62.888 6.479 1.00 0.00 N ATOM 566 CA VAL A 42 43.170 62.834 5.185 1.00 0.00 C ATOM 567 C VAL A 42 43.055 61.438 4.582 1.00 0.00 C ATOM 568 O VAL A 42 43.288 61.246 3.388 1.00 0.00 O ATOM 569 CB VAL A 42 44.646 63.207 5.341 1.00 0.00 C ATOM 570 CG1 VAL A 42 45.346 63.107 3.984 1.00 0.00 C ATOM 571 CG2 VAL A 42 44.756 64.639 5.869 1.00 0.00 C ATOM 0 H VAL A 42 43.078 63.242 7.242 1.00 0.00 H new ATOM 0 HA VAL A 42 42.687 63.547 4.517 1.00 0.00 H new ATOM 0 HB VAL A 42 45.121 62.523 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 42 46.397 63.373 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 42 45.268 62.087 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 42 44.872 63.790 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 42 45.807 64.906 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 42 44.280 65.323 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 42 44.259 64.709 6.837 1.00 0.00 H new ATOM 581 N VAL A 43 42.697 60.466 5.413 1.00 0.00 N ATOM 582 CA VAL A 43 42.562 59.089 4.946 1.00 0.00 C ATOM 583 C VAL A 43 41.509 58.996 3.850 1.00 0.00 C ATOM 584 O VAL A 43 41.725 58.366 2.815 1.00 0.00 O ATOM 585 CB VAL A 43 42.160 58.187 6.116 1.00 0.00 C ATOM 586 CG1 VAL A 43 40.710 58.463 6.529 1.00 0.00 C ATOM 587 CG2 VAL A 43 42.306 56.719 5.703 1.00 0.00 C ATOM 0 H VAL A 43 42.497 60.602 6.404 1.00 0.00 H new ATOM 0 HA VAL A 43 43.520 58.763 4.541 1.00 0.00 H new ATOM 0 HB VAL A 43 42.812 58.397 6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 43 40.439 57.814 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 43 40.610 59.505 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 43 40.048 58.267 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 43 42.020 56.077 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 43 41.660 56.515 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.342 56.519 5.430 1.00 0.00 H new ATOM 597 N ASP A 44 40.370 59.627 4.090 1.00 0.00 N ATOM 598 CA ASP A 44 39.279 59.610 3.119 1.00 0.00 C ATOM 599 C ASP A 44 39.711 60.277 1.818 1.00 0.00 C ATOM 600 O ASP A 44 39.419 59.784 0.729 1.00 0.00 O ATOM 601 CB ASP A 44 38.054 60.338 3.683 1.00 0.00 C ATOM 602 CG ASP A 44 36.916 60.311 2.669 1.00 0.00 C ATOM 603 OD1 ASP A 44 37.142 59.846 1.563 1.00 0.00 O ATOM 604 OD2 ASP A 44 35.831 60.755 3.013 1.00 0.00 O ATOM 0 H ASP A 44 40.174 60.154 4.941 1.00 0.00 H new ATOM 0 HA ASP A 44 39.019 58.571 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 44 37.735 59.864 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 44 38.313 61.369 3.924 1.00 0.00 H new ATOM 609 N ILE A 45 40.409 61.400 1.940 1.00 0.00 N ATOM 610 CA ILE A 45 40.877 62.131 0.767 1.00 0.00 C ATOM 611 C ILE A 45 41.868 61.288 -0.026 1.00 0.00 C ATOM 612 O ILE A 45 41.802 61.224 -1.253 1.00 0.00 O ATOM 613 CB ILE A 45 41.545 63.439 1.198 1.00 0.00 C ATOM 614 CG1 ILE A 45 40.601 64.213 2.128 1.00 0.00 C ATOM 615 CG2 ILE A 45 41.856 64.290 -0.035 1.00 0.00 C ATOM 616 CD1 ILE A 45 39.233 64.418 1.460 1.00 0.00 C ATOM 0 H ILE A 45 40.663 61.823 2.833 1.00 0.00 H new ATOM 0 HA ILE A 45 40.018 62.355 0.134 1.00 0.00 H new ATOM 0 HB ILE A 45 42.473 63.214 1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 45 40.477 63.669 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 45 41.039 65.180 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 45 42.331 65.220 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 45 42.528 63.742 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 45 40.930 64.515 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 45 38.577 64.969 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 45 39.360 64.983 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 45 38.789 63.448 1.234 1.00 0.00 H new ATOM 628 N MET A 46 42.783 60.640 0.685 1.00 0.00 N ATOM 629 CA MET A 46 43.781 59.802 0.035 1.00 0.00 C ATOM 630 C MET A 46 43.111 58.655 -0.713 1.00 0.00 C ATOM 631 O MET A 46 43.524 58.295 -1.816 1.00 0.00 O ATOM 632 CB MET A 46 44.751 59.241 1.077 1.00 0.00 C ATOM 633 CG MET A 46 45.835 58.417 0.379 1.00 0.00 C ATOM 634 SD MET A 46 47.044 57.851 1.601 1.00 0.00 S ATOM 635 CE MET A 46 48.211 59.222 1.419 1.00 0.00 C ATOM 0 H MET A 46 42.854 60.678 1.702 1.00 0.00 H new ATOM 0 HA MET A 46 44.332 60.413 -0.680 1.00 0.00 H new ATOM 0 HB2 MET A 46 45.206 60.056 1.641 1.00 0.00 H new ATOM 0 HB3 MET A 46 44.212 58.620 1.793 1.00 0.00 H new ATOM 0 HG2 MET A 46 45.387 57.562 -0.128 1.00 0.00 H new ATOM 0 HG3 MET A 46 46.328 59.018 -0.385 1.00 0.00 H new ATOM 0 HE1 MET A 46 49.053 59.075 2.095 1.00 0.00 H new ATOM 0 HE2 MET A 46 48.572 59.258 0.391 1.00 0.00 H new ATOM 0 HE3 MET A 46 47.711 60.160 1.661 1.00 0.00 H new ATOM 645 N ARG A 47 42.080 58.080 -0.106 1.00 0.00 N ATOM 646 CA ARG A 47 41.364 56.970 -0.723 1.00 0.00 C ATOM 647 C ARG A 47 40.779 57.398 -2.066 1.00 0.00 C ATOM 648 O ARG A 47 40.841 56.653 -3.044 1.00 0.00 O ATOM 649 CB ARG A 47 40.242 56.494 0.202 1.00 0.00 C ATOM 650 CG ARG A 47 39.557 55.269 -0.411 1.00 0.00 C ATOM 651 CD ARG A 47 38.463 54.769 0.534 1.00 0.00 C ATOM 652 NE ARG A 47 37.915 53.511 0.045 1.00 0.00 N ATOM 653 CZ ARG A 47 36.921 52.900 0.682 1.00 0.00 C ATOM 654 NH1 ARG A 47 36.421 53.426 1.766 1.00 0.00 N ATOM 655 NH2 ARG A 47 36.446 51.773 0.224 1.00 0.00 N ATOM 0 H ARG A 47 41.723 58.361 0.807 1.00 0.00 H new ATOM 0 HA ARG A 47 42.065 56.152 -0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 47 40.647 56.244 1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 47 39.516 57.293 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 47 39.127 55.526 -1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 47 40.288 54.480 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 47 38.871 54.632 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 47 37.671 55.514 0.612 1.00 0.00 H new ATOM 0 HE ARG A 47 38.301 53.092 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 47 36.793 54.306 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 47 35.658 52.958 2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 47 36.838 51.361 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 47 35.683 51.305 0.713 1.00 0.00 H new ATOM 669 N VAL A 48 40.208 58.595 -2.104 1.00 0.00 N ATOM 670 CA VAL A 48 39.614 59.107 -3.329 1.00 0.00 C ATOM 671 C VAL A 48 40.673 59.259 -4.415 1.00 0.00 C ATOM 672 O VAL A 48 40.447 58.897 -5.570 1.00 0.00 O ATOM 673 CB VAL A 48 38.950 60.463 -3.062 1.00 0.00 C ATOM 674 CG1 VAL A 48 38.451 61.061 -4.379 1.00 0.00 C ATOM 675 CG2 VAL A 48 37.767 60.276 -2.110 1.00 0.00 C ATOM 0 H VAL A 48 40.144 59.225 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 48 38.861 58.397 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 48 39.679 61.136 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 48 37.980 62.025 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.292 61.198 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 48 37.725 60.387 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 48 37.296 61.241 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 48 37.041 59.600 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 48 38.120 59.854 -1.169 1.00 0.00 H new ATOM 685 N ASN A 49 41.828 59.796 -4.041 1.00 0.00 N ATOM 686 CA ASN A 49 42.911 59.992 -4.996 1.00 0.00 C ATOM 687 C ASN A 49 43.351 58.652 -5.574 1.00 0.00 C ATOM 688 O ASN A 49 43.608 58.539 -6.772 1.00 0.00 O ATOM 689 CB ASN A 49 44.097 60.668 -4.305 1.00 0.00 C ATOM 690 CG ASN A 49 43.754 62.118 -3.979 1.00 0.00 C ATOM 691 OD1 ASN A 49 44.152 62.630 -2.931 1.00 0.00 O ATOM 692 ND2 ASN A 49 43.042 62.817 -4.821 1.00 0.00 N ATOM 0 H ASN A 49 42.038 60.101 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 49 42.554 60.628 -5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 49 44.350 60.131 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 49 44.975 60.630 -4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 49 42.814 63.789 -4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 49 42.714 62.391 -5.688 1.00 0.00 H new ATOM 699 N VAL A 50 43.429 57.644 -4.720 1.00 0.00 N ATOM 700 CA VAL A 50 43.827 56.310 -5.155 1.00 0.00 C ATOM 701 C VAL A 50 42.774 55.702 -6.072 1.00 0.00 C ATOM 702 O VAL A 50 43.095 55.016 -7.041 1.00 0.00 O ATOM 703 CB VAL A 50 44.060 55.401 -3.945 1.00 0.00 C ATOM 704 CG1 VAL A 50 44.332 53.971 -4.421 1.00 0.00 C ATOM 705 CG2 VAL A 50 45.265 55.910 -3.152 1.00 0.00 C ATOM 0 H VAL A 50 43.223 57.721 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 50 44.759 56.400 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 50 43.174 55.409 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 50 44.498 53.326 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 50 43.475 53.607 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 50 45.217 53.961 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 50 45.432 55.264 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 50 46.150 55.902 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 50 45.073 56.927 -2.811 1.00 0.00 H new ATOM 715 N ASP A 51 41.518 55.949 -5.743 1.00 0.00 N ATOM 716 CA ASP A 51 40.410 55.412 -6.526 1.00 0.00 C ATOM 717 C ASP A 51 40.570 55.766 -8.003 1.00 0.00 C ATOM 718 O ASP A 51 39.947 55.153 -8.869 1.00 0.00 O ATOM 719 CB ASP A 51 39.080 55.967 -6.010 1.00 0.00 C ATOM 720 CG ASP A 51 37.920 55.135 -6.550 1.00 0.00 C ATOM 721 OD1 ASP A 51 38.124 54.434 -7.528 1.00 0.00 O ATOM 722 OD2 ASP A 51 36.845 55.208 -5.976 1.00 0.00 O ATOM 0 H ASP A 51 41.237 56.515 -4.943 1.00 0.00 H new ATOM 0 HA ASP A 51 40.415 54.327 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 51 39.070 55.955 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 51 38.967 57.006 -6.318 1.00 0.00 H new ATOM 727 N LYS A 52 41.411 56.755 -8.279 1.00 0.00 N ATOM 728 CA LYS A 52 41.652 57.183 -9.651 1.00 0.00 C ATOM 729 C LYS A 52 42.343 56.080 -10.438 1.00 0.00 C ATOM 730 O LYS A 52 42.049 55.865 -11.612 1.00 0.00 O ATOM 731 CB LYS A 52 42.516 58.446 -9.663 1.00 0.00 C ATOM 732 CG LYS A 52 41.720 59.614 -9.074 1.00 0.00 C ATOM 733 CD LYS A 52 42.585 60.876 -9.078 1.00 0.00 C ATOM 734 CE LYS A 52 41.782 62.049 -8.516 1.00 0.00 C ATOM 735 NZ LYS A 52 42.630 63.276 -8.515 1.00 0.00 N ATOM 0 H LYS A 52 41.935 57.274 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 52 40.692 57.401 -10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 52 43.425 58.283 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 52 42.824 58.679 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 52 40.813 59.780 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 52 41.407 59.378 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 52 43.482 60.716 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 52 42.914 61.100 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 52 40.887 62.213 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 52 41.449 61.823 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 42.084 64.075 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 43.471 63.116 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 42.927 63.494 -9.488 1.00 0.00 H new ATOM 1144 N THR A 79 17.384 20.747 -12.610 1.00 0.00 N ATOM 1145 CA THR A 79 16.346 19.772 -12.299 1.00 0.00 C ATOM 1146 C THR A 79 15.442 19.548 -13.506 1.00 0.00 C ATOM 1147 O THR A 79 14.953 18.441 -13.734 1.00 0.00 O ATOM 1148 CB THR A 79 15.508 20.261 -11.116 1.00 0.00 C ATOM 1149 OG1 THR A 79 14.962 21.537 -11.422 1.00 0.00 O ATOM 1150 CG2 THR A 79 16.388 20.367 -9.870 1.00 0.00 C ATOM 0 HA THR A 79 16.826 18.829 -12.039 1.00 0.00 H new ATOM 0 HB THR A 79 14.701 19.554 -10.926 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.507 21.969 -12.112 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.788 20.716 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 79 16.807 19.388 -9.636 1.00 0.00 H new ATOM 0 HG23 THR A 79 17.198 21.073 -10.055 1.00 0.00 H new ATOM 1158 N SER A 80 15.220 20.606 -14.279 1.00 0.00 N ATOM 1159 CA SER A 80 14.372 20.511 -15.460 1.00 0.00 C ATOM 1160 C SER A 80 14.947 19.505 -16.455 1.00 0.00 C ATOM 1161 O SER A 80 14.214 18.710 -17.041 1.00 0.00 O ATOM 1162 CB SER A 80 14.253 21.879 -16.128 1.00 0.00 C ATOM 1163 OG SER A 80 13.712 22.810 -15.200 1.00 0.00 O ATOM 0 H SER A 80 15.613 21.532 -14.110 1.00 0.00 H new ATOM 0 HA SER A 80 13.384 20.172 -15.148 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.232 22.216 -16.470 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.614 21.812 -17.008 1.00 0.00 H new ATOM 0 HG SER A 80 13.636 23.690 -15.626 1.00 0.00 H new ATOM 1169 N ALA A 81 16.263 19.550 -16.641 1.00 0.00 N ATOM 1170 CA ALA A 81 16.926 18.639 -17.569 1.00 0.00 C ATOM 1171 C ALA A 81 17.158 17.279 -16.917 1.00 0.00 C ATOM 1172 O ALA A 81 17.400 16.285 -17.603 1.00 0.00 O ATOM 1173 CB ALA A 81 18.265 19.229 -18.010 1.00 0.00 C ATOM 0 H ALA A 81 16.887 20.202 -16.166 1.00 0.00 H new ATOM 0 HA ALA A 81 16.282 18.506 -18.438 1.00 0.00 H new ATOM 0 HB1 ALA A 81 18.754 18.544 -18.702 1.00 0.00 H new ATOM 0 HB2 ALA A 81 18.096 20.185 -18.505 1.00 0.00 H new ATOM 0 HB3 ALA A 81 18.901 19.379 -17.138 1.00 0.00 H new ATOM 1179 N ALA A 82 17.082 17.242 -15.592 1.00 0.00 N ATOM 1180 CA ALA A 82 17.287 15.997 -14.861 1.00 0.00 C ATOM 1181 C ALA A 82 16.227 14.970 -15.245 1.00 0.00 C ATOM 1182 O ALA A 82 16.466 13.764 -15.182 1.00 0.00 O ATOM 1183 CB ALA A 82 17.231 16.259 -13.354 1.00 0.00 C ATOM 0 H ALA A 82 16.882 18.052 -15.006 1.00 0.00 H new ATOM 0 HA ALA A 82 18.269 15.601 -15.122 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.385 15.324 -12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.011 16.969 -13.079 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.257 16.672 -13.092 1.00 0.00 H new ATOM 1189 N LYS A 83 15.055 15.454 -15.637 1.00 0.00 N ATOM 1190 CA LYS A 83 13.965 14.572 -16.025 1.00 0.00 C ATOM 1191 C LYS A 83 14.332 13.778 -17.271 1.00 0.00 C ATOM 1192 O LYS A 83 14.080 12.576 -17.350 1.00 0.00 O ATOM 1193 CB LYS A 83 12.705 15.396 -16.295 1.00 0.00 C ATOM 1194 CG LYS A 83 12.327 16.201 -15.046 1.00 0.00 C ATOM 1195 CD LYS A 83 11.905 15.256 -13.912 1.00 0.00 C ATOM 1196 CE LYS A 83 11.132 16.040 -12.854 1.00 0.00 C ATOM 1197 NZ LYS A 83 10.712 15.111 -11.770 1.00 0.00 N ATOM 0 H LYS A 83 14.837 16.449 -15.694 1.00 0.00 H new ATOM 0 HA LYS A 83 13.778 13.874 -15.209 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.874 16.070 -17.135 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.883 14.737 -16.576 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.174 16.809 -14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.513 16.887 -15.279 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.286 14.451 -14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.784 14.792 -13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.755 16.836 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.259 16.515 -13.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.185 15.639 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.104 14.366 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.553 14.678 -11.339 1.00 0.00 H new ATOM 1211 N LEU A 84 14.930 14.456 -18.242 1.00 0.00 N ATOM 1212 CA LEU A 84 15.327 13.804 -19.483 1.00 0.00 C ATOM 1213 C LEU A 84 16.380 12.735 -19.207 1.00 0.00 C ATOM 1214 O LEU A 84 16.345 11.650 -19.787 1.00 0.00 O ATOM 1215 CB LEU A 84 15.885 14.846 -20.464 1.00 0.00 C ATOM 1216 CG LEU A 84 14.730 15.572 -21.157 1.00 0.00 C ATOM 1217 CD1 LEU A 84 13.841 16.240 -20.105 1.00 0.00 C ATOM 1218 CD2 LEU A 84 15.293 16.635 -22.101 1.00 0.00 C ATOM 0 H LEU A 84 15.150 15.451 -18.195 1.00 0.00 H new ATOM 0 HA LEU A 84 14.452 13.327 -19.925 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.511 15.563 -19.932 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.518 14.359 -21.205 1.00 0.00 H new ATOM 0 HG LEU A 84 14.139 14.855 -21.727 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.018 16.757 -20.599 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.441 15.482 -19.432 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.430 16.958 -19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.472 17.154 -22.596 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.884 17.352 -21.531 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.925 16.158 -22.850 1.00 0.00 H new ATOM 1230 N LYS A 85 17.319 13.051 -18.324 1.00 0.00 N ATOM 1231 CA LYS A 85 18.382 12.112 -17.986 1.00 0.00 C ATOM 1232 C LYS A 85 17.802 10.863 -17.341 1.00 0.00 C ATOM 1233 O LYS A 85 18.218 9.745 -17.645 1.00 0.00 O ATOM 1234 CB LYS A 85 19.367 12.778 -17.023 1.00 0.00 C ATOM 1235 CG LYS A 85 19.944 14.049 -17.658 1.00 0.00 C ATOM 1236 CD LYS A 85 20.808 13.693 -18.874 1.00 0.00 C ATOM 1237 CE LYS A 85 21.705 14.875 -19.230 1.00 0.00 C ATOM 1238 NZ LYS A 85 22.540 14.518 -20.410 1.00 0.00 N ATOM 0 H LYS A 85 17.367 13.943 -17.832 1.00 0.00 H new ATOM 0 HA LYS A 85 18.901 11.825 -18.900 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.864 13.025 -16.088 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.173 12.086 -16.778 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.134 14.712 -17.961 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.542 14.591 -16.925 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.416 12.815 -18.656 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.172 13.438 -19.722 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.099 15.753 -19.451 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.342 15.132 -18.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.153 15.321 -20.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.127 13.691 -20.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.923 14.293 -21.217 1.00 0.00 H new ATOM 1252 N ARG A 86 16.834 11.055 -16.456 1.00 0.00 N ATOM 1253 CA ARG A 86 16.204 9.934 -15.773 1.00 0.00 C ATOM 1254 C ARG A 86 15.570 8.982 -16.779 1.00 0.00 C ATOM 1255 O ARG A 86 15.572 7.767 -16.590 1.00 0.00 O ATOM 1256 CB ARG A 86 15.141 10.442 -14.798 1.00 0.00 C ATOM 1257 CG ARG A 86 14.559 9.265 -14.012 1.00 0.00 C ATOM 1258 CD ARG A 86 13.554 9.786 -12.984 1.00 0.00 C ATOM 1259 NE ARG A 86 12.410 10.391 -13.658 1.00 0.00 N ATOM 1260 CZ ARG A 86 11.451 11.001 -12.970 1.00 0.00 C ATOM 1261 NH1 ARG A 86 11.524 11.067 -11.668 1.00 0.00 N ATOM 1262 NH2 ARG A 86 10.438 11.536 -13.596 1.00 0.00 N ATOM 0 H ARG A 86 16.469 11.971 -16.195 1.00 0.00 H new ATOM 0 HA ARG A 86 16.971 9.395 -15.217 1.00 0.00 H new ATOM 0 HB2 ARG A 86 15.579 11.168 -14.113 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.349 10.955 -15.343 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.071 8.566 -14.691 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.358 8.718 -13.511 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.219 8.968 -12.346 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.033 10.520 -12.336 1.00 0.00 H new ATOM 0 HE ARG A 86 12.345 10.345 -14.675 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.317 10.650 -11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.788 11.535 -11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.383 11.486 -14.613 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.702 12.004 -13.068 1.00 0.00 H new ATOM 1403 N LEU A 93 20.322 1.263 -11.796 1.00 0.00 N ATOM 1404 CA LEU A 93 21.297 0.995 -10.749 1.00 0.00 C ATOM 1405 C LEU A 93 20.951 -0.299 -10.017 1.00 0.00 C ATOM 1406 O LEU A 93 21.826 -1.115 -9.734 1.00 0.00 O ATOM 1407 CB LEU A 93 21.330 2.157 -9.749 1.00 0.00 C ATOM 1408 CG LEU A 93 22.381 1.886 -8.658 1.00 0.00 C ATOM 1409 CD1 LEU A 93 23.777 1.748 -9.292 1.00 0.00 C ATOM 1410 CD2 LEU A 93 22.379 3.047 -7.657 1.00 0.00 C ATOM 0 HA LEU A 93 22.278 0.889 -11.212 1.00 0.00 H new ATOM 0 HB2 LEU A 93 21.564 3.087 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 93 20.347 2.284 -9.295 1.00 0.00 H new ATOM 0 HG LEU A 93 22.136 0.957 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 93 24.514 1.556 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.775 0.919 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 93 24.033 2.670 -9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.122 2.860 -6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 93 22.621 3.975 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 93 21.393 3.133 -7.201 1.00 0.00 H new ATOM 1422 N LYS A 94 19.672 -0.471 -9.707 1.00 0.00 N ATOM 1423 CA LYS A 94 19.223 -1.663 -9.000 1.00 0.00 C ATOM 1424 C LYS A 94 19.472 -2.908 -9.841 1.00 0.00 C ATOM 1425 O LYS A 94 19.861 -3.954 -9.321 1.00 0.00 O ATOM 1426 CB LYS A 94 17.733 -1.549 -8.677 1.00 0.00 C ATOM 1427 CG LYS A 94 17.299 -2.745 -7.828 1.00 0.00 C ATOM 1428 CD LYS A 94 15.824 -2.595 -7.450 1.00 0.00 C ATOM 1429 CE LYS A 94 15.398 -3.776 -6.576 1.00 0.00 C ATOM 1430 NZ LYS A 94 13.965 -3.621 -6.195 1.00 0.00 N ATOM 0 H LYS A 94 18.932 0.194 -9.932 1.00 0.00 H new ATOM 0 HA LYS A 94 19.788 -1.748 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.537 -0.620 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.152 -1.515 -9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.451 -3.672 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.911 -2.807 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.668 -1.658 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.210 -2.554 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.543 -4.712 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.020 -3.824 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.675 -4.424 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.841 -2.735 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.378 -3.596 -7.053 1.00 0.00 H new ATOM 1444 N MET A 95 19.239 -2.790 -11.143 1.00 0.00 N ATOM 1445 CA MET A 95 19.436 -3.915 -12.045 1.00 0.00 C ATOM 1446 C MET A 95 20.898 -4.345 -12.051 1.00 0.00 C ATOM 1447 O MET A 95 21.203 -5.538 -12.087 1.00 0.00 O ATOM 1448 CB MET A 95 19.011 -3.528 -13.466 1.00 0.00 C ATOM 1449 CG MET A 95 19.102 -4.747 -14.392 1.00 0.00 C ATOM 1450 SD MET A 95 17.871 -5.976 -13.885 1.00 0.00 S ATOM 1451 CE MET A 95 16.636 -5.610 -15.156 1.00 0.00 C ATOM 0 H MET A 95 18.916 -1.934 -11.593 1.00 0.00 H new ATOM 0 HA MET A 95 18.824 -4.747 -11.697 1.00 0.00 H new ATOM 0 HB2 MET A 95 17.991 -3.143 -13.457 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.650 -2.728 -13.840 1.00 0.00 H new ATOM 0 HG2 MET A 95 18.929 -4.447 -15.426 1.00 0.00 H new ATOM 0 HG3 MET A 95 20.102 -5.178 -14.348 1.00 0.00 H new ATOM 0 HE1 MET A 95 15.776 -6.267 -15.027 1.00 0.00 H new ATOM 0 HE2 MET A 95 16.317 -4.572 -15.065 1.00 0.00 H new ATOM 0 HE3 MET A 95 17.071 -5.771 -16.143 1.00 0.00 H new ATOM 1461 N MET A 96 21.801 -3.370 -12.024 1.00 0.00 N ATOM 1462 CA MET A 96 23.226 -3.669 -12.036 1.00 0.00 C ATOM 1463 C MET A 96 23.607 -4.511 -10.824 1.00 0.00 C ATOM 1464 O MET A 96 24.352 -5.484 -10.940 1.00 0.00 O ATOM 1465 CB MET A 96 24.031 -2.365 -12.028 1.00 0.00 C ATOM 1466 CG MET A 96 25.529 -2.681 -12.097 1.00 0.00 C ATOM 1467 SD MET A 96 26.472 -1.140 -12.168 1.00 0.00 S ATOM 1468 CE MET A 96 26.632 -0.888 -10.383 1.00 0.00 C ATOM 0 H MET A 96 21.573 -2.376 -11.994 1.00 0.00 H new ATOM 0 HA MET A 96 23.454 -4.233 -12.941 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.742 -1.743 -12.875 1.00 0.00 H new ATOM 0 HB3 MET A 96 23.811 -1.796 -11.125 1.00 0.00 H new ATOM 0 HG2 MET A 96 25.829 -3.263 -11.225 1.00 0.00 H new ATOM 0 HG3 MET A 96 25.742 -3.290 -12.975 1.00 0.00 H new ATOM 0 HE1 MET A 96 27.193 0.027 -10.194 1.00 0.00 H new ATOM 0 HE2 MET A 96 25.641 -0.805 -9.937 1.00 0.00 H new ATOM 0 HE3 MET A 96 27.159 -1.734 -9.942 1.00 0.00 H new ATOM 1478 N ILE A 97 23.088 -4.134 -9.662 1.00 0.00 N ATOM 1479 CA ILE A 97 23.381 -4.864 -8.436 1.00 0.00 C ATOM 1480 C ILE A 97 22.814 -6.279 -8.509 1.00 0.00 C ATOM 1481 O ILE A 97 23.487 -7.248 -8.157 1.00 0.00 O ATOM 1482 CB ILE A 97 22.778 -4.132 -7.235 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.298 -2.691 -7.207 1.00 0.00 C ATOM 1484 CG2 ILE A 97 23.186 -4.843 -5.945 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.503 -1.882 -6.180 1.00 0.00 C ATOM 0 H ILE A 97 22.467 -3.334 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 97 24.463 -4.923 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 97 21.691 -4.129 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.358 -2.680 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.203 -2.239 -8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.756 -4.321 -5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.821 -5.870 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.273 -4.846 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.872 -0.857 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.448 -1.882 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.621 -2.330 -5.193 1.00 0.00 H new ATOM 1497 N ILE A 98 21.573 -6.389 -8.968 1.00 0.00 N ATOM 1498 CA ILE A 98 20.926 -7.689 -9.075 1.00 0.00 C ATOM 1499 C ILE A 98 21.656 -8.565 -10.084 1.00 0.00 C ATOM 1500 O ILE A 98 21.882 -9.750 -9.846 1.00 0.00 O ATOM 1501 CB ILE A 98 19.462 -7.510 -9.506 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.665 -6.825 -8.373 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.840 -8.883 -9.828 1.00 0.00 C ATOM 1504 CD1 ILE A 98 18.172 -7.864 -7.353 1.00 0.00 C ATOM 0 H ILE A 98 21.000 -5.601 -9.269 1.00 0.00 H new ATOM 0 HA ILE A 98 20.958 -8.175 -8.100 1.00 0.00 H new ATOM 0 HB ILE A 98 19.425 -6.885 -10.398 1.00 0.00 H new ATOM 0 HG12 ILE A 98 19.293 -6.087 -7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 98 17.815 -6.288 -8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.802 -8.750 -10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.398 -9.355 -10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.879 -9.517 -8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 98 17.613 -7.362 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.526 -8.586 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 98 19.027 -8.382 -6.919 1.00 0.00 H new ATOM 1516 N LEU A 99 22.018 -7.976 -11.210 1.00 0.00 N ATOM 1517 CA LEU A 99 22.709 -8.718 -12.248 1.00 0.00 C ATOM 1518 C LEU A 99 24.039 -9.246 -11.725 1.00 0.00 C ATOM 1519 O LEU A 99 24.449 -10.358 -12.054 1.00 0.00 O ATOM 1520 CB LEU A 99 22.956 -7.818 -13.460 1.00 0.00 C ATOM 1521 CG LEU A 99 23.492 -8.654 -14.636 1.00 0.00 C ATOM 1522 CD1 LEU A 99 22.346 -9.419 -15.316 1.00 0.00 C ATOM 1523 CD2 LEU A 99 24.162 -7.728 -15.657 1.00 0.00 C ATOM 0 H LEU A 99 21.847 -6.994 -11.428 1.00 0.00 H new ATOM 0 HA LEU A 99 22.085 -9.560 -12.546 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.030 -7.321 -13.749 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.671 -7.036 -13.203 1.00 0.00 H new ATOM 0 HG LEU A 99 24.218 -9.372 -14.255 1.00 0.00 H new ATOM 0 HD11 LEU A 99 22.742 -10.005 -16.145 1.00 0.00 H new ATOM 0 HD12 LEU A 99 21.874 -10.085 -14.594 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.608 -8.710 -15.692 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.542 -8.319 -16.490 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.434 -7.006 -16.027 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.988 -7.199 -15.181 1.00 0.00 H new ATOM 1535 N GLY A 100 24.716 -8.436 -10.922 1.00 0.00 N ATOM 1536 CA GLY A 100 26.005 -8.829 -10.373 1.00 0.00 C ATOM 1537 C GLY A 100 25.884 -10.112 -9.559 1.00 0.00 C ATOM 1538 O GLY A 100 26.799 -10.934 -9.542 1.00 0.00 O ATOM 0 H GLY A 100 24.396 -7.510 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.720 -8.974 -11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.395 -8.030 -9.743 1.00 0.00 H new ATOM 1542 N VAL A 101 24.751 -10.278 -8.883 1.00 0.00 N ATOM 1543 CA VAL A 101 24.533 -11.468 -8.070 1.00 0.00 C ATOM 1544 C VAL A 101 24.569 -12.721 -8.937 1.00 0.00 C ATOM 1545 O VAL A 101 25.237 -13.699 -8.603 1.00 0.00 O ATOM 1546 CB VAL A 101 23.178 -11.372 -7.363 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.889 -12.678 -6.621 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.206 -10.213 -6.366 1.00 0.00 C ATOM 0 H VAL A 101 23.979 -9.612 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 101 25.328 -11.532 -7.327 1.00 0.00 H new ATOM 0 HB VAL A 101 22.396 -11.198 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.924 -12.606 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.867 -13.503 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.670 -12.857 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.242 -10.143 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.990 -10.386 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.406 -9.282 -6.896 1.00 0.00 H new ATOM 1558 N ILE A 102 23.851 -12.685 -10.053 1.00 0.00 N ATOM 1559 CA ILE A 102 23.810 -13.831 -10.957 1.00 0.00 C ATOM 1560 C ILE A 102 25.196 -14.101 -11.539 1.00 0.00 C ATOM 1561 O ILE A 102 25.638 -15.248 -11.632 1.00 0.00 O ATOM 1562 CB ILE A 102 22.799 -13.571 -12.091 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.375 -13.814 -11.576 1.00 0.00 C ATOM 1564 CG2 ILE A 102 23.075 -14.514 -13.273 1.00 0.00 C ATOM 1565 CD1 ILE A 102 21.076 -12.857 -10.420 1.00 0.00 C ATOM 0 H ILE A 102 23.294 -11.885 -10.353 1.00 0.00 H new ATOM 0 HA ILE A 102 23.494 -14.709 -10.394 1.00 0.00 H new ATOM 0 HB ILE A 102 22.901 -12.538 -12.423 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.656 -13.663 -12.381 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.269 -14.847 -11.243 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.355 -14.321 -14.068 1.00 0.00 H new ATOM 0 HG22 ILE A 102 24.084 -14.342 -13.648 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.982 -15.549 -12.942 1.00 0.00 H new ATOM 0 HD11 ILE A 102 20.064 -13.032 -10.056 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.787 -13.029 -9.612 1.00 0.00 H new ATOM 0 HD13 ILE A 102 21.164 -11.828 -10.768 1.00 0.00 H new ATOM 1577 N CYS A 103 25.864 -13.036 -11.941 1.00 0.00 N ATOM 1578 CA CYS A 103 27.192 -13.157 -12.530 1.00 0.00 C ATOM 1579 C CYS A 103 28.156 -13.797 -11.541 1.00 0.00 C ATOM 1580 O CYS A 103 29.038 -14.565 -11.925 1.00 0.00 O ATOM 1581 CB CYS A 103 27.716 -11.779 -12.942 1.00 0.00 C ATOM 1582 SG CYS A 103 26.675 -11.110 -14.263 1.00 0.00 S ATOM 0 H CYS A 103 25.514 -12.080 -11.873 1.00 0.00 H new ATOM 0 HA CYS A 103 27.119 -13.791 -13.414 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.713 -11.105 -12.085 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.749 -11.857 -13.282 1.00 0.00 H new ATOM 0 HG CYS A 103 27.117 -9.939 -14.613 1.00 0.00 H new ATOM 1588 N ALA A 104 27.978 -13.480 -10.266 1.00 0.00 N ATOM 1589 CA ALA A 104 28.832 -14.031 -9.230 1.00 0.00 C ATOM 1590 C ALA A 104 28.737 -15.553 -9.220 1.00 0.00 C ATOM 1591 O ALA A 104 29.714 -16.243 -8.936 1.00 0.00 O ATOM 1592 CB ALA A 104 28.419 -13.480 -7.860 1.00 0.00 C ATOM 0 H ALA A 104 27.253 -12.847 -9.928 1.00 0.00 H new ATOM 0 HA ALA A 104 29.862 -13.741 -9.438 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.066 -13.899 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.513 -12.394 -7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.384 -13.754 -7.654 1.00 0.00 H new ATOM 1598 N ILE A 105 27.548 -16.070 -9.512 1.00 0.00 N ATOM 1599 CA ILE A 105 27.334 -17.515 -9.508 1.00 0.00 C ATOM 1600 C ILE A 105 28.194 -18.176 -10.582 1.00 0.00 C ATOM 1601 O ILE A 105 28.813 -19.213 -10.346 1.00 0.00 O ATOM 1602 CB ILE A 105 25.861 -17.817 -9.792 1.00 0.00 C ATOM 1603 CG1 ILE A 105 24.980 -16.973 -8.865 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.588 -19.300 -9.512 1.00 0.00 C ATOM 1605 CD1 ILE A 105 25.442 -17.098 -7.413 1.00 0.00 C ATOM 0 H ILE A 105 26.725 -15.518 -9.752 1.00 0.00 H new ATOM 0 HA ILE A 105 27.611 -17.908 -8.530 1.00 0.00 H new ATOM 0 HB ILE A 105 25.637 -17.583 -10.833 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.016 -15.928 -9.174 1.00 0.00 H new ATOM 0 HG13 ILE A 105 23.942 -17.295 -8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.540 -19.521 -9.713 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.218 -19.914 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.812 -19.520 -8.468 1.00 0.00 H new ATOM 0 HD11 ILE A 105 24.802 -16.490 -6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 105 25.382 -18.141 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 105 26.472 -16.753 -7.328 1.00 0.00 H new ATOM 1617 N ILE A 106 28.228 -17.567 -11.763 1.00 0.00 N ATOM 1618 CA ILE A 106 29.014 -18.108 -12.865 1.00 0.00 C ATOM 1619 C ILE A 106 30.491 -18.128 -12.496 1.00 0.00 C ATOM 1620 O ILE A 106 31.199 -19.096 -12.776 1.00 0.00 O ATOM 1621 CB ILE A 106 28.810 -17.256 -14.123 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.368 -17.407 -14.609 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.767 -17.728 -15.224 1.00 0.00 C ATOM 1624 CD1 ILE A 106 27.076 -16.352 -15.680 1.00 0.00 C ATOM 0 H ILE A 106 27.725 -16.706 -11.980 1.00 0.00 H new ATOM 0 HA ILE A 106 28.682 -19.127 -13.063 1.00 0.00 H new ATOM 0 HB ILE A 106 29.012 -16.211 -13.889 1.00 0.00 H new ATOM 0 HG12 ILE A 106 27.213 -18.406 -15.016 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.678 -17.293 -13.773 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.621 -17.121 -16.118 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.796 -17.625 -14.880 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.565 -18.773 -15.458 1.00 0.00 H new ATOM 0 HD11 ILE A 106 26.048 -16.460 -16.026 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.214 -15.357 -15.258 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.758 -16.487 -16.520 1.00 0.00 H new ATOM 1636 N LEU A 107 30.955 -17.051 -11.874 1.00 0.00 N ATOM 1637 CA LEU A 107 32.352 -16.959 -11.483 1.00 0.00 C ATOM 1638 C LEU A 107 32.710 -18.067 -10.497 1.00 0.00 C ATOM 1639 O LEU A 107 33.770 -18.682 -10.597 1.00 0.00 O ATOM 1640 CB LEU A 107 32.632 -15.594 -10.843 1.00 0.00 C ATOM 1641 CG LEU A 107 34.102 -15.510 -10.398 1.00 0.00 C ATOM 1642 CD1 LEU A 107 35.031 -15.750 -11.601 1.00 0.00 C ATOM 1643 CD2 LEU A 107 34.372 -14.124 -9.805 1.00 0.00 C ATOM 0 H LEU A 107 30.389 -16.238 -11.632 1.00 0.00 H new ATOM 0 HA LEU A 107 32.964 -17.072 -12.378 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.414 -14.798 -11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 107 31.975 -15.444 -9.986 1.00 0.00 H new ATOM 0 HG LEU A 107 34.295 -16.274 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 107 36.070 -15.689 -11.276 1.00 0.00 H new ATOM 0 HD12 LEU A 107 34.839 -16.739 -12.018 1.00 0.00 H new ATOM 0 HD13 LEU A 107 34.843 -14.993 -12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 107 35.413 -14.060 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.175 -13.361 -10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.721 -13.963 -8.946 1.00 0.00 H new ATOM 1655 N ILE A 108 31.822 -18.310 -9.544 1.00 0.00 N ATOM 1656 CA ILE A 108 32.057 -19.340 -8.540 1.00 0.00 C ATOM 1657 C ILE A 108 32.164 -20.711 -9.200 1.00 0.00 C ATOM 1658 O ILE A 108 33.026 -21.515 -8.844 1.00 0.00 O ATOM 1659 CB ILE A 108 30.915 -19.346 -7.519 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.972 -18.065 -6.682 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.050 -20.560 -6.596 1.00 0.00 C ATOM 1662 CD1 ILE A 108 29.675 -17.918 -5.884 1.00 0.00 C ATOM 0 H ILE A 108 30.937 -17.812 -9.444 1.00 0.00 H new ATOM 0 HA ILE A 108 32.995 -19.120 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 108 29.963 -19.398 -8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 108 31.826 -18.098 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 108 31.112 -17.200 -7.331 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.235 -20.559 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.008 -21.474 -7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.003 -20.513 -6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 108 29.716 -17.006 -5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 108 28.830 -17.866 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 108 29.554 -18.777 -5.224 1.00 0.00 H new ATOM 1674 N ILE A 109 31.282 -20.974 -10.151 1.00 0.00 N ATOM 1675 CA ILE A 109 31.282 -22.256 -10.844 1.00 0.00 C ATOM 1676 C ILE A 109 32.594 -22.457 -11.594 1.00 0.00 C ATOM 1677 O ILE A 109 33.167 -23.547 -11.576 1.00 0.00 O ATOM 1678 CB ILE A 109 30.112 -22.315 -11.832 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.792 -22.340 -11.056 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.223 -23.581 -12.686 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.629 -22.114 -12.023 1.00 0.00 C ATOM 0 H ILE A 109 30.561 -20.323 -10.461 1.00 0.00 H new ATOM 0 HA ILE A 109 31.173 -23.049 -10.105 1.00 0.00 H new ATOM 0 HB ILE A 109 30.140 -21.438 -12.479 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.675 -23.297 -10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.795 -21.568 -10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.390 -23.621 -13.388 1.00 0.00 H new ATOM 0 HG22 ILE A 109 31.162 -23.566 -13.239 1.00 0.00 H new ATOM 0 HG23 ILE A 109 30.196 -24.459 -12.040 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.689 -22.132 -11.472 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.745 -21.147 -12.512 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.623 -22.902 -12.776 1.00 0.00 H new ATOM 1693 N ILE A 110 33.062 -21.408 -12.259 1.00 0.00 N ATOM 1694 CA ILE A 110 34.303 -21.497 -13.016 1.00 0.00 C ATOM 1695 C ILE A 110 35.472 -21.806 -12.086 1.00 0.00 C ATOM 1696 O ILE A 110 36.309 -22.656 -12.390 1.00 0.00 O ATOM 1697 CB ILE A 110 34.559 -20.173 -13.745 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.500 -19.980 -14.834 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.951 -20.195 -14.386 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.550 -18.540 -15.347 1.00 0.00 C ATOM 0 H ILE A 110 32.607 -20.496 -12.290 1.00 0.00 H new ATOM 0 HA ILE A 110 34.212 -22.302 -13.745 1.00 0.00 H new ATOM 0 HB ILE A 110 34.505 -19.351 -13.031 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.676 -20.676 -15.654 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.510 -20.201 -14.436 1.00 0.00 H new ATOM 0 HG21 ILE A 110 36.128 -19.252 -14.903 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.706 -20.332 -13.612 1.00 0.00 H new ATOM 0 HG23 ILE A 110 36.010 -21.017 -15.100 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.796 -18.404 -16.122 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.353 -17.853 -14.524 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.537 -18.335 -15.761 1.00 0.00 H new ATOM 1712 N ILE A 111 35.526 -21.115 -10.955 1.00 0.00 N ATOM 1713 CA ILE A 111 36.601 -21.333 -9.994 1.00 0.00 C ATOM 1714 C ILE A 111 36.524 -22.736 -9.408 1.00 0.00 C ATOM 1715 O ILE A 111 37.536 -23.426 -9.291 1.00 0.00 O ATOM 1716 CB ILE A 111 36.511 -20.297 -8.868 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.802 -18.896 -9.428 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.522 -20.629 -7.767 1.00 0.00 C ATOM 1719 CD1 ILE A 111 38.225 -18.813 -10.016 1.00 0.00 C ATOM 0 H ILE A 111 34.846 -20.406 -10.681 1.00 0.00 H new ATOM 0 HA ILE A 111 37.554 -21.225 -10.512 1.00 0.00 H new ATOM 0 HB ILE A 111 35.506 -20.318 -8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.072 -18.652 -10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.689 -18.155 -8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.450 -19.887 -6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.307 -21.618 -7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.529 -20.619 -8.183 1.00 0.00 H new ATOM 0 HD11 ILE A 111 38.400 -17.810 -10.404 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.954 -19.033 -9.236 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.328 -19.538 -10.824 1.00 0.00 H new ATOM 1731 N VAL A 112 35.320 -23.150 -9.045 1.00 0.00 N ATOM 1732 CA VAL A 112 35.119 -24.470 -8.473 1.00 0.00 C ATOM 1733 C VAL A 112 35.392 -25.543 -9.516 1.00 0.00 C ATOM 1734 O VAL A 112 36.018 -26.561 -9.228 1.00 0.00 O ATOM 1735 CB VAL A 112 33.687 -24.598 -7.944 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.432 -26.041 -7.501 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.500 -23.660 -6.749 1.00 0.00 C ATOM 0 H VAL A 112 34.471 -22.593 -9.136 1.00 0.00 H new ATOM 0 HA VAL A 112 35.815 -24.605 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 112 32.984 -24.330 -8.733 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.413 -26.131 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.566 -26.711 -8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.135 -26.309 -6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.481 -23.750 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.204 -23.929 -5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.681 -22.632 -7.062 1.00 0.00 H new ATOM 1747 N TYR A 113 34.903 -25.312 -10.729 1.00 0.00 N ATOM 1748 CA TYR A 113 35.088 -26.272 -11.805 1.00 0.00 C ATOM 1749 C TYR A 113 36.569 -26.490 -12.087 1.00 0.00 C ATOM 1750 O TYR A 113 37.022 -27.622 -12.259 1.00 0.00 O ATOM 1751 CB TYR A 113 34.385 -25.784 -13.074 1.00 0.00 C ATOM 1752 CG TYR A 113 34.653 -26.748 -14.206 1.00 0.00 C ATOM 1753 CD1 TYR A 113 33.923 -27.939 -14.297 1.00 0.00 C ATOM 1754 CD2 TYR A 113 35.630 -26.452 -15.165 1.00 0.00 C ATOM 1755 CE1 TYR A 113 34.171 -28.834 -15.345 1.00 0.00 C ATOM 1756 CE2 TYR A 113 35.877 -27.346 -16.213 1.00 0.00 C ATOM 1757 CZ TYR A 113 35.147 -28.537 -16.302 1.00 0.00 C ATOM 1758 OH TYR A 113 35.392 -29.420 -17.335 1.00 0.00 O ATOM 0 H TYR A 113 34.380 -24.475 -10.988 1.00 0.00 H new ATOM 0 HA TYR A 113 34.650 -27.221 -11.494 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.312 -25.703 -12.899 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.741 -24.788 -13.339 1.00 0.00 H new ATOM 0 HD1 TYR A 113 33.168 -28.168 -13.559 1.00 0.00 H new ATOM 0 HD2 TYR A 113 36.193 -25.533 -15.096 1.00 0.00 H new ATOM 0 HE1 TYR A 113 33.609 -29.754 -15.414 1.00 0.00 H new ATOM 0 HE2 TYR A 113 36.630 -27.117 -16.952 1.00 0.00 H new ATOM 0 HH TYR A 113 36.099 -29.061 -17.911 1.00 0.00 H new ATOM 1768 N PHE A 114 37.311 -25.398 -12.135 1.00 0.00 N ATOM 1769 CA PHE A 114 38.743 -25.469 -12.401 1.00 0.00 C ATOM 1770 C PHE A 114 39.456 -26.249 -11.303 1.00 0.00 C ATOM 1771 O PHE A 114 40.509 -26.845 -11.534 1.00 0.00 O ATOM 1772 CB PHE A 114 39.333 -24.060 -12.494 1.00 0.00 C ATOM 1773 CG PHE A 114 40.828 -24.149 -12.709 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.334 -24.486 -13.969 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.706 -23.897 -11.646 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.717 -24.570 -14.168 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.088 -23.983 -11.846 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.595 -24.318 -13.107 1.00 0.00 C ATOM 0 H PHE A 114 36.951 -24.454 -11.994 1.00 0.00 H new ATOM 0 HA PHE A 114 38.888 -25.985 -13.350 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.869 -23.514 -13.316 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.119 -23.504 -11.581 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.658 -24.681 -14.788 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.316 -23.637 -10.673 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.107 -24.829 -15.141 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.765 -23.791 -11.026 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.662 -24.382 -13.261 1.00 0.00 H new ATOM 1788 N SER A 115 38.876 -26.239 -10.111 1.00 0.00 N ATOM 1789 CA SER A 115 39.461 -26.944 -8.977 1.00 0.00 C ATOM 1790 C SER A 115 39.095 -28.423 -9.020 1.00 0.00 C ATOM 1791 O SER A 115 39.646 -29.231 -8.272 1.00 0.00 O ATOM 1792 CB SER A 115 38.970 -26.333 -7.665 1.00 0.00 C ATOM 1793 OG SER A 115 37.598 -26.653 -7.480 1.00 0.00 O ATOM 0 H SER A 115 38.004 -25.753 -9.903 1.00 0.00 H new ATOM 0 HA SER A 115 40.545 -26.846 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 115 39.559 -26.714 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.103 -25.251 -7.682 1.00 0.00 H new ATOM 0 HG SER A 115 37.114 -26.518 -8.322 1.00 0.00 H new ATOM 1799 N THR A 116 38.162 -28.771 -9.900 1.00 0.00 N ATOM 1800 CA THR A 116 37.729 -30.156 -10.031 1.00 0.00 C ATOM 1801 C THR A 116 38.916 -31.060 -10.347 1.00 0.00 C ATOM 1802 O THR A 116 38.830 -32.241 -10.055 1.00 0.00 O ATOM 1803 CB THR A 116 36.685 -30.274 -11.143 1.00 0.00 C ATOM 1804 OG1 THR A 116 35.732 -29.230 -11.008 1.00 0.00 O ATOM 1805 CG2 THR A 116 35.979 -31.625 -11.041 1.00 0.00 C ATOM 1806 OXT THR A 116 39.894 -30.559 -10.877 1.00 0.00 O ATOM 0 H THR A 116 37.694 -28.118 -10.529 1.00 0.00 H new ATOM 0 HA THR A 116 37.288 -30.471 -9.085 1.00 0.00 H new ATOM 0 HB THR A 116 37.177 -30.196 -12.113 1.00 0.00 H new ATOM 0 HG1 THR A 116 35.748 -28.667 -11.810 1.00 0.00 H new ATOM 0 HG21 THR A 116 35.235 -31.708 -11.834 1.00 0.00 H new ATOM 0 HG22 THR A 116 36.710 -32.426 -11.144 1.00 0.00 H new ATOM 0 HG23 THR A 116 35.487 -31.706 -10.072 1.00 0.00 H new