USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=9 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= -0.363 K(o=-0.36,f=-0.96) USER MOD Single : A 46 MET CE :methyl -174:sc= 0 (180deg=-0.0122) USER MOD Single : A 49 ASN : amide:sc= -0.0319 K(o=-0.032,f=-0.64) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0413 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= -0.0802 (180deg=-0.612) 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 140:sc= -0.22 (180deg=-1.09) USER MOD Single : A 103 CYS SG : rot 180:sc= -2.14 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 4:sc= -0.4 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 38.243 -10.730 -28.794 1.00 0.00 N ATOM 506 CA GLN A 38 37.822 -9.406 -28.353 1.00 0.00 C ATOM 507 C GLN A 38 38.103 -8.369 -29.436 1.00 0.00 C ATOM 508 O GLN A 38 37.304 -7.460 -29.660 1.00 0.00 O ATOM 509 CB GLN A 38 38.562 -9.023 -27.071 1.00 0.00 C ATOM 510 CG GLN A 38 38.213 -10.018 -25.960 1.00 0.00 C ATOM 511 CD GLN A 38 36.737 -9.905 -25.601 1.00 0.00 C ATOM 512 OE1 GLN A 38 35.892 -10.538 -26.236 1.00 0.00 O ATOM 513 NE2 GLN A 38 36.371 -9.129 -24.619 1.00 0.00 N ATOM 0 HA GLN A 38 36.750 -9.431 -28.158 1.00 0.00 H new ATOM 0 HB2 GLN A 38 39.638 -9.021 -27.247 1.00 0.00 H new ATOM 0 HB3 GLN A 38 38.287 -8.013 -26.768 1.00 0.00 H new ATOM 0 HG2 GLN A 38 38.439 -11.033 -26.286 1.00 0.00 H new ATOM 0 HG3 GLN A 38 38.825 -9.822 -25.080 1.00 0.00 H new ATOM 0 HE21 GLN A 38 37.072 -8.606 -24.094 1.00 0.00 H new ATOM 0 HE22 GLN A 38 35.384 -9.045 -24.376 1.00 0.00 H new ATOM 522 N VAL A 39 39.243 -8.512 -30.104 1.00 0.00 N ATOM 523 CA VAL A 39 39.622 -7.581 -31.161 1.00 0.00 C ATOM 524 C VAL A 39 38.618 -7.635 -32.308 1.00 0.00 C ATOM 525 O VAL A 39 38.204 -6.603 -32.834 1.00 0.00 O ATOM 526 CB VAL A 39 41.020 -7.922 -31.684 1.00 0.00 C ATOM 527 CG1 VAL A 39 41.358 -7.018 -32.874 1.00 0.00 C ATOM 528 CG2 VAL A 39 42.048 -7.708 -30.570 1.00 0.00 C ATOM 0 H VAL A 39 39.917 -9.259 -29.934 1.00 0.00 H new ATOM 0 HA VAL A 39 39.628 -6.573 -30.746 1.00 0.00 H new ATOM 0 HB VAL A 39 41.043 -8.964 -32.004 1.00 0.00 H new ATOM 0 HG11 VAL A 39 42.353 -7.262 -33.245 1.00 0.00 H new ATOM 0 HG12 VAL A 39 40.627 -7.173 -33.668 1.00 0.00 H new ATOM 0 HG13 VAL A 39 41.334 -5.975 -32.557 1.00 0.00 H new ATOM 0 HG21 VAL A 39 43.043 -7.951 -30.942 1.00 0.00 H new ATOM 0 HG22 VAL A 39 42.025 -6.667 -30.248 1.00 0.00 H new ATOM 0 HG23 VAL A 39 41.809 -8.354 -29.725 1.00 0.00 H new ATOM 538 N ASP A 40 38.233 -8.848 -32.689 1.00 0.00 N ATOM 539 CA ASP A 40 37.280 -9.027 -33.778 1.00 0.00 C ATOM 540 C ASP A 40 36.012 -8.222 -33.512 1.00 0.00 C ATOM 541 O ASP A 40 35.424 -7.653 -34.431 1.00 0.00 O ATOM 542 CB ASP A 40 36.923 -10.509 -33.918 1.00 0.00 C ATOM 543 CG ASP A 40 36.236 -10.757 -35.257 1.00 0.00 C ATOM 544 OD1 ASP A 40 36.628 -10.130 -36.227 1.00 0.00 O ATOM 545 OD2 ASP A 40 35.329 -11.573 -35.293 1.00 0.00 O ATOM 0 H ASP A 40 38.563 -9.715 -32.264 1.00 0.00 H new ATOM 0 HA ASP A 40 37.738 -8.673 -34.702 1.00 0.00 H new ATOM 0 HB2 ASP A 40 37.825 -11.117 -33.845 1.00 0.00 H new ATOM 0 HB3 ASP A 40 36.267 -10.812 -33.102 1.00 0.00 H new ATOM 550 N GLU A 41 35.595 -8.183 -32.254 1.00 0.00 N ATOM 551 CA GLU A 41 34.394 -7.444 -31.883 1.00 0.00 C ATOM 552 C GLU A 41 34.611 -5.944 -32.065 1.00 0.00 C ATOM 553 O GLU A 41 33.691 -5.216 -32.438 1.00 0.00 O ATOM 554 CB GLU A 41 34.026 -7.739 -30.426 1.00 0.00 C ATOM 555 CG GLU A 41 32.645 -7.156 -30.115 1.00 0.00 C ATOM 556 CD GLU A 41 31.570 -7.952 -30.847 1.00 0.00 C ATOM 557 OE1 GLU A 41 31.905 -8.979 -31.414 1.00 0.00 O ATOM 558 OE2 GLU A 41 30.427 -7.525 -30.827 1.00 0.00 O ATOM 0 H GLU A 41 36.065 -8.650 -31.478 1.00 0.00 H new ATOM 0 HA GLU A 41 33.578 -7.762 -32.532 1.00 0.00 H new ATOM 0 HB2 GLU A 41 34.025 -8.815 -30.252 1.00 0.00 H new ATOM 0 HB3 GLU A 41 34.772 -7.309 -29.758 1.00 0.00 H new ATOM 0 HG2 GLU A 41 32.462 -7.184 -29.041 1.00 0.00 H new ATOM 0 HG3 GLU A 41 32.605 -6.110 -30.418 1.00 0.00 H new ATOM 565 N VAL A 42 35.828 -5.487 -31.793 1.00 0.00 N ATOM 566 CA VAL A 42 36.150 -4.071 -31.927 1.00 0.00 C ATOM 567 C VAL A 42 36.073 -3.641 -33.388 1.00 0.00 C ATOM 568 O VAL A 42 35.821 -2.473 -33.687 1.00 0.00 O ATOM 569 CB VAL A 42 37.553 -3.800 -31.381 1.00 0.00 C ATOM 570 CG1 VAL A 42 37.929 -2.337 -31.628 1.00 0.00 C ATOM 571 CG2 VAL A 42 37.579 -4.083 -29.878 1.00 0.00 C ATOM 0 H VAL A 42 36.603 -6.072 -31.480 1.00 0.00 H new ATOM 0 HA VAL A 42 35.423 -3.495 -31.354 1.00 0.00 H new ATOM 0 HB VAL A 42 38.268 -4.448 -31.888 1.00 0.00 H new ATOM 0 HG11 VAL A 42 38.929 -2.147 -31.238 1.00 0.00 H new ATOM 0 HG12 VAL A 42 37.913 -2.133 -32.699 1.00 0.00 H new ATOM 0 HG13 VAL A 42 37.214 -1.687 -31.124 1.00 0.00 H new ATOM 0 HG21 VAL A 42 38.579 -3.890 -29.489 1.00 0.00 H new ATOM 0 HG22 VAL A 42 36.862 -3.436 -29.373 1.00 0.00 H new ATOM 0 HG23 VAL A 42 37.315 -5.125 -29.699 1.00 0.00 H new ATOM 581 N VAL A 43 36.297 -4.585 -34.293 1.00 0.00 N ATOM 582 CA VAL A 43 36.254 -4.285 -35.719 1.00 0.00 C ATOM 583 C VAL A 43 34.855 -3.840 -36.128 1.00 0.00 C ATOM 584 O VAL A 43 34.691 -2.853 -36.845 1.00 0.00 O ATOM 585 CB VAL A 43 36.655 -5.524 -36.523 1.00 0.00 C ATOM 586 CG1 VAL A 43 36.562 -5.217 -38.020 1.00 0.00 C ATOM 587 CG2 VAL A 43 38.090 -5.919 -36.169 1.00 0.00 C ATOM 0 H VAL A 43 36.509 -5.557 -34.068 1.00 0.00 H new ATOM 0 HA VAL A 43 36.955 -3.476 -35.925 1.00 0.00 H new ATOM 0 HB VAL A 43 35.982 -6.347 -36.281 1.00 0.00 H new ATOM 0 HG11 VAL A 43 36.848 -6.100 -38.591 1.00 0.00 H new ATOM 0 HG12 VAL A 43 35.539 -4.938 -38.271 1.00 0.00 H new ATOM 0 HG13 VAL A 43 37.233 -4.394 -38.265 1.00 0.00 H new ATOM 0 HG21 VAL A 43 38.376 -6.801 -36.741 1.00 0.00 H new ATOM 0 HG22 VAL A 43 38.764 -5.096 -36.409 1.00 0.00 H new ATOM 0 HG23 VAL A 43 38.154 -6.141 -35.104 1.00 0.00 H new ATOM 597 N ASP A 44 33.846 -4.573 -35.668 1.00 0.00 N ATOM 598 CA ASP A 44 32.462 -4.244 -35.992 1.00 0.00 C ATOM 599 C ASP A 44 32.088 -2.879 -35.426 1.00 0.00 C ATOM 600 O ASP A 44 31.428 -2.079 -36.090 1.00 0.00 O ATOM 601 CB ASP A 44 31.522 -5.308 -35.423 1.00 0.00 C ATOM 602 CG ASP A 44 31.653 -6.600 -36.223 1.00 0.00 C ATOM 603 OD1 ASP A 44 32.321 -6.577 -37.243 1.00 0.00 O ATOM 604 OD2 ASP A 44 31.082 -7.593 -35.802 1.00 0.00 O ATOM 0 H ASP A 44 33.959 -5.394 -35.073 1.00 0.00 H new ATOM 0 HA ASP A 44 32.362 -4.215 -37.077 1.00 0.00 H new ATOM 0 HB2 ASP A 44 31.760 -5.493 -34.376 1.00 0.00 H new ATOM 0 HB3 ASP A 44 30.492 -4.952 -35.458 1.00 0.00 H new ATOM 609 N ILE A 45 32.515 -2.618 -34.194 1.00 0.00 N ATOM 610 CA ILE A 45 32.216 -1.345 -33.548 1.00 0.00 C ATOM 611 C ILE A 45 32.866 -0.193 -34.311 1.00 0.00 C ATOM 612 O ILE A 45 32.248 0.849 -34.524 1.00 0.00 O ATOM 613 CB ILE A 45 32.725 -1.361 -32.102 1.00 0.00 C ATOM 614 CG1 ILE A 45 31.898 -2.355 -31.283 1.00 0.00 C ATOM 615 CG2 ILE A 45 32.589 0.037 -31.489 1.00 0.00 C ATOM 616 CD1 ILE A 45 32.583 -2.603 -29.937 1.00 0.00 C ATOM 0 H ILE A 45 33.064 -3.265 -33.628 1.00 0.00 H new ATOM 0 HA ILE A 45 31.136 -1.200 -33.549 1.00 0.00 H new ATOM 0 HB ILE A 45 33.773 -1.659 -32.093 1.00 0.00 H new ATOM 0 HG12 ILE A 45 30.893 -1.964 -31.125 1.00 0.00 H new ATOM 0 HG13 ILE A 45 31.793 -3.293 -31.828 1.00 0.00 H new ATOM 0 HG21 ILE A 45 32.952 0.021 -30.461 1.00 0.00 H new ATOM 0 HG22 ILE A 45 33.177 0.748 -32.070 1.00 0.00 H new ATOM 0 HG23 ILE A 45 31.542 0.338 -31.499 1.00 0.00 H new ATOM 0 HD11 ILE A 45 31.994 -3.311 -29.354 1.00 0.00 H new ATOM 0 HD12 ILE A 45 33.579 -3.012 -30.106 1.00 0.00 H new ATOM 0 HD13 ILE A 45 32.664 -1.663 -29.392 1.00 0.00 H new ATOM 628 N MET A 46 34.114 -0.389 -34.714 1.00 0.00 N ATOM 629 CA MET A 46 34.839 0.640 -35.447 1.00 0.00 C ATOM 630 C MET A 46 34.178 0.907 -36.796 1.00 0.00 C ATOM 631 O MET A 46 34.070 2.052 -37.227 1.00 0.00 O ATOM 632 CB MET A 46 36.289 0.197 -35.663 1.00 0.00 C ATOM 633 CG MET A 46 37.069 0.319 -34.348 1.00 0.00 C ATOM 634 SD MET A 46 37.280 2.065 -33.915 1.00 0.00 S ATOM 635 CE MET A 46 38.759 2.378 -34.912 1.00 0.00 C ATOM 0 H MET A 46 34.643 -1.245 -34.547 1.00 0.00 H new ATOM 0 HA MET A 46 34.821 1.560 -34.862 1.00 0.00 H new ATOM 0 HB2 MET A 46 36.315 -0.833 -36.018 1.00 0.00 H new ATOM 0 HB3 MET A 46 36.756 0.812 -36.432 1.00 0.00 H new ATOM 0 HG2 MET A 46 36.538 -0.201 -33.551 1.00 0.00 H new ATOM 0 HG3 MET A 46 38.043 -0.160 -34.447 1.00 0.00 H new ATOM 0 HE1 MET A 46 39.129 3.383 -34.709 1.00 0.00 H new ATOM 0 HE2 MET A 46 39.529 1.650 -34.659 1.00 0.00 H new ATOM 0 HE3 MET A 46 38.510 2.290 -35.970 1.00 0.00 H new ATOM 645 N ARG A 47 33.739 -0.157 -37.457 1.00 0.00 N ATOM 646 CA ARG A 47 33.097 -0.019 -38.759 1.00 0.00 C ATOM 647 C ARG A 47 31.839 0.835 -38.647 1.00 0.00 C ATOM 648 O ARG A 47 31.587 1.697 -39.488 1.00 0.00 O ATOM 649 CB ARG A 47 32.737 -1.401 -39.309 1.00 0.00 C ATOM 650 CG ARG A 47 32.142 -1.256 -40.712 1.00 0.00 C ATOM 651 CD ARG A 47 31.849 -2.641 -41.288 1.00 0.00 C ATOM 652 NE ARG A 47 31.270 -2.517 -42.621 1.00 0.00 N ATOM 653 CZ ARG A 47 31.038 -3.590 -43.370 1.00 0.00 C ATOM 654 NH1 ARG A 47 31.326 -4.778 -42.916 1.00 0.00 N ATOM 655 NH2 ARG A 47 30.516 -3.454 -44.559 1.00 0.00 N ATOM 0 H ARG A 47 33.814 -1.116 -37.118 1.00 0.00 H new ATOM 0 HA ARG A 47 33.793 0.472 -39.440 1.00 0.00 H new ATOM 0 HB2 ARG A 47 33.625 -2.033 -39.343 1.00 0.00 H new ATOM 0 HB3 ARG A 47 32.022 -1.891 -38.649 1.00 0.00 H new ATOM 0 HG2 ARG A 47 31.226 -0.667 -40.671 1.00 0.00 H new ATOM 0 HG3 ARG A 47 32.837 -0.721 -41.359 1.00 0.00 H new ATOM 0 HD2 ARG A 47 32.768 -3.226 -41.335 1.00 0.00 H new ATOM 0 HD3 ARG A 47 31.163 -3.178 -40.633 1.00 0.00 H new ATOM 0 HE ARG A 47 31.040 -1.592 -42.984 1.00 0.00 H new ATOM 0 HH11 ARG A 47 31.730 -4.884 -41.985 1.00 0.00 H new ATOM 0 HH12 ARG A 47 31.148 -5.601 -43.492 1.00 0.00 H new ATOM 0 HH21 ARG A 47 30.287 -2.525 -44.912 1.00 0.00 H new ATOM 0 HH22 ARG A 47 30.338 -4.277 -45.135 1.00 0.00 H new ATOM 669 N VAL A 48 31.055 0.590 -37.606 1.00 0.00 N ATOM 670 CA VAL A 48 29.826 1.341 -37.395 1.00 0.00 C ATOM 671 C VAL A 48 30.134 2.815 -37.160 1.00 0.00 C ATOM 672 O VAL A 48 29.457 3.694 -37.696 1.00 0.00 O ATOM 673 CB VAL A 48 29.062 0.774 -36.193 1.00 0.00 C ATOM 674 CG1 VAL A 48 27.846 1.654 -35.890 1.00 0.00 C ATOM 675 CG2 VAL A 48 28.595 -0.650 -36.509 1.00 0.00 C ATOM 0 H VAL A 48 31.247 -0.119 -36.898 1.00 0.00 H new ATOM 0 HA VAL A 48 29.209 1.249 -38.289 1.00 0.00 H new ATOM 0 HB VAL A 48 29.720 0.758 -35.324 1.00 0.00 H new ATOM 0 HG11 VAL A 48 27.306 1.247 -35.035 1.00 0.00 H new ATOM 0 HG12 VAL A 48 28.178 2.667 -35.661 1.00 0.00 H new ATOM 0 HG13 VAL A 48 27.187 1.676 -36.758 1.00 0.00 H new ATOM 0 HG21 VAL A 48 28.052 -1.053 -35.654 1.00 0.00 H new ATOM 0 HG22 VAL A 48 27.940 -0.633 -37.380 1.00 0.00 H new ATOM 0 HG23 VAL A 48 29.460 -1.279 -36.718 1.00 0.00 H new ATOM 685 N ASN A 49 31.156 3.080 -36.355 1.00 0.00 N ATOM 686 CA ASN A 49 31.537 4.453 -36.055 1.00 0.00 C ATOM 687 C ASN A 49 31.885 5.197 -37.339 1.00 0.00 C ATOM 688 O ASN A 49 31.520 6.358 -37.513 1.00 0.00 O ATOM 689 CB ASN A 49 32.740 4.463 -35.109 1.00 0.00 C ATOM 690 CG ASN A 49 33.197 5.896 -34.859 1.00 0.00 C ATOM 691 OD1 ASN A 49 33.962 6.451 -35.648 1.00 0.00 O ATOM 692 ND2 ASN A 49 32.770 6.532 -33.802 1.00 0.00 N ATOM 0 H ASN A 49 31.731 2.369 -35.902 1.00 0.00 H new ATOM 0 HA ASN A 49 30.696 4.954 -35.574 1.00 0.00 H new ATOM 0 HB2 ASN A 49 32.474 3.988 -34.165 1.00 0.00 H new ATOM 0 HB3 ASN A 49 33.556 3.882 -35.539 1.00 0.00 H new ATOM 0 HD21 ASN A 49 33.070 7.491 -33.628 1.00 0.00 H new ATOM 0 HD22 ASN A 49 32.136 6.070 -33.150 1.00 0.00 H new ATOM 699 N VAL A 50 32.591 4.518 -38.235 1.00 0.00 N ATOM 700 CA VAL A 50 32.984 5.121 -39.505 1.00 0.00 C ATOM 701 C VAL A 50 31.759 5.429 -40.354 1.00 0.00 C ATOM 702 O VAL A 50 31.672 6.481 -40.985 1.00 0.00 O ATOM 703 CB VAL A 50 33.932 4.189 -40.267 1.00 0.00 C ATOM 704 CG1 VAL A 50 34.213 4.766 -41.656 1.00 0.00 C ATOM 705 CG2 VAL A 50 35.247 4.063 -39.494 1.00 0.00 C ATOM 0 H VAL A 50 32.902 3.555 -38.108 1.00 0.00 H new ATOM 0 HA VAL A 50 33.504 6.056 -39.294 1.00 0.00 H new ATOM 0 HB VAL A 50 33.471 3.207 -40.370 1.00 0.00 H new ATOM 0 HG11 VAL A 50 34.887 4.102 -42.196 1.00 0.00 H new ATOM 0 HG12 VAL A 50 33.277 4.860 -42.207 1.00 0.00 H new ATOM 0 HG13 VAL A 50 34.675 5.748 -41.555 1.00 0.00 H new ATOM 0 HG21 VAL A 50 35.924 3.400 -40.033 1.00 0.00 H new ATOM 0 HG22 VAL A 50 35.706 5.047 -39.393 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.049 3.652 -38.504 1.00 0.00 H new ATOM 715 N ASP A 51 30.825 4.497 -40.369 1.00 0.00 N ATOM 716 CA ASP A 51 29.604 4.660 -41.151 1.00 0.00 C ATOM 717 C ASP A 51 28.815 5.875 -40.669 1.00 0.00 C ATOM 718 O ASP A 51 28.179 6.572 -41.460 1.00 0.00 O ATOM 719 CB ASP A 51 28.731 3.407 -41.037 1.00 0.00 C ATOM 720 CG ASP A 51 27.470 3.565 -41.885 1.00 0.00 C ATOM 721 OD1 ASP A 51 27.285 4.632 -42.445 1.00 0.00 O ATOM 722 OD2 ASP A 51 26.706 2.617 -41.956 1.00 0.00 O ATOM 0 H ASP A 51 30.884 3.620 -39.852 1.00 0.00 H new ATOM 0 HA ASP A 51 29.885 4.811 -42.193 1.00 0.00 H new ATOM 0 HB2 ASP A 51 29.292 2.532 -41.366 1.00 0.00 H new ATOM 0 HB3 ASP A 51 28.459 3.238 -39.995 1.00 0.00 H new ATOM 727 N LYS A 52 28.861 6.125 -39.365 1.00 0.00 N ATOM 728 CA LYS A 52 28.149 7.254 -38.786 1.00 0.00 C ATOM 729 C LYS A 52 28.712 8.564 -39.314 1.00 0.00 C ATOM 730 O LYS A 52 27.977 9.529 -39.519 1.00 0.00 O ATOM 731 CB LYS A 52 28.262 7.217 -37.261 1.00 0.00 C ATOM 732 CG LYS A 52 27.409 8.334 -36.657 1.00 0.00 C ATOM 733 CD LYS A 52 27.476 8.260 -35.131 1.00 0.00 C ATOM 734 CE LYS A 52 26.608 9.366 -34.527 1.00 0.00 C ATOM 735 NZ LYS A 52 26.659 9.281 -33.042 1.00 0.00 N ATOM 0 H LYS A 52 29.382 5.562 -38.693 1.00 0.00 H new ATOM 0 HA LYS A 52 27.099 7.185 -39.069 1.00 0.00 H new ATOM 0 HB2 LYS A 52 27.931 6.249 -36.885 1.00 0.00 H new ATOM 0 HB3 LYS A 52 29.303 7.337 -36.960 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.766 9.305 -37.000 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.376 8.238 -36.991 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.131 7.284 -34.788 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.508 8.369 -34.796 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.961 10.342 -34.858 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.579 9.265 -34.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.069 10.032 -32.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.302 8.354 -32.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.641 9.397 -32.721 1.00 0.00 H new ATOM 1144 N THR A 79 11.396 1.796 -34.024 1.00 0.00 N ATOM 1145 CA THR A 79 10.993 2.318 -32.723 1.00 0.00 C ATOM 1146 C THR A 79 11.166 1.257 -31.642 1.00 0.00 C ATOM 1147 O THR A 79 11.584 1.557 -30.523 1.00 0.00 O ATOM 1148 CB THR A 79 9.528 2.762 -32.770 1.00 0.00 C ATOM 1149 OG1 THR A 79 8.701 1.631 -33.004 1.00 0.00 O ATOM 1150 CG2 THR A 79 9.336 3.773 -33.900 1.00 0.00 C ATOM 0 HA THR A 79 11.627 3.172 -32.484 1.00 0.00 H new ATOM 0 HB THR A 79 9.258 3.224 -31.820 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.763 1.912 -33.033 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.293 4.088 -33.933 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.972 4.640 -33.724 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.606 3.312 -34.850 1.00 0.00 H new ATOM 1158 N SER A 80 10.845 0.012 -31.985 1.00 0.00 N ATOM 1159 CA SER A 80 10.969 -1.087 -31.034 1.00 0.00 C ATOM 1160 C SER A 80 12.422 -1.261 -30.603 1.00 0.00 C ATOM 1161 O SER A 80 12.710 -1.458 -29.424 1.00 0.00 O ATOM 1162 CB SER A 80 10.461 -2.384 -31.664 1.00 0.00 C ATOM 1163 OG SER A 80 10.227 -3.343 -30.642 1.00 0.00 O ATOM 0 H SER A 80 10.500 -0.259 -32.906 1.00 0.00 H new ATOM 0 HA SER A 80 10.368 -0.852 -30.156 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.542 -2.196 -32.220 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.192 -2.766 -32.377 1.00 0.00 H new ATOM 0 HG SER A 80 9.900 -4.175 -31.043 1.00 0.00 H new ATOM 1169 N ALA A 81 13.332 -1.188 -31.570 1.00 0.00 N ATOM 1170 CA ALA A 81 14.755 -1.340 -31.281 1.00 0.00 C ATOM 1171 C ALA A 81 15.241 -0.218 -30.368 1.00 0.00 C ATOM 1172 O ALA A 81 16.098 -0.432 -29.511 1.00 0.00 O ATOM 1173 CB ALA A 81 15.556 -1.328 -32.583 1.00 0.00 C ATOM 0 H ALA A 81 13.113 -1.026 -32.553 1.00 0.00 H new ATOM 0 HA ALA A 81 14.904 -2.293 -30.773 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.617 -1.442 -32.359 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.229 -2.151 -33.219 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.394 -0.383 -33.101 1.00 0.00 H new ATOM 1179 N ALA A 82 14.692 0.975 -30.563 1.00 0.00 N ATOM 1180 CA ALA A 82 15.080 2.123 -29.753 1.00 0.00 C ATOM 1181 C ALA A 82 14.779 1.869 -28.280 1.00 0.00 C ATOM 1182 O ALA A 82 15.527 2.301 -27.401 1.00 0.00 O ATOM 1183 CB ALA A 82 14.324 3.370 -30.218 1.00 0.00 C ATOM 0 H ALA A 82 13.983 1.172 -31.269 1.00 0.00 H new ATOM 0 HA ALA A 82 16.152 2.279 -29.872 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.620 4.223 -29.608 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.562 3.571 -31.263 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.252 3.205 -30.115 1.00 0.00 H new ATOM 1189 N LYS A 83 13.683 1.167 -28.015 1.00 0.00 N ATOM 1190 CA LYS A 83 13.295 0.870 -26.644 1.00 0.00 C ATOM 1191 C LYS A 83 14.389 0.069 -25.942 1.00 0.00 C ATOM 1192 O LYS A 83 14.760 0.370 -24.808 1.00 0.00 O ATOM 1193 CB LYS A 83 11.990 0.069 -26.636 1.00 0.00 C ATOM 1194 CG LYS A 83 11.516 -0.128 -25.195 1.00 0.00 C ATOM 1195 CD LYS A 83 10.181 -0.875 -25.191 1.00 0.00 C ATOM 1196 CE LYS A 83 9.703 -1.061 -23.750 1.00 0.00 C ATOM 1197 NZ LYS A 83 9.461 0.275 -23.134 1.00 0.00 N ATOM 0 H LYS A 83 13.053 0.796 -28.726 1.00 0.00 H new ATOM 0 HA LYS A 83 13.149 1.810 -26.112 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.227 0.593 -27.212 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.143 -0.898 -27.115 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.260 -0.690 -24.630 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.405 0.838 -24.703 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.439 -0.317 -25.762 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.294 -1.845 -25.676 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.788 -1.653 -23.732 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.449 -1.609 -23.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.807 0.174 -22.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.362 0.671 -22.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.044 0.913 -23.842 1.00 0.00 H new ATOM 1211 N LEU A 84 14.899 -0.950 -26.624 1.00 0.00 N ATOM 1212 CA LEU A 84 15.948 -1.790 -26.058 1.00 0.00 C ATOM 1213 C LEU A 84 17.211 -0.973 -25.814 1.00 0.00 C ATOM 1214 O LEU A 84 17.877 -1.125 -24.790 1.00 0.00 O ATOM 1215 CB LEU A 84 16.251 -2.952 -27.010 1.00 0.00 C ATOM 1216 CG LEU A 84 15.201 -4.063 -26.827 1.00 0.00 C ATOM 1217 CD1 LEU A 84 15.358 -4.752 -25.449 1.00 0.00 C ATOM 1218 CD2 LEU A 84 13.797 -3.449 -26.951 1.00 0.00 C ATOM 0 H LEU A 84 14.605 -1.214 -27.565 1.00 0.00 H new ATOM 0 HA LEU A 84 15.603 -2.188 -25.104 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.245 -2.600 -28.042 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.248 -3.345 -26.813 1.00 0.00 H new ATOM 0 HG LEU A 84 15.346 -4.819 -27.599 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.605 -5.533 -25.345 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.352 -5.194 -25.374 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.229 -4.015 -24.657 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.046 -4.229 -26.823 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.664 -2.687 -26.183 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.684 -2.995 -27.936 1.00 0.00 H new ATOM 1230 N LYS A 85 17.534 -0.107 -26.760 1.00 0.00 N ATOM 1231 CA LYS A 85 18.716 0.727 -26.636 1.00 0.00 C ATOM 1232 C LYS A 85 18.591 1.656 -25.438 1.00 0.00 C ATOM 1233 O LYS A 85 19.571 1.925 -24.744 1.00 0.00 O ATOM 1234 CB LYS A 85 18.909 1.552 -27.910 1.00 0.00 C ATOM 1235 CG LYS A 85 20.224 2.328 -27.821 1.00 0.00 C ATOM 1236 CD LYS A 85 20.449 3.101 -29.123 1.00 0.00 C ATOM 1237 CE LYS A 85 21.773 3.865 -29.038 1.00 0.00 C ATOM 1238 NZ LYS A 85 22.004 4.598 -30.315 1.00 0.00 N ATOM 0 H LYS A 85 16.998 0.036 -27.616 1.00 0.00 H new ATOM 0 HA LYS A 85 19.581 0.080 -26.489 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.919 0.898 -28.782 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.075 2.242 -28.039 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.196 3.017 -26.977 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.052 1.642 -27.645 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.467 2.414 -29.969 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.626 3.795 -29.294 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.749 4.565 -28.203 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.594 3.173 -28.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.903 5.118 -30.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.044 3.920 -31.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.226 5.269 -30.476 1.00 0.00 H new ATOM 1252 N ARG A 86 17.384 2.151 -25.205 1.00 0.00 N ATOM 1253 CA ARG A 86 17.152 3.063 -24.093 1.00 0.00 C ATOM 1254 C ARG A 86 17.495 2.396 -22.767 1.00 0.00 C ATOM 1255 O ARG A 86 18.178 2.978 -21.925 1.00 0.00 O ATOM 1256 CB ARG A 86 15.686 3.501 -24.074 1.00 0.00 C ATOM 1257 CG ARG A 86 15.494 4.686 -23.106 1.00 0.00 C ATOM 1258 CD ARG A 86 15.754 6.007 -23.837 1.00 0.00 C ATOM 1259 NE ARG A 86 15.631 7.125 -22.913 1.00 0.00 N ATOM 1260 CZ ARG A 86 16.630 7.453 -22.100 1.00 0.00 C ATOM 1261 NH1 ARG A 86 17.739 6.765 -22.119 1.00 0.00 N ATOM 1262 NH2 ARG A 86 16.498 8.460 -21.284 1.00 0.00 N ATOM 0 H ARG A 86 16.558 1.940 -25.764 1.00 0.00 H new ATOM 0 HA ARG A 86 17.794 3.934 -24.227 1.00 0.00 H new ATOM 0 HB2 ARG A 86 15.372 3.788 -25.078 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.054 2.667 -23.769 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.481 4.677 -22.703 1.00 0.00 H new ATOM 0 HG3 ARG A 86 16.174 4.589 -22.260 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.751 5.997 -24.277 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.045 6.123 -24.657 1.00 0.00 H new ATOM 0 HE ARG A 86 14.766 7.664 -22.889 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.839 5.976 -22.758 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.506 7.016 -21.495 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.629 8.995 -21.270 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.263 8.714 -20.659 1.00 0.00 H new ATOM 1403 N LEU A 93 20.064 1.296 -11.569 1.00 0.00 N ATOM 1404 CA LEU A 93 21.078 0.855 -10.616 1.00 0.00 C ATOM 1405 C LEU A 93 20.660 -0.453 -9.957 1.00 0.00 C ATOM 1406 O LEU A 93 21.486 -1.341 -9.738 1.00 0.00 O ATOM 1407 CB LEU A 93 21.285 1.927 -9.544 1.00 0.00 C ATOM 1408 CG LEU A 93 21.547 3.281 -10.214 1.00 0.00 C ATOM 1409 CD1 LEU A 93 21.701 4.358 -9.136 1.00 0.00 C ATOM 1410 CD2 LEU A 93 22.832 3.208 -11.057 1.00 0.00 C ATOM 0 HA LEU A 93 22.012 0.694 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 93 20.405 1.991 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 93 22.125 1.658 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 93 20.708 3.530 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 93 21.887 5.322 -9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 93 20.787 4.414 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 93 22.538 4.105 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.012 4.173 -11.530 1.00 0.00 H new ATOM 0 HD22 LEU A 93 23.675 2.956 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 93 22.720 2.443 -11.825 1.00 0.00 H new ATOM 1422 N LYS A 94 19.376 -0.569 -9.643 1.00 0.00 N ATOM 1423 CA LYS A 94 18.860 -1.776 -9.009 1.00 0.00 C ATOM 1424 C LYS A 94 19.093 -2.991 -9.897 1.00 0.00 C ATOM 1425 O LYS A 94 19.485 -4.056 -9.419 1.00 0.00 O ATOM 1426 CB LYS A 94 17.364 -1.618 -8.729 1.00 0.00 C ATOM 1427 CG LYS A 94 16.856 -2.839 -7.957 1.00 0.00 C ATOM 1428 CD LYS A 94 15.377 -2.651 -7.621 1.00 0.00 C ATOM 1429 CE LYS A 94 14.875 -3.862 -6.834 1.00 0.00 C ATOM 1430 NZ LYS A 94 13.441 -3.665 -6.478 1.00 0.00 N ATOM 0 H LYS A 94 18.676 0.153 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 94 19.390 -1.926 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.185 -0.710 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.817 -1.514 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.993 -3.742 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.434 -2.970 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.239 -1.741 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.797 -2.533 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.992 -4.769 -7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.470 -3.994 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.100 -4.489 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.342 -2.809 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.879 -3.560 -7.347 1.00 0.00 H new ATOM 1444 N MET A 95 18.850 -2.827 -11.193 1.00 0.00 N ATOM 1445 CA MET A 95 19.039 -3.921 -12.138 1.00 0.00 C ATOM 1446 C MET A 95 20.508 -4.320 -12.206 1.00 0.00 C ATOM 1447 O MET A 95 20.837 -5.502 -12.309 1.00 0.00 O ATOM 1448 CB MET A 95 18.554 -3.501 -13.526 1.00 0.00 C ATOM 1449 CG MET A 95 17.030 -3.370 -13.517 1.00 0.00 C ATOM 1450 SD MET A 95 16.461 -2.842 -15.152 1.00 0.00 S ATOM 1451 CE MET A 95 14.690 -3.080 -14.863 1.00 0.00 C ATOM 0 H MET A 95 18.525 -1.955 -11.610 1.00 0.00 H new ATOM 0 HA MET A 95 18.458 -4.778 -11.796 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.009 -2.552 -13.810 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.862 -4.237 -14.268 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.574 -4.324 -13.252 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.721 -2.648 -12.762 1.00 0.00 H new ATOM 0 HE1 MET A 95 14.135 -2.809 -15.761 1.00 0.00 H new ATOM 0 HE2 MET A 95 14.498 -4.125 -14.620 1.00 0.00 H new ATOM 0 HE3 MET A 95 14.369 -2.450 -14.034 1.00 0.00 H new ATOM 1461 N MET A 96 21.391 -3.328 -12.153 1.00 0.00 N ATOM 1462 CA MET A 96 22.824 -3.590 -12.212 1.00 0.00 C ATOM 1463 C MET A 96 23.266 -4.415 -11.007 1.00 0.00 C ATOM 1464 O MET A 96 24.079 -5.331 -11.135 1.00 0.00 O ATOM 1465 CB MET A 96 23.594 -2.267 -12.237 1.00 0.00 C ATOM 1466 CG MET A 96 23.470 -1.625 -13.621 1.00 0.00 C ATOM 1467 SD MET A 96 24.259 0.005 -13.604 1.00 0.00 S ATOM 1468 CE MET A 96 25.962 -0.557 -13.351 1.00 0.00 C ATOM 0 H MET A 96 21.142 -2.342 -12.070 1.00 0.00 H new ATOM 0 HA MET A 96 23.037 -4.152 -13.121 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.202 -1.592 -11.476 1.00 0.00 H new ATOM 0 HB3 MET A 96 24.643 -2.441 -11.999 1.00 0.00 H new ATOM 0 HG2 MET A 96 23.940 -2.260 -14.372 1.00 0.00 H new ATOM 0 HG3 MET A 96 22.420 -1.530 -13.896 1.00 0.00 H new ATOM 0 HE1 MET A 96 26.637 0.043 -13.961 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.229 -0.448 -12.300 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.046 -1.605 -13.639 1.00 0.00 H new ATOM 1478 N ILE A 97 22.726 -4.087 -9.840 1.00 0.00 N ATOM 1479 CA ILE A 97 23.076 -4.805 -8.620 1.00 0.00 C ATOM 1480 C ILE A 97 22.634 -6.262 -8.715 1.00 0.00 C ATOM 1481 O ILE A 97 23.378 -7.171 -8.348 1.00 0.00 O ATOM 1482 CB ILE A 97 22.404 -4.142 -7.413 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.018 -2.758 -7.191 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.626 -5.001 -6.162 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.171 -1.982 -6.178 1.00 0.00 C ATOM 0 H ILE A 97 22.049 -3.335 -9.712 1.00 0.00 H new ATOM 0 HA ILE A 97 24.158 -4.771 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 97 21.335 -4.046 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.041 -2.856 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.066 -2.214 -8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.147 -4.527 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.194 -5.990 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.695 -5.098 -5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.607 -0.996 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.156 -1.873 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.146 -2.525 -5.233 1.00 0.00 H new ATOM 1497 N ILE A 98 21.419 -6.474 -9.209 1.00 0.00 N ATOM 1498 CA ILE A 98 20.886 -7.823 -9.343 1.00 0.00 C ATOM 1499 C ILE A 98 21.729 -8.631 -10.324 1.00 0.00 C ATOM 1500 O ILE A 98 22.020 -9.804 -10.087 1.00 0.00 O ATOM 1501 CB ILE A 98 19.433 -7.767 -9.831 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.555 -7.158 -8.734 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.939 -9.184 -10.149 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.174 -6.833 -9.309 1.00 0.00 C ATOM 0 H ILE A 98 20.789 -5.735 -9.521 1.00 0.00 H new ATOM 0 HA ILE A 98 20.918 -8.309 -8.368 1.00 0.00 H new ATOM 0 HB ILE A 98 19.376 -7.155 -10.731 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.459 -7.855 -7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.020 -6.253 -8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.906 -9.140 -10.495 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.565 -9.621 -10.927 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.995 -9.799 -9.251 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.548 -6.399 -8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.279 -6.121 -10.128 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.710 -7.747 -9.680 1.00 0.00 H new ATOM 1516 N LEU A 99 22.101 -8.004 -11.431 1.00 0.00 N ATOM 1517 CA LEU A 99 22.890 -8.683 -12.450 1.00 0.00 C ATOM 1518 C LEU A 99 24.238 -9.120 -11.869 1.00 0.00 C ATOM 1519 O LEU A 99 24.717 -10.223 -12.129 1.00 0.00 O ATOM 1520 CB LEU A 99 23.108 -7.742 -13.651 1.00 0.00 C ATOM 1521 CG LEU A 99 23.210 -8.556 -14.948 1.00 0.00 C ATOM 1522 CD1 LEU A 99 23.452 -7.612 -16.126 1.00 0.00 C ATOM 1523 CD2 LEU A 99 24.354 -9.575 -14.845 1.00 0.00 C ATOM 0 H LEU A 99 21.872 -7.034 -11.646 1.00 0.00 H new ATOM 0 HA LEU A 99 22.352 -9.570 -12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.283 -7.033 -13.722 1.00 0.00 H new ATOM 0 HB3 LEU A 99 24.018 -7.159 -13.506 1.00 0.00 H new ATOM 0 HG LEU A 99 22.277 -9.096 -15.106 1.00 0.00 H new ATOM 0 HD11 LEU A 99 23.524 -8.191 -17.047 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.624 -6.908 -16.204 1.00 0.00 H new ATOM 0 HD13 LEU A 99 24.381 -7.064 -15.968 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.417 -10.147 -15.771 1.00 0.00 H new ATOM 0 HD22 LEU A 99 25.295 -9.050 -14.678 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.164 -10.253 -14.013 1.00 0.00 H new ATOM 1535 N GLY A 100 24.846 -8.245 -11.078 1.00 0.00 N ATOM 1536 CA GLY A 100 26.137 -8.550 -10.477 1.00 0.00 C ATOM 1537 C GLY A 100 26.068 -9.830 -9.658 1.00 0.00 C ATOM 1538 O GLY A 100 27.011 -10.622 -9.643 1.00 0.00 O ATOM 0 H GLY A 100 24.470 -7.327 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.890 -8.654 -11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.450 -7.723 -9.840 1.00 0.00 H new ATOM 1542 N VAL A 101 24.947 -10.035 -8.980 1.00 0.00 N ATOM 1543 CA VAL A 101 24.771 -11.227 -8.164 1.00 0.00 C ATOM 1544 C VAL A 101 24.833 -12.483 -9.031 1.00 0.00 C ATOM 1545 O VAL A 101 25.474 -13.468 -8.667 1.00 0.00 O ATOM 1546 CB VAL A 101 23.420 -11.168 -7.437 1.00 0.00 C ATOM 1547 CG1 VAL A 101 23.177 -12.480 -6.689 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.432 -10.008 -6.437 1.00 0.00 C ATOM 0 H VAL A 101 24.152 -9.396 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 101 25.576 -11.267 -7.430 1.00 0.00 H new ATOM 0 HB VAL A 101 22.624 -11.017 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.217 -12.433 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 101 23.168 -13.307 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.972 -12.636 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.474 -9.964 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.230 -10.162 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.601 -9.071 -6.968 1.00 0.00 H new ATOM 1558 N ILE A 102 24.156 -12.446 -10.174 1.00 0.00 N ATOM 1559 CA ILE A 102 24.127 -13.594 -11.075 1.00 0.00 C ATOM 1560 C ILE A 102 25.521 -13.884 -11.610 1.00 0.00 C ATOM 1561 O ILE A 102 25.959 -15.034 -11.675 1.00 0.00 O ATOM 1562 CB ILE A 102 23.175 -13.312 -12.240 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.817 -12.838 -11.698 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.972 -14.591 -13.054 1.00 0.00 C ATOM 1565 CD1 ILE A 102 21.316 -13.792 -10.617 1.00 0.00 C ATOM 0 H ILE A 102 23.623 -11.639 -10.498 1.00 0.00 H new ATOM 0 HA ILE A 102 23.776 -14.465 -10.522 1.00 0.00 H new ATOM 0 HB ILE A 102 23.605 -12.536 -12.874 1.00 0.00 H new ATOM 0 HG12 ILE A 102 21.912 -11.832 -11.289 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.092 -12.785 -12.510 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.294 -14.391 -13.884 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.932 -14.931 -13.443 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.545 -15.365 -12.416 1.00 0.00 H new ATOM 0 HD11 ILE A 102 20.353 -13.444 -10.242 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.202 -14.791 -11.038 1.00 0.00 H new ATOM 0 HD13 ILE A 102 22.034 -13.823 -9.798 1.00 0.00 H new ATOM 1577 N CYS A 103 26.206 -12.828 -11.990 1.00 0.00 N ATOM 1578 CA CYS A 103 27.562 -12.959 -12.527 1.00 0.00 C ATOM 1579 C CYS A 103 28.504 -13.522 -11.467 1.00 0.00 C ATOM 1580 O CYS A 103 29.406 -14.300 -11.774 1.00 0.00 O ATOM 1581 CB CYS A 103 28.086 -11.605 -13.006 1.00 0.00 C ATOM 1582 SG CYS A 103 27.083 -11.038 -14.396 1.00 0.00 S ATOM 0 H CYS A 103 25.858 -11.870 -11.942 1.00 0.00 H new ATOM 0 HA CYS A 103 27.523 -13.645 -13.373 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.047 -10.879 -12.194 1.00 0.00 H new ATOM 0 HB3 CYS A 103 29.130 -11.691 -13.307 1.00 0.00 H new ATOM 0 HG CYS A 103 27.522 -9.885 -14.807 1.00 0.00 H new ATOM 1588 N ALA A 104 28.285 -13.121 -10.219 1.00 0.00 N ATOM 1589 CA ALA A 104 29.119 -13.588 -9.120 1.00 0.00 C ATOM 1590 C ALA A 104 29.030 -15.104 -8.988 1.00 0.00 C ATOM 1591 O ALA A 104 30.016 -15.766 -8.670 1.00 0.00 O ATOM 1592 CB ALA A 104 28.670 -12.935 -7.811 1.00 0.00 C ATOM 0 H ALA A 104 27.542 -12.478 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 104 30.152 -13.312 -9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.298 -13.289 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.760 -11.852 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.631 -13.198 -7.611 1.00 0.00 H new ATOM 1598 N ILE A 105 27.843 -15.645 -9.236 1.00 0.00 N ATOM 1599 CA ILE A 105 27.631 -17.086 -9.141 1.00 0.00 C ATOM 1600 C ILE A 105 28.485 -17.821 -10.171 1.00 0.00 C ATOM 1601 O ILE A 105 29.079 -18.858 -9.876 1.00 0.00 O ATOM 1602 CB ILE A 105 26.152 -17.419 -9.362 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.331 -16.862 -8.194 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.974 -18.939 -9.426 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.839 -16.965 -8.523 1.00 0.00 C ATOM 0 H ILE A 105 27.016 -15.111 -9.503 1.00 0.00 H new ATOM 0 HA ILE A 105 27.925 -17.412 -8.143 1.00 0.00 H new ATOM 0 HB ILE A 105 25.813 -16.974 -10.297 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.552 -17.417 -7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.602 -15.823 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.922 -19.176 -9.583 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.563 -19.340 -10.251 1.00 0.00 H new ATOM 0 HG23 ILE A 105 26.310 -19.384 -8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.255 -16.569 -7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.625 -16.390 -9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.574 -18.009 -8.687 1.00 0.00 H new ATOM 1617 N ILE A 106 28.534 -17.279 -11.382 1.00 0.00 N ATOM 1618 CA ILE A 106 29.303 -17.893 -12.457 1.00 0.00 C ATOM 1619 C ILE A 106 30.760 -18.047 -12.042 1.00 0.00 C ATOM 1620 O ILE A 106 31.402 -19.052 -12.350 1.00 0.00 O ATOM 1621 CB ILE A 106 29.217 -17.034 -13.722 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.747 -16.724 -14.030 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.838 -17.790 -14.900 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.923 -18.019 -14.102 1.00 0.00 C ATOM 0 H ILE A 106 28.052 -16.419 -11.643 1.00 0.00 H new ATOM 0 HA ILE A 106 28.886 -18.879 -12.663 1.00 0.00 H new ATOM 0 HB ILE A 106 29.760 -16.102 -13.564 1.00 0.00 H new ATOM 0 HG12 ILE A 106 27.339 -16.070 -13.260 1.00 0.00 H new ATOM 0 HG13 ILE A 106 27.674 -16.187 -14.976 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.776 -17.177 -15.799 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.883 -18.009 -14.682 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.298 -18.723 -15.059 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.883 -17.777 -14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.320 -18.660 -14.889 1.00 0.00 H new ATOM 0 HD13 ILE A 106 26.980 -18.540 -13.146 1.00 0.00 H new ATOM 1636 N LEU A 107 31.282 -17.049 -11.343 1.00 0.00 N ATOM 1637 CA LEU A 107 32.669 -17.086 -10.903 1.00 0.00 C ATOM 1638 C LEU A 107 32.907 -18.288 -9.993 1.00 0.00 C ATOM 1639 O LEU A 107 33.927 -18.968 -10.103 1.00 0.00 O ATOM 1640 CB LEU A 107 32.999 -15.800 -10.143 1.00 0.00 C ATOM 1641 CG LEU A 107 32.929 -14.600 -11.102 1.00 0.00 C ATOM 1642 CD1 LEU A 107 33.093 -13.301 -10.304 1.00 0.00 C ATOM 1643 CD2 LEU A 107 34.032 -14.697 -12.177 1.00 0.00 C ATOM 0 H LEU A 107 30.770 -16.210 -11.070 1.00 0.00 H new ATOM 0 HA LEU A 107 33.313 -17.173 -11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.297 -15.662 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.995 -15.870 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 107 31.960 -14.604 -11.602 1.00 0.00 H new ATOM 0 HD11 LEU A 107 33.044 -12.449 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 107 32.295 -13.224 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 107 34.057 -13.305 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.965 -13.839 -12.845 1.00 0.00 H new ATOM 0 HD22 LEU A 107 35.010 -14.707 -11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.901 -15.615 -12.751 1.00 0.00 H new ATOM 1655 N ILE A 108 31.961 -18.550 -9.101 1.00 0.00 N ATOM 1656 CA ILE A 108 32.085 -19.675 -8.182 1.00 0.00 C ATOM 1657 C ILE A 108 32.083 -20.992 -8.951 1.00 0.00 C ATOM 1658 O ILE A 108 32.870 -21.892 -8.664 1.00 0.00 O ATOM 1659 CB ILE A 108 30.932 -19.661 -7.180 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.848 -18.281 -6.518 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.162 -20.731 -6.109 1.00 0.00 C ATOM 1662 CD1 ILE A 108 32.195 -17.890 -5.892 1.00 0.00 C ATOM 0 H ILE A 108 31.106 -18.004 -8.994 1.00 0.00 H new ATOM 0 HA ILE A 108 33.029 -19.582 -7.645 1.00 0.00 H new ATOM 0 HB ILE A 108 29.999 -19.872 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 108 30.556 -17.536 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 108 30.074 -18.288 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.337 -20.717 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.217 -21.712 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.096 -20.527 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 108 32.109 -16.907 -5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 108 32.472 -18.625 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 108 32.961 -17.860 -6.667 1.00 0.00 H new ATOM 1674 N ILE A 109 31.190 -21.101 -9.927 1.00 0.00 N ATOM 1675 CA ILE A 109 31.096 -22.317 -10.722 1.00 0.00 C ATOM 1676 C ILE A 109 32.394 -22.554 -11.489 1.00 0.00 C ATOM 1677 O ILE A 109 32.897 -23.677 -11.547 1.00 0.00 O ATOM 1678 CB ILE A 109 29.930 -22.202 -11.708 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.610 -22.181 -10.934 1.00 0.00 C ATOM 1680 CG2 ILE A 109 29.937 -23.404 -12.658 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.470 -21.784 -11.874 1.00 0.00 C ATOM 0 H ILE A 109 30.527 -20.370 -10.185 1.00 0.00 H new ATOM 0 HA ILE A 109 30.925 -23.160 -10.052 1.00 0.00 H new ATOM 0 HB ILE A 109 30.035 -21.282 -12.284 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.414 -23.163 -10.503 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.674 -21.476 -10.105 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.106 -23.319 -13.358 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.876 -23.426 -13.210 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.834 -24.324 -12.082 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.531 -21.770 -11.321 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.665 -20.793 -12.284 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.401 -22.506 -12.688 1.00 0.00 H new ATOM 1693 N ILE A 110 32.931 -21.492 -12.076 1.00 0.00 N ATOM 1694 CA ILE A 110 34.169 -21.599 -12.836 1.00 0.00 C ATOM 1695 C ILE A 110 35.318 -22.015 -11.926 1.00 0.00 C ATOM 1696 O ILE A 110 36.135 -22.861 -12.288 1.00 0.00 O ATOM 1697 CB ILE A 110 34.494 -20.256 -13.499 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.450 -19.954 -14.576 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.882 -20.319 -14.144 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.594 -18.501 -15.036 1.00 0.00 C ATOM 0 H ILE A 110 32.532 -20.554 -12.041 1.00 0.00 H new ATOM 0 HA ILE A 110 34.038 -22.359 -13.607 1.00 0.00 H new ATOM 0 HB ILE A 110 34.481 -19.470 -12.744 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.580 -20.629 -15.422 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.448 -20.124 -14.183 1.00 0.00 H new ATOM 0 HG21 ILE A 110 36.109 -19.362 -14.614 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.629 -20.534 -13.380 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.898 -21.106 -14.898 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.850 -18.287 -15.803 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.443 -17.834 -14.187 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.592 -18.346 -15.445 1.00 0.00 H new ATOM 1712 N ILE A 111 35.380 -21.410 -10.747 1.00 0.00 N ATOM 1713 CA ILE A 111 36.446 -21.719 -9.803 1.00 0.00 C ATOM 1714 C ILE A 111 36.361 -23.175 -9.354 1.00 0.00 C ATOM 1715 O ILE A 111 37.372 -23.872 -9.286 1.00 0.00 O ATOM 1716 CB ILE A 111 36.344 -20.792 -8.580 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.669 -19.337 -8.990 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.316 -21.262 -7.483 1.00 0.00 C ATOM 1719 CD1 ILE A 111 38.186 -19.085 -8.967 1.00 0.00 C ATOM 0 H ILE A 111 34.712 -20.710 -10.424 1.00 0.00 H new ATOM 0 HA ILE A 111 37.404 -21.563 -10.299 1.00 0.00 H new ATOM 0 HB ILE A 111 35.327 -20.829 -8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.279 -19.141 -9.989 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.171 -18.644 -8.312 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.238 -20.601 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.063 -22.279 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.336 -21.239 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 111 38.388 -18.055 -9.259 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.568 -19.259 -7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.678 -19.763 -9.664 1.00 0.00 H new ATOM 1731 N VAL A 112 35.152 -23.625 -9.051 1.00 0.00 N ATOM 1732 CA VAL A 112 34.955 -24.994 -8.610 1.00 0.00 C ATOM 1733 C VAL A 112 35.261 -25.961 -9.747 1.00 0.00 C ATOM 1734 O VAL A 112 35.922 -26.980 -9.550 1.00 0.00 O ATOM 1735 CB VAL A 112 33.513 -25.183 -8.131 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.252 -26.663 -7.845 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.296 -24.372 -6.848 1.00 0.00 C ATOM 0 H VAL A 112 34.300 -23.066 -9.102 1.00 0.00 H new ATOM 0 HA VAL A 112 35.634 -25.201 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 112 32.827 -24.840 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.225 -26.792 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.408 -27.242 -8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 112 33.937 -27.010 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.270 -24.504 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 112 33.985 -24.718 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.478 -23.316 -7.050 1.00 0.00 H new ATOM 1747 N TYR A 113 34.766 -25.635 -10.933 1.00 0.00 N ATOM 1748 CA TYR A 113 34.982 -26.484 -12.095 1.00 0.00 C ATOM 1749 C TYR A 113 36.461 -26.558 -12.442 1.00 0.00 C ATOM 1750 O TYR A 113 36.975 -27.611 -12.822 1.00 0.00 O ATOM 1751 CB TYR A 113 34.173 -25.956 -13.298 1.00 0.00 C ATOM 1752 CG TYR A 113 32.763 -26.513 -13.266 1.00 0.00 C ATOM 1753 CD1 TYR A 113 32.006 -26.441 -12.088 1.00 0.00 C ATOM 1754 CD2 TYR A 113 32.216 -27.109 -14.410 1.00 0.00 C ATOM 1755 CE1 TYR A 113 30.709 -26.964 -12.057 1.00 0.00 C ATOM 1756 CE2 TYR A 113 30.920 -27.630 -14.378 1.00 0.00 C ATOM 1757 CZ TYR A 113 30.166 -27.558 -13.202 1.00 0.00 C ATOM 1758 OH TYR A 113 28.887 -28.072 -13.171 1.00 0.00 O ATOM 0 H TYR A 113 34.216 -24.795 -11.115 1.00 0.00 H new ATOM 0 HA TYR A 113 34.638 -27.490 -11.855 1.00 0.00 H new ATOM 0 HB2 TYR A 113 34.142 -24.867 -13.275 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.663 -26.241 -14.229 1.00 0.00 H new ATOM 0 HD1 TYR A 113 32.424 -25.982 -11.205 1.00 0.00 H new ATOM 0 HD2 TYR A 113 32.797 -27.166 -15.318 1.00 0.00 H new ATOM 0 HE1 TYR A 113 30.126 -26.909 -11.149 1.00 0.00 H new ATOM 0 HE2 TYR A 113 30.500 -28.088 -15.261 1.00 0.00 H new ATOM 0 HH TYR A 113 28.664 -28.447 -14.049 1.00 0.00 H new ATOM 1768 N PHE A 114 37.135 -25.433 -12.317 1.00 0.00 N ATOM 1769 CA PHE A 114 38.553 -25.367 -12.625 1.00 0.00 C ATOM 1770 C PHE A 114 39.340 -26.321 -11.739 1.00 0.00 C ATOM 1771 O PHE A 114 40.222 -27.043 -12.206 1.00 0.00 O ATOM 1772 CB PHE A 114 39.065 -23.935 -12.440 1.00 0.00 C ATOM 1773 CG PHE A 114 40.538 -23.880 -12.780 1.00 0.00 C ATOM 1774 CD1 PHE A 114 40.952 -23.945 -14.115 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.489 -23.763 -11.757 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.316 -23.896 -14.428 1.00 0.00 C ATOM 1777 CE2 PHE A 114 42.852 -23.713 -12.072 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.265 -23.780 -13.407 1.00 0.00 C ATOM 0 H PHE A 114 36.727 -24.552 -12.005 1.00 0.00 H new ATOM 0 HA PHE A 114 38.695 -25.665 -13.664 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.507 -23.252 -13.080 1.00 0.00 H new ATOM 0 HB3 PHE A 114 38.905 -23.610 -11.412 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.220 -24.033 -14.904 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.170 -23.711 -10.726 1.00 0.00 H new ATOM 0 HE1 PHE A 114 42.635 -23.948 -15.458 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.585 -23.623 -11.284 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.317 -23.742 -13.649 1.00 0.00 H new ATOM 1788 N SER A 115 39.017 -26.307 -10.455 1.00 0.00 N ATOM 1789 CA SER A 115 39.695 -27.165 -9.493 1.00 0.00 C ATOM 1790 C SER A 115 39.300 -28.616 -9.700 1.00 0.00 C ATOM 1791 O SER A 115 40.114 -29.526 -9.536 1.00 0.00 O ATOM 1792 CB SER A 115 39.361 -26.732 -8.064 1.00 0.00 C ATOM 1793 OG SER A 115 40.085 -27.544 -7.148 1.00 0.00 O ATOM 0 H SER A 115 38.291 -25.713 -10.055 1.00 0.00 H new ATOM 0 HA SER A 115 40.770 -27.070 -9.649 1.00 0.00 H new ATOM 0 HB2 SER A 115 39.618 -25.683 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 115 38.290 -26.826 -7.884 1.00 0.00 H new ATOM 0 HG SER A 115 39.875 -27.269 -6.231 1.00 0.00 H new ATOM 1799 N THR A 116 38.043 -28.823 -10.056 1.00 0.00 N ATOM 1800 CA THR A 116 37.531 -30.168 -10.281 1.00 0.00 C ATOM 1801 C THR A 116 38.513 -30.986 -11.115 1.00 0.00 C ATOM 1802 O THR A 116 38.614 -30.722 -12.302 1.00 0.00 O ATOM 1803 CB THR A 116 36.179 -30.106 -10.996 1.00 0.00 C ATOM 1804 OG1 THR A 116 35.342 -29.159 -10.349 1.00 0.00 O ATOM 1805 CG2 THR A 116 35.517 -31.481 -10.951 1.00 0.00 C ATOM 1806 OXT THR A 116 39.147 -31.865 -10.555 1.00 0.00 O ATOM 0 H THR A 116 37.358 -28.080 -10.196 1.00 0.00 H new ATOM 0 HA THR A 116 37.405 -30.651 -9.312 1.00 0.00 H new ATOM 0 HB THR A 116 36.331 -29.807 -12.033 1.00 0.00 H new ATOM 0 HG1 THR A 116 35.843 -28.714 -9.634 1.00 0.00 H new ATOM 0 HG21 THR A 116 34.554 -31.438 -11.460 1.00 0.00 H new ATOM 0 HG22 THR A 116 36.158 -32.210 -11.448 1.00 0.00 H new ATOM 0 HG23 THR A 116 35.366 -31.778 -9.913 1.00 0.00 H new