USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 38 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.6!) USER MOD Single : A 46 MET CE :methyl -173:sc= 0 (180deg=-0.0244) USER MOD Single : A 49 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.8) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -36:sc= 0.232 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+ 175:sc= 0 (180deg=-0.0289) 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 -42:sc= -0.553 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -17:sc= 0.0709 USER MOD Single : A 116 THR OG1 : rot -160:sc= -0.876 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 -29.087 1.892 32.174 1.00 0.00 N ATOM 506 CA GLN A 38 -29.215 3.315 31.887 1.00 0.00 C ATOM 507 C GLN A 38 -27.971 4.075 32.335 1.00 0.00 C ATOM 508 O GLN A 38 -27.363 4.807 31.554 1.00 0.00 O ATOM 509 CB GLN A 38 -30.441 3.881 32.605 1.00 0.00 C ATOM 510 CG GLN A 38 -30.589 5.366 32.272 1.00 0.00 C ATOM 511 CD GLN A 38 -31.921 5.890 32.799 1.00 0.00 C ATOM 512 OE1 GLN A 38 -32.847 5.111 33.024 1.00 0.00 O ATOM 513 NE2 GLN A 38 -32.073 7.169 33.008 1.00 0.00 N ATOM 0 HA GLN A 38 -29.329 3.436 30.810 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -31.336 3.339 32.301 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -30.338 3.748 33.682 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -29.767 5.930 32.714 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -30.533 5.512 31.193 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -31.303 7.811 32.820 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -32.962 7.526 33.359 1.00 0.00 H new ATOM 522 N VAL A 39 -27.596 3.892 33.595 1.00 0.00 N ATOM 523 CA VAL A 39 -26.419 4.563 34.136 1.00 0.00 C ATOM 524 C VAL A 39 -25.147 3.998 33.521 1.00 0.00 C ATOM 525 O VAL A 39 -24.125 4.679 33.450 1.00 0.00 O ATOM 526 CB VAL A 39 -26.372 4.400 35.655 1.00 0.00 C ATOM 527 CG1 VAL A 39 -27.565 5.121 36.284 1.00 0.00 C ATOM 528 CG2 VAL A 39 -26.437 2.914 36.004 1.00 0.00 C ATOM 0 H VAL A 39 -28.085 3.290 34.257 1.00 0.00 H new ATOM 0 HA VAL A 39 -26.487 5.622 33.889 1.00 0.00 H new ATOM 0 HB VAL A 39 -25.446 4.828 36.039 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -27.531 5.004 37.367 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -27.524 6.181 36.032 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -28.492 4.693 35.902 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -26.404 2.793 37.087 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -27.365 2.490 35.620 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -25.589 2.397 35.555 1.00 0.00 H new ATOM 538 N ASP A 40 -25.215 2.748 33.078 1.00 0.00 N ATOM 539 CA ASP A 40 -24.061 2.094 32.468 1.00 0.00 C ATOM 540 C ASP A 40 -23.654 2.810 31.184 1.00 0.00 C ATOM 541 O ASP A 40 -22.473 2.871 30.843 1.00 0.00 O ATOM 542 CB ASP A 40 -24.389 0.633 32.160 1.00 0.00 C ATOM 543 CG ASP A 40 -23.143 -0.086 31.652 1.00 0.00 C ATOM 544 OD1 ASP A 40 -22.147 0.584 31.433 1.00 0.00 O ATOM 545 OD2 ASP A 40 -23.203 -1.293 31.494 1.00 0.00 O ATOM 0 H ASP A 40 -26.053 2.168 33.129 1.00 0.00 H new ATOM 0 HA ASP A 40 -23.230 2.137 33.172 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -24.764 0.139 33.057 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -25.180 0.579 31.412 1.00 0.00 H new ATOM 550 N GLU A 41 -24.641 3.341 30.472 1.00 0.00 N ATOM 551 CA GLU A 41 -24.377 4.046 29.222 1.00 0.00 C ATOM 552 C GLU A 41 -23.302 5.110 29.422 1.00 0.00 C ATOM 553 O GLU A 41 -22.674 5.562 28.465 1.00 0.00 O ATOM 554 CB GLU A 41 -25.663 4.703 28.711 1.00 0.00 C ATOM 555 CG GLU A 41 -25.401 5.347 27.348 1.00 0.00 C ATOM 556 CD GLU A 41 -26.699 5.900 26.774 1.00 0.00 C ATOM 557 OE1 GLU A 41 -27.663 5.987 27.516 1.00 0.00 O ATOM 558 OE2 GLU A 41 -26.710 6.230 25.599 1.00 0.00 O ATOM 0 H GLU A 41 -25.625 3.298 30.736 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.022 3.323 28.487 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.455 3.959 28.627 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.006 5.456 29.421 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.669 6.148 27.450 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.976 4.612 26.665 1.00 0.00 H new ATOM 565 N VAL A 42 -23.094 5.507 30.672 1.00 0.00 N ATOM 566 CA VAL A 42 -22.096 6.523 30.979 1.00 0.00 C ATOM 567 C VAL A 42 -20.721 6.089 30.479 1.00 0.00 C ATOM 568 O VAL A 42 -19.876 6.926 30.167 1.00 0.00 O ATOM 569 CB VAL A 42 -22.037 6.751 32.493 1.00 0.00 C ATOM 570 CG1 VAL A 42 -21.472 5.504 33.185 1.00 0.00 C ATOM 571 CG2 VAL A 42 -21.137 7.954 32.792 1.00 0.00 C ATOM 0 H VAL A 42 -23.598 5.145 31.482 1.00 0.00 H new ATOM 0 HA VAL A 42 -22.379 7.449 30.479 1.00 0.00 H new ATOM 0 HB VAL A 42 -23.042 6.944 32.868 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.432 5.672 34.261 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.114 4.649 32.974 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.468 5.304 32.812 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -21.094 8.118 33.869 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -20.133 7.760 32.414 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -21.543 8.841 32.306 1.00 0.00 H new ATOM 581 N VAL A 43 -20.505 4.781 30.403 1.00 0.00 N ATOM 582 CA VAL A 43 -19.223 4.257 29.944 1.00 0.00 C ATOM 583 C VAL A 43 -18.930 4.723 28.523 1.00 0.00 C ATOM 584 O VAL A 43 -17.820 5.151 28.211 1.00 0.00 O ATOM 585 CB VAL A 43 -19.251 2.728 29.976 1.00 0.00 C ATOM 586 CG1 VAL A 43 -20.188 2.190 28.892 1.00 0.00 C ATOM 587 CG2 VAL A 43 -17.835 2.187 29.751 1.00 0.00 C ATOM 0 H VAL A 43 -21.193 4.070 30.650 1.00 0.00 H new ATOM 0 HA VAL A 43 -18.441 4.628 30.606 1.00 0.00 H new ATOM 0 HB VAL A 43 -19.618 2.400 30.949 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -20.197 1.101 28.927 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -21.196 2.567 29.063 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -19.838 2.518 27.913 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.854 1.097 29.774 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.467 2.523 28.782 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -17.176 2.555 30.537 1.00 0.00 H new ATOM 597 N ASP A 44 -19.938 4.633 27.671 1.00 0.00 N ATOM 598 CA ASP A 44 -19.789 5.045 26.276 1.00 0.00 C ATOM 599 C ASP A 44 -19.458 6.534 26.193 1.00 0.00 C ATOM 600 O ASP A 44 -18.692 6.963 25.332 1.00 0.00 O ATOM 601 CB ASP A 44 -21.075 4.763 25.494 1.00 0.00 C ATOM 602 CG ASP A 44 -20.927 5.243 24.052 1.00 0.00 C ATOM 603 OD1 ASP A 44 -19.815 5.568 23.666 1.00 0.00 O ATOM 604 OD2 ASP A 44 -21.928 5.279 23.354 1.00 0.00 O ATOM 0 H ASP A 44 -20.864 4.281 27.914 1.00 0.00 H new ATOM 0 HA ASP A 44 -18.972 4.472 25.838 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -21.293 3.695 25.510 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -21.917 5.267 25.969 1.00 0.00 H new ATOM 609 N ILE A 45 -20.047 7.314 27.089 1.00 0.00 N ATOM 610 CA ILE A 45 -19.811 8.755 27.112 1.00 0.00 C ATOM 611 C ILE A 45 -18.345 9.053 27.392 1.00 0.00 C ATOM 612 O ILE A 45 -17.750 9.928 26.768 1.00 0.00 O ATOM 613 CB ILE A 45 -20.686 9.412 28.182 1.00 0.00 C ATOM 614 CG1 ILE A 45 -22.146 8.980 27.987 1.00 0.00 C ATOM 615 CG2 ILE A 45 -20.586 10.933 28.069 1.00 0.00 C ATOM 616 CD1 ILE A 45 -22.608 9.279 26.550 1.00 0.00 C ATOM 0 H ILE A 45 -20.689 6.978 27.807 1.00 0.00 H new ATOM 0 HA ILE A 45 -20.070 9.162 26.135 1.00 0.00 H new ATOM 0 HB ILE A 45 -20.342 9.100 29.168 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -22.247 7.915 28.194 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -22.785 9.505 28.697 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -21.211 11.396 28.833 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -19.550 11.241 28.211 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -20.926 11.248 27.082 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -23.645 8.967 26.429 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -22.526 10.349 26.357 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -21.980 8.734 25.845 1.00 0.00 H new ATOM 628 N MET A 46 -17.774 8.329 28.347 1.00 0.00 N ATOM 629 CA MET A 46 -16.376 8.524 28.701 1.00 0.00 C ATOM 630 C MET A 46 -15.470 8.221 27.514 1.00 0.00 C ATOM 631 O MET A 46 -14.480 8.913 27.284 1.00 0.00 O ATOM 632 CB MET A 46 -16.005 7.619 29.877 1.00 0.00 C ATOM 633 CG MET A 46 -16.851 7.991 31.096 1.00 0.00 C ATOM 634 SD MET A 46 -16.400 9.648 31.672 1.00 0.00 S ATOM 635 CE MET A 46 -14.979 9.171 32.689 1.00 0.00 C ATOM 0 H MET A 46 -18.254 7.608 28.885 1.00 0.00 H new ATOM 0 HA MET A 46 -16.237 9.567 28.987 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.170 6.575 29.612 1.00 0.00 H new ATOM 0 HB3 MET A 46 -14.946 7.725 30.111 1.00 0.00 H new ATOM 0 HG2 MET A 46 -17.910 7.961 30.838 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.696 7.264 31.893 1.00 0.00 H new ATOM 0 HE1 MET A 46 -14.620 10.039 33.243 1.00 0.00 H new ATOM 0 HE2 MET A 46 -15.278 8.392 33.390 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.182 8.795 32.047 1.00 0.00 H new ATOM 645 N ARG A 47 -15.816 7.182 26.762 1.00 0.00 N ATOM 646 CA ARG A 47 -15.020 6.795 25.602 1.00 0.00 C ATOM 647 C ARG A 47 -14.978 7.926 24.580 1.00 0.00 C ATOM 648 O ARG A 47 -13.936 8.202 23.986 1.00 0.00 O ATOM 649 CB ARG A 47 -15.619 5.545 24.954 1.00 0.00 C ATOM 650 CG ARG A 47 -15.376 4.333 25.858 1.00 0.00 C ATOM 651 CD ARG A 47 -16.039 3.099 25.243 1.00 0.00 C ATOM 652 NE ARG A 47 -15.407 2.771 23.969 1.00 0.00 N ATOM 653 CZ ARG A 47 -15.920 1.846 23.166 1.00 0.00 C ATOM 654 NH1 ARG A 47 -17.007 1.212 23.512 1.00 0.00 N ATOM 655 NH2 ARG A 47 -15.336 1.569 22.030 1.00 0.00 N ATOM 0 H ARG A 47 -16.634 6.597 26.932 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.004 6.583 25.936 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -16.688 5.683 24.793 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.168 5.378 23.976 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.306 4.163 25.977 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.782 4.520 26.852 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.957 2.254 25.927 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.102 3.285 25.093 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.557 3.261 23.691 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.462 1.427 24.399 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.401 0.502 22.895 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.486 2.063 21.760 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.731 0.858 21.414 1.00 0.00 H new ATOM 669 N VAL A 48 -16.119 8.579 24.379 1.00 0.00 N ATOM 670 CA VAL A 48 -16.201 9.678 23.429 1.00 0.00 C ATOM 671 C VAL A 48 -15.314 10.837 23.873 1.00 0.00 C ATOM 672 O VAL A 48 -14.622 11.448 23.060 1.00 0.00 O ATOM 673 CB VAL A 48 -17.652 10.153 23.299 1.00 0.00 C ATOM 674 CG1 VAL A 48 -17.716 11.373 22.375 1.00 0.00 C ATOM 675 CG2 VAL A 48 -18.505 9.026 22.709 1.00 0.00 C ATOM 0 H VAL A 48 -16.993 8.366 24.859 1.00 0.00 H new ATOM 0 HA VAL A 48 -15.852 9.323 22.459 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.032 10.425 24.284 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.749 11.708 22.285 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.109 12.177 22.791 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -17.335 11.104 21.390 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -19.538 9.362 22.616 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.121 8.756 21.725 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -18.464 8.157 23.366 1.00 0.00 H new ATOM 685 N ASN A 49 -15.346 11.140 25.167 1.00 0.00 N ATOM 686 CA ASN A 49 -14.544 12.233 25.704 1.00 0.00 C ATOM 687 C ASN A 49 -13.064 11.983 25.438 1.00 0.00 C ATOM 688 O ASN A 49 -12.321 12.901 25.090 1.00 0.00 O ATOM 689 CB ASN A 49 -14.786 12.363 27.210 1.00 0.00 C ATOM 690 CG ASN A 49 -13.929 13.488 27.777 1.00 0.00 C ATOM 691 OD1 ASN A 49 -13.516 14.385 27.042 1.00 0.00 O ATOM 692 ND2 ASN A 49 -13.638 13.496 29.049 1.00 0.00 N ATOM 0 H ASN A 49 -15.913 10.649 25.858 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.838 13.160 25.211 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.840 12.565 27.402 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.545 11.424 27.708 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.067 14.247 29.437 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -13.982 12.751 29.655 1.00 0.00 H new ATOM 699 N VAL A 50 -12.646 10.733 25.593 1.00 0.00 N ATOM 700 CA VAL A 50 -11.256 10.365 25.358 1.00 0.00 C ATOM 701 C VAL A 50 -10.881 10.582 23.900 1.00 0.00 C ATOM 702 O VAL A 50 -9.778 11.029 23.588 1.00 0.00 O ATOM 703 CB VAL A 50 -11.020 8.901 25.742 1.00 0.00 C ATOM 704 CG1 VAL A 50 -9.588 8.497 25.379 1.00 0.00 C ATOM 705 CG2 VAL A 50 -11.229 8.726 27.248 1.00 0.00 C ATOM 0 H VAL A 50 -13.247 9.960 25.879 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.627 11.002 25.979 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.724 8.270 25.200 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.423 7.455 25.653 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.437 8.618 24.306 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.884 9.130 25.919 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.061 7.684 27.520 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.527 9.360 27.789 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.249 9.009 27.509 1.00 0.00 H new ATOM 715 N ASP A 51 -11.800 10.249 23.018 1.00 0.00 N ATOM 716 CA ASP A 51 -11.564 10.396 21.584 1.00 0.00 C ATOM 717 C ASP A 51 -11.277 11.852 21.231 1.00 0.00 C ATOM 718 O ASP A 51 -10.425 12.137 20.392 1.00 0.00 O ATOM 719 CB ASP A 51 -12.780 9.907 20.791 1.00 0.00 C ATOM 720 CG ASP A 51 -12.869 8.387 20.854 1.00 0.00 C ATOM 721 OD1 ASP A 51 -11.920 7.775 21.316 1.00 0.00 O ATOM 722 OD2 ASP A 51 -13.887 7.855 20.442 1.00 0.00 O ATOM 0 H ASP A 51 -12.717 9.875 23.261 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.696 9.791 21.321 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.690 10.350 21.196 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.702 10.232 19.753 1.00 0.00 H new ATOM 727 N LYS A 52 -11.985 12.767 21.881 1.00 0.00 N ATOM 728 CA LYS A 52 -11.795 14.191 21.638 1.00 0.00 C ATOM 729 C LYS A 52 -10.392 14.618 22.049 1.00 0.00 C ATOM 730 O LYS A 52 -9.788 15.492 21.426 1.00 0.00 O ATOM 731 CB LYS A 52 -12.835 14.998 22.413 1.00 0.00 C ATOM 732 CG LYS A 52 -14.217 14.782 21.794 1.00 0.00 C ATOM 733 CD LYS A 52 -15.257 15.585 22.578 1.00 0.00 C ATOM 734 CE LYS A 52 -16.634 15.400 21.938 1.00 0.00 C ATOM 735 NZ LYS A 52 -17.648 16.177 22.708 1.00 0.00 N ATOM 0 H LYS A 52 -12.695 12.549 22.580 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.919 14.381 20.572 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.842 14.692 23.459 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.578 16.057 22.392 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.212 15.094 20.750 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.473 13.723 21.809 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.280 15.255 23.616 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.987 16.641 22.585 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.613 15.736 20.901 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.902 14.344 21.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.585 16.052 22.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.674 15.836 23.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.394 17.185 22.698 1.00 0.00 H new ATOM 1144 N THR A 79 9.478 5.672 4.601 1.00 0.00 N ATOM 1145 CA THR A 79 9.287 4.586 3.648 1.00 0.00 C ATOM 1146 C THR A 79 8.258 4.974 2.592 1.00 0.00 C ATOM 1147 O THR A 79 8.438 4.695 1.406 1.00 0.00 O ATOM 1148 CB THR A 79 8.816 3.327 4.380 1.00 0.00 C ATOM 1149 OG1 THR A 79 7.698 3.645 5.197 1.00 0.00 O ATOM 1150 CG2 THR A 79 9.951 2.786 5.251 1.00 0.00 C ATOM 0 HA THR A 79 10.239 4.388 3.156 1.00 0.00 H new ATOM 0 HB THR A 79 8.528 2.569 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.811 4.544 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.614 1.890 5.772 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.807 2.541 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.242 3.542 5.981 1.00 0.00 H new ATOM 1158 N SER A 80 7.183 5.621 3.027 1.00 0.00 N ATOM 1159 CA SER A 80 6.133 6.043 2.107 1.00 0.00 C ATOM 1160 C SER A 80 6.687 7.012 1.072 1.00 0.00 C ATOM 1161 O SER A 80 6.384 6.902 -0.115 1.00 0.00 O ATOM 1162 CB SER A 80 4.997 6.714 2.882 1.00 0.00 C ATOM 1163 OG SER A 80 4.159 7.414 1.971 1.00 0.00 O ATOM 0 H SER A 80 7.016 5.864 4.004 1.00 0.00 H new ATOM 0 HA SER A 80 5.750 5.161 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.419 5.966 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.403 7.402 3.623 1.00 0.00 H new ATOM 0 HG SER A 80 3.429 7.844 2.463 1.00 0.00 H new ATOM 1169 N ALA A 81 7.501 7.960 1.527 1.00 0.00 N ATOM 1170 CA ALA A 81 8.091 8.945 0.626 1.00 0.00 C ATOM 1171 C ALA A 81 9.016 8.271 -0.380 1.00 0.00 C ATOM 1172 O ALA A 81 9.073 8.662 -1.546 1.00 0.00 O ATOM 1173 CB ALA A 81 8.879 9.980 1.432 1.00 0.00 C ATOM 0 H ALA A 81 7.766 8.067 2.506 1.00 0.00 H new ATOM 0 HA ALA A 81 7.286 9.440 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.317 10.712 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.210 10.485 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.672 9.481 1.988 1.00 0.00 H new ATOM 1179 N ALA A 82 9.739 7.254 0.076 1.00 0.00 N ATOM 1180 CA ALA A 82 10.660 6.531 -0.794 1.00 0.00 C ATOM 1181 C ALA A 82 9.907 5.914 -1.968 1.00 0.00 C ATOM 1182 O ALA A 82 10.448 5.794 -3.068 1.00 0.00 O ATOM 1183 CB ALA A 82 11.373 5.431 -0.004 1.00 0.00 C ATOM 0 H ALA A 82 9.706 6.913 1.037 1.00 0.00 H new ATOM 0 HA ALA A 82 11.399 7.234 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.058 4.897 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.933 5.878 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.636 4.734 0.396 1.00 0.00 H new ATOM 1189 N LYS A 83 8.661 5.520 -1.729 1.00 0.00 N ATOM 1190 CA LYS A 83 7.848 4.915 -2.773 1.00 0.00 C ATOM 1191 C LYS A 83 7.642 5.893 -3.926 1.00 0.00 C ATOM 1192 O LYS A 83 7.763 5.525 -5.094 1.00 0.00 O ATOM 1193 CB LYS A 83 6.490 4.499 -2.203 1.00 0.00 C ATOM 1194 CG LYS A 83 5.691 3.754 -3.273 1.00 0.00 C ATOM 1195 CD LYS A 83 4.363 3.279 -2.680 1.00 0.00 C ATOM 1196 CE LYS A 83 3.574 2.512 -3.743 1.00 0.00 C ATOM 1197 NZ LYS A 83 2.290 2.031 -3.160 1.00 0.00 N ATOM 0 H LYS A 83 8.195 5.609 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 83 8.368 4.034 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.631 3.862 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.939 5.379 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.508 4.408 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.262 2.902 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.546 2.640 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.784 4.133 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.378 3.156 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.159 1.667 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.754 1.510 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.488 1.402 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.730 2.845 -2.834 1.00 0.00 H new ATOM 1211 N LEU A 84 7.325 7.138 -3.589 1.00 0.00 N ATOM 1212 CA LEU A 84 7.101 8.161 -4.606 1.00 0.00 C ATOM 1213 C LEU A 84 8.376 8.403 -5.406 1.00 0.00 C ATOM 1214 O LEU A 84 8.337 8.545 -6.628 1.00 0.00 O ATOM 1215 CB LEU A 84 6.647 9.468 -3.940 1.00 0.00 C ATOM 1216 CG LEU A 84 5.153 9.392 -3.616 1.00 0.00 C ATOM 1217 CD1 LEU A 84 4.896 8.223 -2.664 1.00 0.00 C ATOM 1218 CD2 LEU A 84 4.712 10.698 -2.952 1.00 0.00 C ATOM 0 H LEU A 84 7.218 7.463 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 84 6.322 7.814 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.218 9.640 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.843 10.312 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 84 4.587 9.241 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.832 8.169 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.213 7.293 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.460 8.373 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.648 10.647 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.277 10.847 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.896 11.531 -3.630 1.00 0.00 H new ATOM 1230 N LYS A 85 9.503 8.456 -4.708 1.00 0.00 N ATOM 1231 CA LYS A 85 10.781 8.685 -5.368 1.00 0.00 C ATOM 1232 C LYS A 85 11.097 7.554 -6.338 1.00 0.00 C ATOM 1233 O LYS A 85 11.549 7.791 -7.457 1.00 0.00 O ATOM 1234 CB LYS A 85 11.891 8.789 -4.323 1.00 0.00 C ATOM 1235 CG LYS A 85 13.123 9.456 -4.946 1.00 0.00 C ATOM 1236 CD LYS A 85 14.213 9.641 -3.883 1.00 0.00 C ATOM 1237 CE LYS A 85 13.867 10.821 -2.963 1.00 0.00 C ATOM 1238 NZ LYS A 85 15.060 11.188 -2.161 1.00 0.00 N ATOM 0 H LYS A 85 9.559 8.345 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 85 10.718 9.618 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.545 9.368 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.150 7.797 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.502 8.845 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.849 10.422 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.314 8.730 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.174 9.817 -4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.538 11.674 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.041 10.553 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.827 11.987 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.355 10.374 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.836 11.461 -2.798 1.00 0.00 H new ATOM 1252 N ARG A 86 10.860 6.324 -5.895 1.00 0.00 N ATOM 1253 CA ARG A 86 11.123 5.162 -6.728 1.00 0.00 C ATOM 1254 C ARG A 86 10.214 5.163 -7.948 1.00 0.00 C ATOM 1255 O ARG A 86 10.633 4.815 -9.046 1.00 0.00 O ATOM 1256 CB ARG A 86 10.906 3.878 -5.923 1.00 0.00 C ATOM 1257 CG ARG A 86 12.030 3.720 -4.896 1.00 0.00 C ATOM 1258 CD ARG A 86 11.749 2.501 -4.016 1.00 0.00 C ATOM 1259 NE ARG A 86 11.771 1.283 -4.817 1.00 0.00 N ATOM 1260 CZ ARG A 86 11.456 0.105 -4.286 1.00 0.00 C ATOM 1261 NH1 ARG A 86 11.121 0.027 -3.026 1.00 0.00 N ATOM 1262 NH2 ARG A 86 11.483 -0.971 -5.023 1.00 0.00 N ATOM 0 H ARG A 86 10.489 6.109 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 86 12.159 5.206 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.941 3.912 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.886 3.017 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.987 3.602 -5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.104 4.617 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.494 2.437 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.778 2.609 -3.533 1.00 0.00 H new ATOM 0 HE ARG A 86 12.032 1.335 -5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.101 0.869 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.879 -0.876 -2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.746 -0.909 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.241 -1.874 -4.616 1.00 0.00 H new ATOM 1403 N LEU A 93 20.526 1.454 -11.690 1.00 0.00 N ATOM 1404 CA LEU A 93 21.608 1.077 -10.786 1.00 0.00 C ATOM 1405 C LEU A 93 21.204 -0.130 -9.949 1.00 0.00 C ATOM 1406 O LEU A 93 22.008 -1.032 -9.720 1.00 0.00 O ATOM 1407 CB LEU A 93 21.952 2.248 -9.864 1.00 0.00 C ATOM 1408 CG LEU A 93 22.206 3.504 -10.705 1.00 0.00 C ATOM 1409 CD1 LEU A 93 22.513 4.684 -9.777 1.00 0.00 C ATOM 1410 CD2 LEU A 93 23.398 3.267 -11.649 1.00 0.00 C ATOM 0 HA LEU A 93 22.483 0.818 -11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 93 21.136 2.425 -9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 93 22.835 2.010 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 93 21.319 3.727 -11.298 1.00 0.00 H new ATOM 0 HD11 LEU A 93 22.694 5.578 -10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 93 21.665 4.855 -9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 93 23.399 4.459 -9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.574 4.163 -12.244 1.00 0.00 H new ATOM 0 HD22 LEU A 93 24.288 3.041 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 93 23.177 2.429 -12.310 1.00 0.00 H new ATOM 1422 N LYS A 94 19.956 -0.139 -9.494 1.00 0.00 N ATOM 1423 CA LYS A 94 19.457 -1.241 -8.680 1.00 0.00 C ATOM 1424 C LYS A 94 19.495 -2.548 -9.466 1.00 0.00 C ATOM 1425 O LYS A 94 19.843 -3.599 -8.926 1.00 0.00 O ATOM 1426 CB LYS A 94 18.024 -0.953 -8.236 1.00 0.00 C ATOM 1427 CG LYS A 94 18.017 0.223 -7.258 1.00 0.00 C ATOM 1428 CD LYS A 94 16.583 0.514 -6.816 1.00 0.00 C ATOM 1429 CE LYS A 94 16.583 1.651 -5.790 1.00 0.00 C ATOM 1430 NZ LYS A 94 16.784 2.951 -6.491 1.00 0.00 N ATOM 0 H LYS A 94 19.275 0.599 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 94 20.097 -1.339 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.403 -0.723 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.595 -1.836 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.636 -0.008 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.448 1.105 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.975 0.788 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.137 -0.381 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.640 1.662 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.375 1.494 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.700 3.731 -5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.730 2.970 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.063 3.061 -7.232 1.00 0.00 H new ATOM 1444 N MET A 95 19.136 -2.477 -10.741 1.00 0.00 N ATOM 1445 CA MET A 95 19.131 -3.659 -11.594 1.00 0.00 C ATOM 1446 C MET A 95 20.543 -4.216 -11.741 1.00 0.00 C ATOM 1447 O MET A 95 20.736 -5.429 -11.815 1.00 0.00 O ATOM 1448 CB MET A 95 18.571 -3.306 -12.973 1.00 0.00 C ATOM 1449 CG MET A 95 17.113 -2.866 -12.838 1.00 0.00 C ATOM 1450 SD MET A 95 16.098 -4.271 -12.303 1.00 0.00 S ATOM 1451 CE MET A 95 14.755 -4.069 -13.498 1.00 0.00 C ATOM 0 H MET A 95 18.845 -1.617 -11.206 1.00 0.00 H new ATOM 0 HA MET A 95 18.499 -4.417 -11.131 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.162 -2.508 -13.423 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.641 -4.168 -13.637 1.00 0.00 H new ATOM 0 HG2 MET A 95 17.034 -2.052 -12.117 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.749 -2.484 -13.791 1.00 0.00 H new ATOM 0 HE1 MET A 95 14.008 -4.847 -13.341 1.00 0.00 H new ATOM 0 HE2 MET A 95 14.294 -3.091 -13.365 1.00 0.00 H new ATOM 0 HE3 MET A 95 15.153 -4.148 -14.510 1.00 0.00 H new ATOM 1461 N MET A 96 21.523 -3.322 -11.795 1.00 0.00 N ATOM 1462 CA MET A 96 22.910 -3.740 -11.946 1.00 0.00 C ATOM 1463 C MET A 96 23.321 -4.643 -10.784 1.00 0.00 C ATOM 1464 O MET A 96 24.047 -5.618 -10.973 1.00 0.00 O ATOM 1465 CB MET A 96 23.827 -2.512 -11.990 1.00 0.00 C ATOM 1466 CG MET A 96 25.267 -2.945 -12.290 1.00 0.00 C ATOM 1467 SD MET A 96 25.356 -3.613 -13.971 1.00 0.00 S ATOM 1468 CE MET A 96 25.840 -2.079 -14.802 1.00 0.00 C ATOM 0 H MET A 96 21.385 -2.313 -11.737 1.00 0.00 H new ATOM 0 HA MET A 96 23.005 -4.295 -12.879 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.481 -1.816 -12.754 1.00 0.00 H new ATOM 0 HB3 MET A 96 23.788 -1.984 -11.037 1.00 0.00 H new ATOM 0 HG2 MET A 96 25.943 -2.096 -12.188 1.00 0.00 H new ATOM 0 HG3 MET A 96 25.590 -3.697 -11.570 1.00 0.00 H new ATOM 0 HE1 MET A 96 25.953 -2.264 -15.870 1.00 0.00 H new ATOM 0 HE2 MET A 96 25.072 -1.322 -14.644 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.787 -1.726 -14.393 1.00 0.00 H new ATOM 1478 N ILE A 97 22.859 -4.308 -9.586 1.00 0.00 N ATOM 1479 CA ILE A 97 23.193 -5.095 -8.405 1.00 0.00 C ATOM 1480 C ILE A 97 22.651 -6.511 -8.540 1.00 0.00 C ATOM 1481 O ILE A 97 23.341 -7.479 -8.220 1.00 0.00 O ATOM 1482 CB ILE A 97 22.605 -4.433 -7.154 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.028 -2.959 -7.109 1.00 0.00 C ATOM 1484 CG2 ILE A 97 23.113 -5.149 -5.902 1.00 0.00 C ATOM 1485 CD1 ILE A 97 24.558 -2.835 -7.206 1.00 0.00 C ATOM 0 H ILE A 97 22.257 -3.504 -9.407 1.00 0.00 H new ATOM 0 HA ILE A 97 24.278 -5.141 -8.313 1.00 0.00 H new ATOM 0 HB ILE A 97 21.518 -4.499 -7.189 1.00 0.00 H new ATOM 0 HG12 ILE A 97 22.560 -2.415 -7.930 1.00 0.00 H new ATOM 0 HG13 ILE A 97 22.678 -2.502 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.692 -4.675 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.809 -6.195 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.201 -5.088 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 97 24.841 -1.783 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 97 25.019 -3.361 -6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 97 24.900 -3.273 -8.144 1.00 0.00 H new ATOM 1497 N ILE A 98 21.420 -6.625 -9.009 1.00 0.00 N ATOM 1498 CA ILE A 98 20.796 -7.932 -9.180 1.00 0.00 C ATOM 1499 C ILE A 98 21.553 -8.751 -10.215 1.00 0.00 C ATOM 1500 O ILE A 98 21.795 -9.941 -10.025 1.00 0.00 O ATOM 1501 CB ILE A 98 19.342 -7.762 -9.622 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.621 -6.805 -8.661 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.637 -9.119 -9.615 1.00 0.00 C ATOM 1504 CD1 ILE A 98 18.765 -7.294 -7.210 1.00 0.00 C ATOM 0 H ILE A 98 20.833 -5.835 -9.278 1.00 0.00 H new ATOM 0 HA ILE A 98 20.824 -8.458 -8.225 1.00 0.00 H new ATOM 0 HB ILE A 98 19.320 -7.350 -10.631 1.00 0.00 H new ATOM 0 HG12 ILE A 98 19.037 -5.802 -8.756 1.00 0.00 H new ATOM 0 HG13 ILE A 98 17.566 -6.739 -8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.601 -8.993 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.145 -9.797 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.661 -9.536 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 98 18.249 -6.605 -6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 98 18.327 -8.288 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 98 19.821 -7.336 -6.943 1.00 0.00 H new ATOM 1516 N LEU A 99 21.917 -8.112 -11.314 1.00 0.00 N ATOM 1517 CA LEU A 99 22.635 -8.799 -12.374 1.00 0.00 C ATOM 1518 C LEU A 99 23.971 -9.326 -11.864 1.00 0.00 C ATOM 1519 O LEU A 99 24.398 -10.422 -12.229 1.00 0.00 O ATOM 1520 CB LEU A 99 22.872 -7.850 -13.552 1.00 0.00 C ATOM 1521 CG LEU A 99 23.574 -8.599 -14.698 1.00 0.00 C ATOM 1522 CD1 LEU A 99 22.682 -9.751 -15.204 1.00 0.00 C ATOM 1523 CD2 LEU A 99 23.859 -7.621 -15.840 1.00 0.00 C ATOM 0 H LEU A 99 21.729 -7.126 -11.495 1.00 0.00 H new ATOM 0 HA LEU A 99 22.029 -9.642 -12.707 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.922 -7.444 -13.900 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.481 -7.005 -13.232 1.00 0.00 H new ATOM 0 HG LEU A 99 24.512 -9.018 -14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 99 23.189 -10.274 -16.015 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.489 -10.447 -14.388 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.737 -9.347 -15.567 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.357 -8.148 -16.654 1.00 0.00 H new ATOM 0 HD22 LEU A 99 22.921 -7.199 -16.200 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.503 -6.819 -15.480 1.00 0.00 H new ATOM 1535 N GLY A 100 24.636 -8.534 -11.036 1.00 0.00 N ATOM 1536 CA GLY A 100 25.930 -8.925 -10.498 1.00 0.00 C ATOM 1537 C GLY A 100 25.822 -10.219 -9.699 1.00 0.00 C ATOM 1538 O GLY A 100 26.753 -11.023 -9.673 1.00 0.00 O ATOM 0 H GLY A 100 24.303 -7.622 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.642 -9.055 -11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.317 -8.131 -9.860 1.00 0.00 H new ATOM 1542 N VAL A 101 24.685 -10.415 -9.044 1.00 0.00 N ATOM 1543 CA VAL A 101 24.480 -11.616 -8.247 1.00 0.00 C ATOM 1544 C VAL A 101 24.540 -12.862 -9.127 1.00 0.00 C ATOM 1545 O VAL A 101 25.225 -13.837 -8.801 1.00 0.00 O ATOM 1546 CB VAL A 101 23.117 -11.552 -7.552 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.851 -12.859 -6.807 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.103 -10.384 -6.562 1.00 0.00 C ATOM 0 H VAL A 101 23.899 -9.765 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 101 25.272 -11.672 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 101 22.339 -11.404 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.880 -12.806 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.855 -13.688 -7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.628 -13.016 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.133 -10.338 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.884 -10.530 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.282 -9.451 -7.097 1.00 0.00 H new ATOM 1558 N ILE A 102 23.830 -12.826 -10.246 1.00 0.00 N ATOM 1559 CA ILE A 102 23.811 -13.967 -11.152 1.00 0.00 C ATOM 1560 C ILE A 102 25.206 -14.234 -11.700 1.00 0.00 C ATOM 1561 O ILE A 102 25.659 -15.377 -11.741 1.00 0.00 O ATOM 1562 CB ILE A 102 22.828 -13.701 -12.310 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.390 -13.955 -11.833 1.00 0.00 C ATOM 1564 CG2 ILE A 102 23.138 -14.631 -13.495 1.00 0.00 C ATOM 1565 CD1 ILE A 102 21.122 -13.162 -10.554 1.00 0.00 C ATOM 0 H ILE A 102 23.266 -12.031 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 102 23.482 -14.847 -10.600 1.00 0.00 H new ATOM 0 HB ILE A 102 22.935 -12.664 -12.630 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.683 -13.662 -12.609 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.240 -15.019 -11.650 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.437 -14.433 -14.306 1.00 0.00 H new ATOM 0 HG22 ILE A 102 24.155 -14.451 -13.843 1.00 0.00 H new ATOM 0 HG23 ILE A 102 23.042 -15.669 -13.178 1.00 0.00 H new ATOM 0 HD11 ILE A 102 20.101 -13.345 -10.219 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.820 -13.476 -9.778 1.00 0.00 H new ATOM 0 HD13 ILE A 102 21.254 -12.098 -10.751 1.00 0.00 H new ATOM 1577 N CYS A 103 25.874 -13.180 -12.119 1.00 0.00 N ATOM 1578 CA CYS A 103 27.217 -13.310 -12.669 1.00 0.00 C ATOM 1579 C CYS A 103 28.166 -13.901 -11.632 1.00 0.00 C ATOM 1580 O CYS A 103 29.129 -14.590 -11.973 1.00 0.00 O ATOM 1581 CB CYS A 103 27.728 -11.936 -13.134 1.00 0.00 C ATOM 1582 SG CYS A 103 28.470 -11.031 -11.750 1.00 0.00 S ATOM 0 H CYS A 103 25.516 -12.225 -12.092 1.00 0.00 H new ATOM 0 HA CYS A 103 27.180 -13.984 -13.525 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.464 -12.065 -13.928 1.00 0.00 H new ATOM 0 HB3 CYS A 103 26.904 -11.358 -13.554 1.00 0.00 H new ATOM 0 HG CYS A 103 27.735 -11.183 -10.688 1.00 0.00 H new ATOM 1588 N ALA A 104 27.888 -13.610 -10.371 1.00 0.00 N ATOM 1589 CA ALA A 104 28.720 -14.100 -9.283 1.00 0.00 C ATOM 1590 C ALA A 104 28.840 -15.617 -9.347 1.00 0.00 C ATOM 1591 O ALA A 104 29.932 -16.168 -9.229 1.00 0.00 O ATOM 1592 CB ALA A 104 28.122 -13.698 -7.935 1.00 0.00 C ATOM 0 H ALA A 104 27.096 -13.039 -10.076 1.00 0.00 H new ATOM 0 HA ALA A 104 29.710 -13.656 -9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 104 28.755 -14.071 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.060 -12.611 -7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.123 -14.124 -7.838 1.00 0.00 H new ATOM 1598 N ILE A 105 27.712 -16.285 -9.541 1.00 0.00 N ATOM 1599 CA ILE A 105 27.712 -17.742 -9.619 1.00 0.00 C ATOM 1600 C ILE A 105 28.534 -18.212 -10.822 1.00 0.00 C ATOM 1601 O ILE A 105 29.307 -19.166 -10.724 1.00 0.00 O ATOM 1602 CB ILE A 105 26.266 -18.262 -9.735 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.610 -18.251 -8.351 1.00 0.00 C ATOM 1604 CG2 ILE A 105 26.258 -19.699 -10.284 1.00 0.00 C ATOM 1605 CD1 ILE A 105 25.632 -16.831 -7.783 1.00 0.00 C ATOM 0 H ILE A 105 26.795 -15.850 -9.646 1.00 0.00 H new ATOM 0 HA ILE A 105 28.164 -18.140 -8.710 1.00 0.00 H new ATOM 0 HB ILE A 105 25.713 -17.616 -10.417 1.00 0.00 H new ATOM 0 HG12 ILE A 105 24.583 -18.609 -8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 105 26.139 -18.929 -7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 105 25.230 -20.053 -10.361 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.722 -19.714 -11.270 1.00 0.00 H new ATOM 0 HG23 ILE A 105 26.817 -20.349 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 105 25.165 -16.826 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 105 26.664 -16.489 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 105 25.083 -16.164 -8.448 1.00 0.00 H new ATOM 1617 N ILE A 106 28.346 -17.552 -11.956 1.00 0.00 N ATOM 1618 CA ILE A 106 29.065 -17.921 -13.167 1.00 0.00 C ATOM 1619 C ILE A 106 30.567 -17.842 -12.933 1.00 0.00 C ATOM 1620 O ILE A 106 31.339 -18.582 -13.535 1.00 0.00 O ATOM 1621 CB ILE A 106 28.671 -16.993 -14.316 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.143 -16.904 -14.400 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.223 -17.534 -15.635 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.529 -18.309 -14.494 1.00 0.00 C ATOM 0 H ILE A 106 27.707 -16.764 -12.063 1.00 0.00 H new ATOM 0 HA ILE A 106 28.801 -18.945 -13.430 1.00 0.00 H new ATOM 0 HB ILE A 106 29.086 -16.002 -14.134 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.754 -16.388 -13.522 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.854 -16.315 -15.270 1.00 0.00 H new ATOM 0 HG21 ILE A 106 28.938 -16.868 -16.449 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.310 -17.593 -15.578 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.815 -18.528 -15.820 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.444 -18.229 -14.553 1.00 0.00 H new ATOM 0 HD12 ILE A 106 26.905 -18.811 -15.385 1.00 0.00 H new ATOM 0 HD13 ILE A 106 26.803 -18.886 -13.610 1.00 0.00 H new ATOM 1636 N LEU A 107 30.975 -16.934 -12.060 1.00 0.00 N ATOM 1637 CA LEU A 107 32.392 -16.770 -11.751 1.00 0.00 C ATOM 1638 C LEU A 107 32.838 -17.782 -10.705 1.00 0.00 C ATOM 1639 O LEU A 107 33.902 -18.386 -10.831 1.00 0.00 O ATOM 1640 CB LEU A 107 32.646 -15.355 -11.241 1.00 0.00 C ATOM 1641 CG LEU A 107 32.384 -14.346 -12.367 1.00 0.00 C ATOM 1642 CD1 LEU A 107 32.379 -12.927 -11.790 1.00 0.00 C ATOM 1643 CD2 LEU A 107 33.472 -14.458 -13.458 1.00 0.00 C ATOM 0 H LEU A 107 30.353 -16.303 -11.555 1.00 0.00 H new ATOM 0 HA LEU A 107 32.967 -16.939 -12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.998 -15.142 -10.391 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.674 -15.264 -10.889 1.00 0.00 H new ATOM 0 HG LEU A 107 31.415 -14.564 -12.816 1.00 0.00 H new ATOM 0 HD11 LEU A 107 32.193 -12.210 -12.589 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.595 -12.843 -11.037 1.00 0.00 H new ATOM 0 HD13 LEU A 107 33.346 -12.717 -11.332 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.270 -13.735 -14.249 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.449 -14.253 -13.020 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.466 -15.464 -13.876 1.00 0.00 H new ATOM 1655 N ILE A 108 32.029 -17.950 -9.671 1.00 0.00 N ATOM 1656 CA ILE A 108 32.356 -18.883 -8.600 1.00 0.00 C ATOM 1657 C ILE A 108 32.396 -20.315 -9.124 1.00 0.00 C ATOM 1658 O ILE A 108 33.295 -21.084 -8.788 1.00 0.00 O ATOM 1659 CB ILE A 108 31.321 -18.775 -7.479 1.00 0.00 C ATOM 1660 CG1 ILE A 108 31.446 -17.409 -6.800 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.565 -19.877 -6.442 1.00 0.00 C ATOM 1662 CD1 ILE A 108 30.229 -17.173 -5.901 1.00 0.00 C ATOM 0 H ILE A 108 31.145 -17.456 -9.549 1.00 0.00 H new ATOM 0 HA ILE A 108 33.341 -18.626 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 108 30.322 -18.887 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 108 32.361 -17.367 -6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 108 31.515 -16.622 -7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.826 -19.797 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.478 -20.853 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.565 -19.766 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 108 30.317 -16.200 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 108 29.321 -17.197 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 108 30.181 -17.953 -5.141 1.00 0.00 H new ATOM 1674 N ILE A 109 31.411 -20.671 -9.937 1.00 0.00 N ATOM 1675 CA ILE A 109 31.340 -22.021 -10.484 1.00 0.00 C ATOM 1676 C ILE A 109 32.547 -22.304 -11.372 1.00 0.00 C ATOM 1677 O ILE A 109 33.097 -23.405 -11.353 1.00 0.00 O ATOM 1678 CB ILE A 109 30.050 -22.188 -11.293 1.00 0.00 C ATOM 1679 CG1 ILE A 109 29.866 -23.662 -11.665 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.131 -21.347 -12.566 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.461 -23.872 -12.228 1.00 0.00 C ATOM 0 H ILE A 109 30.656 -20.051 -10.231 1.00 0.00 H new ATOM 0 HA ILE A 109 31.342 -22.731 -9.657 1.00 0.00 H new ATOM 0 HB ILE A 109 29.202 -21.856 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE A 109 30.613 -23.959 -12.401 1.00 0.00 H new ATOM 0 HG13 ILE A 109 30.016 -24.291 -10.788 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.212 -21.467 -13.140 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.259 -20.297 -12.301 1.00 0.00 H new ATOM 0 HG23 ILE A 109 30.980 -21.676 -13.166 1.00 0.00 H new ATOM 0 HD11 ILE A 109 28.328 -24.921 -12.493 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.722 -23.591 -11.477 1.00 0.00 H new ATOM 0 HD13 ILE A 109 28.329 -23.254 -13.116 1.00 0.00 H new ATOM 1693 N ILE A 110 32.951 -21.306 -12.150 1.00 0.00 N ATOM 1694 CA ILE A 110 34.094 -21.475 -13.037 1.00 0.00 C ATOM 1695 C ILE A 110 35.358 -21.748 -12.231 1.00 0.00 C ATOM 1696 O ILE A 110 36.149 -22.626 -12.574 1.00 0.00 O ATOM 1697 CB ILE A 110 34.280 -20.209 -13.890 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.126 -20.103 -14.920 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.636 -20.256 -14.616 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.468 -20.898 -16.189 1.00 0.00 C ATOM 0 H ILE A 110 32.512 -20.386 -12.185 1.00 0.00 H new ATOM 0 HA ILE A 110 33.908 -22.327 -13.691 1.00 0.00 H new ATOM 0 HB ILE A 110 34.262 -19.333 -13.242 1.00 0.00 H new ATOM 0 HG12 ILE A 110 32.203 -20.483 -14.482 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.951 -19.057 -15.174 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.758 -19.355 -15.217 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.440 -20.314 -13.882 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.672 -21.132 -15.264 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.648 -20.814 -16.903 1.00 0.00 H new ATOM 0 HD12 ILE A 110 34.379 -20.498 -16.634 1.00 0.00 H new ATOM 0 HD13 ILE A 110 33.619 -21.946 -15.932 1.00 0.00 H new ATOM 1712 N ILE A 111 35.546 -20.992 -11.166 1.00 0.00 N ATOM 1713 CA ILE A 111 36.721 -21.167 -10.327 1.00 0.00 C ATOM 1714 C ILE A 111 36.692 -22.527 -9.648 1.00 0.00 C ATOM 1715 O ILE A 111 37.705 -23.217 -9.581 1.00 0.00 O ATOM 1716 CB ILE A 111 36.782 -20.056 -9.273 1.00 0.00 C ATOM 1717 CG1 ILE A 111 37.035 -18.702 -9.963 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.910 -20.340 -8.279 1.00 0.00 C ATOM 1719 CD1 ILE A 111 38.383 -18.701 -10.718 1.00 0.00 C ATOM 0 H ILE A 111 34.908 -20.257 -10.861 1.00 0.00 H new ATOM 0 HA ILE A 111 37.609 -21.111 -10.956 1.00 0.00 H new ATOM 0 HB ILE A 111 35.833 -20.021 -8.738 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.225 -18.490 -10.660 1.00 0.00 H new ATOM 0 HG13 ILE A 111 37.032 -17.906 -9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.946 -19.546 -7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.727 -21.294 -7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.861 -20.383 -8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 111 38.533 -17.732 -11.194 1.00 0.00 H new ATOM 0 HD12 ILE A 111 39.194 -18.889 -10.015 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.375 -19.482 -11.479 1.00 0.00 H new ATOM 1731 N VAL A 112 35.527 -22.894 -9.137 1.00 0.00 N ATOM 1732 CA VAL A 112 35.373 -24.171 -8.458 1.00 0.00 C ATOM 1733 C VAL A 112 35.439 -25.320 -9.456 1.00 0.00 C ATOM 1734 O VAL A 112 35.792 -26.444 -9.101 1.00 0.00 O ATOM 1735 CB VAL A 112 34.039 -24.206 -7.710 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.835 -25.590 -7.093 1.00 0.00 C ATOM 1737 CG2 VAL A 112 34.049 -23.152 -6.600 1.00 0.00 C ATOM 0 H VAL A 112 34.679 -22.329 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 112 36.189 -24.285 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 112 33.228 -23.995 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.884 -25.614 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.828 -26.343 -7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.647 -25.801 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 112 33.099 -23.176 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.861 -23.364 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 112 34.194 -22.164 -7.037 1.00 0.00 H new ATOM 1747 N TYR A 113 35.085 -25.032 -10.704 1.00 0.00 N ATOM 1748 CA TYR A 113 35.100 -26.052 -11.744 1.00 0.00 C ATOM 1749 C TYR A 113 36.499 -26.621 -11.922 1.00 0.00 C ATOM 1750 O TYR A 113 36.684 -27.835 -12.022 1.00 0.00 O ATOM 1751 CB TYR A 113 34.603 -25.463 -13.067 1.00 0.00 C ATOM 1752 CG TYR A 113 34.708 -26.503 -14.156 1.00 0.00 C ATOM 1753 CD1 TYR A 113 33.747 -27.515 -14.254 1.00 0.00 C ATOM 1754 CD2 TYR A 113 35.773 -26.458 -15.065 1.00 0.00 C ATOM 1755 CE1 TYR A 113 33.846 -28.479 -15.264 1.00 0.00 C ATOM 1756 CE2 TYR A 113 35.873 -27.421 -16.075 1.00 0.00 C ATOM 1757 CZ TYR A 113 34.911 -28.434 -16.173 1.00 0.00 C ATOM 1758 OH TYR A 113 35.010 -29.383 -17.169 1.00 0.00 O ATOM 0 H TYR A 113 34.787 -24.108 -11.017 1.00 0.00 H new ATOM 0 HA TYR A 113 34.435 -26.860 -11.440 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.569 -25.133 -12.964 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.193 -24.585 -13.330 1.00 0.00 H new ATOM 0 HD1 TYR A 113 32.929 -27.552 -13.550 1.00 0.00 H new ATOM 0 HD2 TYR A 113 36.517 -25.679 -14.986 1.00 0.00 H new ATOM 0 HE1 TYR A 113 33.101 -29.257 -15.343 1.00 0.00 H new ATOM 0 HE2 TYR A 113 36.692 -27.383 -16.779 1.00 0.00 H new ATOM 0 HH TYR A 113 35.806 -29.205 -17.712 1.00 0.00 H new ATOM 1768 N PHE A 114 37.479 -25.739 -11.959 1.00 0.00 N ATOM 1769 CA PHE A 114 38.867 -26.155 -12.123 1.00 0.00 C ATOM 1770 C PHE A 114 39.315 -27.016 -10.948 1.00 0.00 C ATOM 1771 O PHE A 114 40.076 -27.967 -11.113 1.00 0.00 O ATOM 1772 CB PHE A 114 39.779 -24.933 -12.245 1.00 0.00 C ATOM 1773 CG PHE A 114 39.537 -24.249 -13.573 1.00 0.00 C ATOM 1774 CD1 PHE A 114 39.946 -24.867 -14.762 1.00 0.00 C ATOM 1775 CD2 PHE A 114 38.900 -23.002 -13.617 1.00 0.00 C ATOM 1776 CE1 PHE A 114 39.723 -24.237 -15.992 1.00 0.00 C ATOM 1777 CE2 PHE A 114 38.678 -22.373 -14.848 1.00 0.00 C ATOM 1778 CZ PHE A 114 39.088 -22.991 -16.036 1.00 0.00 C ATOM 0 H PHE A 114 37.345 -24.731 -11.878 1.00 0.00 H new ATOM 0 HA PHE A 114 38.937 -26.745 -13.037 1.00 0.00 H new ATOM 0 HB2 PHE A 114 39.586 -24.239 -11.427 1.00 0.00 H new ATOM 0 HB3 PHE A 114 40.823 -25.236 -12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.434 -25.830 -14.730 1.00 0.00 H new ATOM 0 HD2 PHE A 114 38.580 -22.526 -12.702 1.00 0.00 H new ATOM 0 HE1 PHE A 114 40.041 -24.713 -16.908 1.00 0.00 H new ATOM 0 HE2 PHE A 114 38.190 -21.410 -14.881 1.00 0.00 H new ATOM 0 HZ PHE A 114 38.914 -22.506 -16.985 1.00 0.00 H new ATOM 1788 N SER A 115 38.839 -26.668 -9.763 1.00 0.00 N ATOM 1789 CA SER A 115 39.189 -27.405 -8.559 1.00 0.00 C ATOM 1790 C SER A 115 38.522 -28.772 -8.552 1.00 0.00 C ATOM 1791 O SER A 115 38.955 -29.683 -7.844 1.00 0.00 O ATOM 1792 CB SER A 115 38.771 -26.619 -7.314 1.00 0.00 C ATOM 1793 OG SER A 115 39.170 -27.335 -6.152 1.00 0.00 O ATOM 0 H SER A 115 38.210 -25.880 -9.609 1.00 0.00 H new ATOM 0 HA SER A 115 40.270 -27.543 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 115 39.231 -25.631 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 115 37.691 -26.468 -7.310 1.00 0.00 H new ATOM 0 HG SER A 115 39.369 -28.264 -6.393 1.00 0.00 H new ATOM 1799 N THR A 116 37.464 -28.907 -9.339 1.00 0.00 N ATOM 1800 CA THR A 116 36.738 -30.167 -9.416 1.00 0.00 C ATOM 1801 C THR A 116 37.686 -31.314 -9.758 1.00 0.00 C ATOM 1802 O THR A 116 38.116 -31.995 -8.843 1.00 0.00 O ATOM 1803 CB THR A 116 35.640 -30.077 -10.476 1.00 0.00 C ATOM 1804 OG1 THR A 116 34.954 -28.841 -10.342 1.00 0.00 O ATOM 1805 CG2 THR A 116 34.652 -31.228 -10.293 1.00 0.00 C ATOM 1806 OXT THR A 116 37.964 -31.494 -10.933 1.00 0.00 O ATOM 0 H THR A 116 37.091 -28.164 -9.930 1.00 0.00 H new ATOM 0 HA THR A 116 36.286 -30.362 -8.443 1.00 0.00 H new ATOM 0 HB THR A 116 36.089 -30.141 -11.467 1.00 0.00 H new ATOM 0 HG1 THR A 116 34.079 -28.903 -10.780 1.00 0.00 H new ATOM 0 HG21 THR A 116 33.871 -31.161 -11.050 1.00 0.00 H new ATOM 0 HG22 THR A 116 35.177 -32.178 -10.396 1.00 0.00 H new ATOM 0 HG23 THR A 116 34.203 -31.168 -9.302 1.00 0.00 H new