USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 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 Set 1.1: A 103 HIS :FLIP no HD1:sc= -4.71! F(o=-5.3,f=-4.7!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -110:sc= 0.00718 (180deg=-0.261) USER MOD Single : A 61 THR OG1 : rot -142:sc= 1.61 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -170:sc= -0.017 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc=0.000494 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 CYS SG : rot -140:sc= -0.0622 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.475 F(o=-1.2,f=-0.48) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 72:sc= 0.201 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0.156 (180deg=0.156) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.316 -5.364 8.094 1.00 0.00 N ATOM 522 CA LEU A 39 8.751 -4.116 8.594 1.00 0.00 C ATOM 523 C LEU A 39 8.017 -4.340 9.912 1.00 0.00 C ATOM 524 O LEU A 39 8.021 -5.443 10.457 1.00 0.00 O ATOM 525 CB LEU A 39 7.795 -3.514 7.561 1.00 0.00 C ATOM 526 CG LEU A 39 8.262 -3.619 6.108 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.148 -3.204 5.160 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.502 -2.767 5.884 1.00 0.00 C ATOM 0 HA LEU A 39 9.571 -3.420 8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.828 -4.008 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.640 -2.462 7.802 1.00 0.00 H new ATOM 0 HG LEU A 39 8.519 -4.658 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.497 -3.285 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.287 -3.856 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.860 -2.173 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.820 -2.854 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.273 -1.725 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.303 -3.111 6.539 1.00 0.00 H new ATOM 540 N LYS A 40 7.386 -3.285 10.419 1.00 0.00 N ATOM 541 CA LYS A 40 6.647 -3.366 11.674 1.00 0.00 C ATOM 542 C LYS A 40 5.549 -2.308 11.727 1.00 0.00 C ATOM 543 O LYS A 40 5.466 -1.441 10.856 1.00 0.00 O ATOM 544 CB LYS A 40 7.597 -3.196 12.862 1.00 0.00 C ATOM 545 CG LYS A 40 8.044 -4.513 13.475 1.00 0.00 C ATOM 546 CD LYS A 40 9.371 -4.366 14.201 1.00 0.00 C ATOM 547 CE LYS A 40 10.228 -5.613 14.052 1.00 0.00 C ATOM 548 NZ LYS A 40 11.033 -5.586 12.799 1.00 0.00 N ATOM 0 H LYS A 40 7.372 -2.364 9.980 1.00 0.00 H new ATOM 0 HA LYS A 40 6.181 -4.350 11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.476 -2.639 12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.105 -2.597 13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.284 -4.868 14.171 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.137 -5.267 12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.909 -3.504 13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.189 -4.172 15.258 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.894 -5.700 14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.588 -6.496 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.604 -6.453 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.396 -5.528 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.662 -4.758 12.808 1.00 0.00 H new ATOM 562 N ILE A 41 4.709 -2.385 12.753 1.00 0.00 N ATOM 563 CA ILE A 41 3.616 -1.435 12.919 1.00 0.00 C ATOM 564 C ILE A 41 4.113 -0.125 13.520 1.00 0.00 C ATOM 565 O ILE A 41 4.354 -0.034 14.723 1.00 0.00 O ATOM 566 CB ILE A 41 2.503 -2.009 13.817 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.127 -3.419 13.364 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.285 -1.097 13.800 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.643 -3.485 11.931 1.00 0.00 C ATOM 0 H ILE A 41 4.764 -3.096 13.482 1.00 0.00 H new ATOM 0 HA ILE A 41 3.209 -1.245 11.926 1.00 0.00 H new ATOM 0 HB ILE A 41 2.875 -2.065 14.840 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.993 -4.071 13.477 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.348 -3.807 14.020 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.508 -1.516 14.439 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.564 -0.110 14.168 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.909 -1.011 12.780 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.394 -4.516 11.678 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.758 -2.859 11.817 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.428 -3.128 11.265 1.00 0.00 H new ATOM 581 N GLY A 42 4.264 0.889 12.673 1.00 0.00 N ATOM 582 CA GLY A 42 4.731 2.181 13.140 1.00 0.00 C ATOM 583 C GLY A 42 5.724 2.818 12.188 1.00 0.00 C ATOM 584 O GLY A 42 5.703 4.030 11.978 1.00 0.00 O ATOM 0 H GLY A 42 4.071 0.839 11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.878 2.847 13.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.195 2.064 14.119 1.00 0.00 H new ATOM 588 N ASP A 43 6.597 1.998 11.611 1.00 0.00 N ATOM 589 CA ASP A 43 7.604 2.489 10.678 1.00 0.00 C ATOM 590 C ASP A 43 6.960 2.936 9.368 1.00 0.00 C ATOM 591 O ASP A 43 5.971 2.355 8.922 1.00 0.00 O ATOM 592 CB ASP A 43 8.648 1.404 10.404 1.00 0.00 C ATOM 593 CG ASP A 43 10.061 1.953 10.385 1.00 0.00 C ATOM 594 OD1 ASP A 43 10.494 2.516 11.412 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.735 1.821 9.341 1.00 0.00 O ATOM 0 H ASP A 43 6.627 0.991 11.773 1.00 0.00 H new ATOM 0 HA ASP A 43 8.096 3.349 11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.572 0.630 11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.432 0.930 9.447 1.00 0.00 H new ATOM 600 N ARG A 44 7.528 3.971 8.758 1.00 0.00 N ATOM 601 CA ARG A 44 7.010 4.495 7.501 1.00 0.00 C ATOM 602 C ARG A 44 7.582 3.725 6.314 1.00 0.00 C ATOM 603 O ARG A 44 8.667 3.150 6.399 1.00 0.00 O ATOM 604 CB ARG A 44 7.344 5.983 7.367 1.00 0.00 C ATOM 605 CG ARG A 44 6.592 6.865 8.351 1.00 0.00 C ATOM 606 CD ARG A 44 7.541 7.610 9.276 1.00 0.00 C ATOM 607 NE ARG A 44 8.094 8.806 8.647 1.00 0.00 N ATOM 608 CZ ARG A 44 7.433 9.955 8.530 1.00 0.00 C ATOM 609 NH1 ARG A 44 6.195 10.068 8.998 1.00 0.00 N ATOM 610 NH2 ARG A 44 8.010 10.995 7.943 1.00 0.00 N ATOM 0 H ARG A 44 8.347 4.463 9.114 1.00 0.00 H new ATOM 0 HA ARG A 44 5.927 4.372 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.415 6.121 7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.116 6.308 6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.980 7.582 7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.912 6.252 8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.013 7.891 10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.354 6.947 9.571 1.00 0.00 H new ATOM 0 HE ARG A 44 9.043 8.758 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.746 9.271 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.693 10.951 8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.960 10.914 7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.503 11.876 7.853 1.00 0.00 H new ATOM 624 N VAL A 45 6.845 3.720 5.208 1.00 0.00 N ATOM 625 CA VAL A 45 7.280 3.020 4.005 1.00 0.00 C ATOM 626 C VAL A 45 6.957 3.826 2.751 1.00 0.00 C ATOM 627 O VAL A 45 6.248 4.830 2.812 1.00 0.00 O ATOM 628 CB VAL A 45 6.619 1.632 3.893 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.122 0.710 4.993 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.105 1.757 3.942 1.00 0.00 C ATOM 0 H VAL A 45 5.945 4.192 5.120 1.00 0.00 H new ATOM 0 HA VAL A 45 8.360 2.896 4.085 1.00 0.00 H new ATOM 0 HB VAL A 45 6.893 1.195 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.644 -0.265 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.202 0.595 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.881 1.139 5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.655 0.767 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.808 2.215 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.764 2.379 3.114 1.00 0.00 H new ATOM 640 N LEU A 46 7.481 3.378 1.616 1.00 0.00 N ATOM 641 CA LEU A 46 7.249 4.056 0.345 1.00 0.00 C ATOM 642 C LEU A 46 7.161 3.049 -0.798 1.00 0.00 C ATOM 643 O LEU A 46 7.834 2.020 -0.784 1.00 0.00 O ATOM 644 CB LEU A 46 8.368 5.062 0.069 1.00 0.00 C ATOM 645 CG LEU A 46 8.135 5.975 -1.136 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.983 6.932 -0.866 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.403 6.746 -1.472 1.00 0.00 C ATOM 0 H LEU A 46 8.070 2.548 1.549 1.00 0.00 H new ATOM 0 HA LEU A 46 6.300 4.588 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.505 5.682 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.298 4.515 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 46 7.872 5.355 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.832 7.574 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.074 6.362 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.217 7.547 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.220 7.391 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.696 7.356 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.203 6.045 -1.708 1.00 0.00 H new ATOM 659 N VAL A 47 6.323 3.352 -1.785 1.00 0.00 N ATOM 660 CA VAL A 47 6.147 2.471 -2.933 1.00 0.00 C ATOM 661 C VAL A 47 6.097 3.263 -4.235 1.00 0.00 C ATOM 662 O VAL A 47 5.161 4.028 -4.472 1.00 0.00 O ATOM 663 CB VAL A 47 4.860 1.634 -2.804 1.00 0.00 C ATOM 664 CG1 VAL A 47 4.947 0.702 -1.607 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.642 2.539 -2.697 1.00 0.00 C ATOM 0 H VAL A 47 5.756 4.200 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 47 7.008 1.803 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 47 4.753 1.025 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.029 0.119 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.795 0.029 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.079 1.289 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.743 1.930 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.738 3.176 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.571 3.160 -3.590 1.00 0.00 H new ATOM 675 N GLY A 48 7.109 3.076 -5.075 1.00 0.00 N ATOM 676 CA GLY A 48 7.160 3.778 -6.344 1.00 0.00 C ATOM 677 C GLY A 48 7.963 5.063 -6.269 1.00 0.00 C ATOM 678 O GLY A 48 8.469 5.545 -7.282 1.00 0.00 O ATOM 0 H GLY A 48 7.895 2.450 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.597 3.125 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.145 4.007 -6.669 1.00 0.00 H new ATOM 682 N GLY A 49 8.079 5.620 -5.068 1.00 0.00 N ATOM 683 CA GLY A 49 8.827 6.851 -4.891 1.00 0.00 C ATOM 684 C GLY A 49 7.927 8.070 -4.843 1.00 0.00 C ATOM 685 O GLY A 49 8.339 9.170 -5.212 1.00 0.00 O ATOM 0 H GLY A 49 7.669 5.241 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.405 6.793 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.540 6.961 -5.708 1.00 0.00 H new ATOM 689 N THR A 50 6.694 7.874 -4.388 1.00 0.00 N ATOM 690 CA THR A 50 5.731 8.965 -4.292 1.00 0.00 C ATOM 691 C THR A 50 4.686 8.677 -3.219 1.00 0.00 C ATOM 692 O THR A 50 4.362 9.544 -2.407 1.00 0.00 O ATOM 693 CB THR A 50 5.046 9.186 -5.641 1.00 0.00 C ATOM 694 OG1 THR A 50 4.929 7.966 -6.351 1.00 0.00 O ATOM 695 CG2 THR A 50 5.778 10.167 -6.531 1.00 0.00 C ATOM 0 H THR A 50 6.338 6.969 -4.080 1.00 0.00 H new ATOM 0 HA THR A 50 6.271 9.870 -4.013 1.00 0.00 H new ATOM 0 HB THR A 50 4.066 9.599 -5.402 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.487 8.129 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.239 10.277 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.840 11.134 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.784 9.797 -6.731 1.00 0.00 H new ATOM 703 N LYS A 51 4.161 7.456 -3.222 1.00 0.00 N ATOM 704 CA LYS A 51 3.151 7.056 -2.249 1.00 0.00 C ATOM 705 C LYS A 51 3.801 6.634 -0.934 1.00 0.00 C ATOM 706 O LYS A 51 4.475 5.607 -0.866 1.00 0.00 O ATOM 707 CB LYS A 51 2.304 5.910 -2.803 1.00 0.00 C ATOM 708 CG LYS A 51 1.628 6.238 -4.125 1.00 0.00 C ATOM 709 CD LYS A 51 0.235 5.633 -4.205 1.00 0.00 C ATOM 710 CE LYS A 51 -0.837 6.662 -3.883 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.046 6.489 -4.736 1.00 0.00 N ATOM 0 H LYS A 51 4.418 6.727 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 51 2.507 7.914 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.937 5.033 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.542 5.645 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.563 7.320 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.236 5.863 -4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.068 5.232 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.159 4.797 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.118 6.577 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.433 7.664 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.113 7.280 -5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.975 5.594 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.895 6.472 -4.136 1.00 0.00 H new ATOM 725 N ALA A 52 3.590 7.432 0.107 1.00 0.00 N ATOM 726 CA ALA A 52 4.153 7.141 1.421 1.00 0.00 C ATOM 727 C ALA A 52 3.053 6.927 2.453 1.00 0.00 C ATOM 728 O ALA A 52 1.967 7.497 2.346 1.00 0.00 O ATOM 729 CB ALA A 52 5.078 8.266 1.858 1.00 0.00 C ATOM 0 H ALA A 52 3.033 8.286 0.067 1.00 0.00 H new ATOM 0 HA ALA A 52 4.730 6.219 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.491 8.036 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.890 8.370 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.517 9.199 1.910 1.00 0.00 H new ATOM 735 N GLY A 53 3.340 6.101 3.454 1.00 0.00 N ATOM 736 CA GLY A 53 2.364 5.825 4.492 1.00 0.00 C ATOM 737 C GLY A 53 2.949 5.032 5.643 1.00 0.00 C ATOM 738 O GLY A 53 4.041 4.475 5.530 1.00 0.00 O ATOM 0 H GLY A 53 4.231 5.618 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.964 6.766 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.528 5.273 4.063 1.00 0.00 H new ATOM 742 N VAL A 54 2.221 4.979 6.753 1.00 0.00 N ATOM 743 CA VAL A 54 2.674 4.249 7.930 1.00 0.00 C ATOM 744 C VAL A 54 2.077 2.846 7.970 1.00 0.00 C ATOM 745 O VAL A 54 0.876 2.666 7.772 1.00 0.00 O ATOM 746 CB VAL A 54 2.302 4.987 9.230 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.952 4.320 10.431 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.700 6.453 9.144 1.00 0.00 C ATOM 0 H VAL A 54 1.314 5.433 6.862 1.00 0.00 H new ATOM 0 HA VAL A 54 3.759 4.180 7.858 1.00 0.00 H new ATOM 0 HB VAL A 54 1.221 4.934 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.676 4.857 11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.611 3.287 10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.036 4.337 10.314 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.430 6.958 10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.776 6.529 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.180 6.923 8.309 1.00 0.00 H new ATOM 758 N VAL A 55 2.925 1.855 8.224 1.00 0.00 N ATOM 759 CA VAL A 55 2.482 0.468 8.290 1.00 0.00 C ATOM 760 C VAL A 55 1.464 0.269 9.408 1.00 0.00 C ATOM 761 O VAL A 55 1.782 0.425 10.586 1.00 0.00 O ATOM 762 CB VAL A 55 3.667 -0.492 8.512 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.209 -1.940 8.424 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.777 -0.214 7.508 1.00 0.00 C ATOM 0 H VAL A 55 3.923 1.987 8.388 1.00 0.00 H new ATOM 0 HA VAL A 55 2.015 0.240 7.332 1.00 0.00 H new ATOM 0 HB VAL A 55 4.063 -0.322 9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.061 -2.601 8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.454 -2.130 9.187 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.784 -2.128 7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.605 -0.902 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.396 -0.352 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.127 0.812 7.627 1.00 0.00 H new ATOM 774 N ARG A 56 0.238 -0.078 9.029 1.00 0.00 N ATOM 775 CA ARG A 56 -0.828 -0.299 10.000 1.00 0.00 C ATOM 776 C ARG A 56 -1.040 -1.789 10.244 1.00 0.00 C ATOM 777 O ARG A 56 -1.312 -2.212 11.368 1.00 0.00 O ATOM 778 CB ARG A 56 -2.130 0.340 9.513 1.00 0.00 C ATOM 779 CG ARG A 56 -2.312 1.778 9.976 1.00 0.00 C ATOM 780 CD ARG A 56 -2.387 1.874 11.491 1.00 0.00 C ATOM 781 NE ARG A 56 -1.285 2.659 12.045 1.00 0.00 N ATOM 782 CZ ARG A 56 -1.292 3.186 13.267 1.00 0.00 C ATOM 783 NH1 ARG A 56 -2.339 3.015 14.066 1.00 0.00 N ATOM 784 NH2 ARG A 56 -0.250 3.887 13.692 1.00 0.00 N ATOM 0 H ARG A 56 -0.042 -0.212 8.057 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.532 0.167 10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.154 0.312 8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.972 -0.256 9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.483 2.385 9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.222 2.189 9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.336 2.327 11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.369 0.872 11.919 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.463 2.812 11.461 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.144 2.477 13.744 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.338 3.421 15.002 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.557 4.022 13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.255 4.291 14.629 1.00 0.00 H new ATOM 798 N PHE A 57 -0.914 -2.581 9.185 1.00 0.00 N ATOM 799 CA PHE A 57 -1.092 -4.025 9.285 1.00 0.00 C ATOM 800 C PHE A 57 0.011 -4.763 8.535 1.00 0.00 C ATOM 801 O PHE A 57 0.711 -4.179 7.708 1.00 0.00 O ATOM 802 CB PHE A 57 -2.460 -4.430 8.731 1.00 0.00 C ATOM 803 CG PHE A 57 -2.877 -5.821 9.119 1.00 0.00 C ATOM 804 CD1 PHE A 57 -3.077 -6.152 10.450 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.067 -6.795 8.153 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.461 -7.430 10.809 1.00 0.00 C ATOM 807 CE2 PHE A 57 -3.451 -8.075 8.507 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.647 -8.393 9.836 1.00 0.00 C ATOM 0 H PHE A 57 -0.689 -2.248 8.248 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.037 -4.301 10.338 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.210 -3.723 9.085 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.439 -4.356 7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.931 -5.403 11.215 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.914 -6.552 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.616 -7.676 11.849 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.598 -8.826 7.744 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.945 -9.393 10.115 1.00 0.00 H new ATOM 818 N LEU A 58 0.162 -6.051 8.830 1.00 0.00 N ATOM 819 CA LEU A 58 1.181 -6.870 8.184 1.00 0.00 C ATOM 820 C LEU A 58 0.766 -8.336 8.161 1.00 0.00 C ATOM 821 O LEU A 58 0.884 -9.040 9.163 1.00 0.00 O ATOM 822 CB LEU A 58 2.521 -6.717 8.906 1.00 0.00 C ATOM 823 CG LEU A 58 3.716 -7.353 8.195 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.939 -6.700 6.840 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.966 -7.242 9.054 1.00 0.00 C ATOM 0 H LEU A 58 -0.409 -6.550 9.513 1.00 0.00 H new ATOM 0 HA LEU A 58 1.290 -6.527 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.723 -5.655 9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.433 -7.156 9.900 1.00 0.00 H new ATOM 0 HG LEU A 58 3.501 -8.410 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.793 -7.165 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.050 -6.830 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.134 -5.636 6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.807 -7.700 8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.185 -6.191 9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.803 -7.756 10.002 1.00 0.00 H new ATOM 837 N GLY A 59 0.280 -8.791 7.011 1.00 0.00 N ATOM 838 CA GLY A 59 -0.145 -10.172 6.879 1.00 0.00 C ATOM 839 C GLY A 59 -0.332 -10.587 5.433 1.00 0.00 C ATOM 840 O GLY A 59 0.360 -10.091 4.543 1.00 0.00 O ATOM 0 H GLY A 59 0.173 -8.228 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.594 -10.822 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.082 -10.313 7.418 1.00 0.00 H new ATOM 844 N GLU A 60 -1.269 -11.499 5.197 1.00 0.00 N ATOM 845 CA GLU A 60 -1.545 -11.982 3.849 1.00 0.00 C ATOM 846 C GLU A 60 -2.824 -11.358 3.299 1.00 0.00 C ATOM 847 O GLU A 60 -3.600 -10.753 4.039 1.00 0.00 O ATOM 848 CB GLU A 60 -1.664 -13.506 3.844 1.00 0.00 C ATOM 849 CG GLU A 60 -0.323 -14.222 3.824 1.00 0.00 C ATOM 850 CD GLU A 60 -0.399 -15.619 4.409 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.221 -16.423 3.919 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.362 -15.909 5.355 1.00 0.00 O ATOM 0 H GLU A 60 -1.850 -11.919 5.922 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.714 -11.688 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.221 -13.821 4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.244 -13.814 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.038 -14.281 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.406 -13.636 4.385 1.00 0.00 H new ATOM 859 N THR A 61 -3.038 -11.511 1.996 1.00 0.00 N ATOM 860 CA THR A 61 -4.223 -10.964 1.346 1.00 0.00 C ATOM 861 C THR A 61 -5.131 -12.080 0.841 1.00 0.00 C ATOM 862 O THR A 61 -4.767 -13.256 0.881 1.00 0.00 O ATOM 863 CB THR A 61 -3.819 -10.055 0.184 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.617 -10.508 -0.412 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.613 -8.613 0.595 1.00 0.00 C ATOM 0 H THR A 61 -2.406 -12.009 1.370 1.00 0.00 H new ATOM 0 HA THR A 61 -4.773 -10.378 2.083 1.00 0.00 H new ATOM 0 HB THR A 61 -4.650 -10.099 -0.520 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.068 -9.737 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.328 -8.023 -0.276 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.539 -8.218 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.823 -8.557 1.344 1.00 0.00 H new ATOM 873 N ASP A 62 -6.315 -11.705 0.367 1.00 0.00 N ATOM 874 CA ASP A 62 -7.275 -12.675 -0.147 1.00 0.00 C ATOM 875 C ASP A 62 -7.415 -12.554 -1.660 1.00 0.00 C ATOM 876 O ASP A 62 -7.666 -13.540 -2.352 1.00 0.00 O ATOM 877 CB ASP A 62 -8.637 -12.477 0.521 1.00 0.00 C ATOM 878 CG ASP A 62 -9.394 -13.780 0.688 1.00 0.00 C ATOM 879 OD1 ASP A 62 -9.792 -14.372 -0.336 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.587 -14.209 1.845 1.00 0.00 O ATOM 0 H ASP A 62 -6.632 -10.736 0.328 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.905 -13.674 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.496 -12.014 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.234 -11.787 -0.075 1.00 0.00 H new ATOM 885 N PHE A 63 -7.251 -11.337 -2.169 1.00 0.00 N ATOM 886 CA PHE A 63 -7.358 -11.086 -3.601 1.00 0.00 C ATOM 887 C PHE A 63 -6.110 -11.566 -4.333 1.00 0.00 C ATOM 888 O PHE A 63 -6.183 -12.019 -5.475 1.00 0.00 O ATOM 889 CB PHE A 63 -7.576 -9.595 -3.864 1.00 0.00 C ATOM 890 CG PHE A 63 -6.504 -8.720 -3.278 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.338 -8.466 -3.983 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.662 -8.152 -2.024 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.350 -7.661 -3.447 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.677 -7.348 -1.483 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.520 -7.102 -2.196 1.00 0.00 C ATOM 0 H PHE A 63 -7.043 -10.509 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.215 -11.644 -3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.623 -9.427 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.541 -9.299 -3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.200 -8.902 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.566 -8.340 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.446 -7.470 -4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.812 -6.913 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.749 -6.473 -1.776 1.00 0.00 H new ATOM 905 N ALA A 64 -4.964 -11.465 -3.667 1.00 0.00 N ATOM 906 CA ALA A 64 -3.698 -11.889 -4.254 1.00 0.00 C ATOM 907 C ALA A 64 -3.061 -13.006 -3.435 1.00 0.00 C ATOM 908 O ALA A 64 -3.542 -13.352 -2.356 1.00 0.00 O ATOM 909 CB ALA A 64 -2.748 -10.707 -4.367 1.00 0.00 C ATOM 0 H ALA A 64 -4.886 -11.093 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.899 -12.276 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.807 -11.037 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.195 -9.940 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.560 -10.295 -3.375 1.00 0.00 H new ATOM 915 N LYS A 65 -1.975 -13.568 -3.955 1.00 0.00 N ATOM 916 CA LYS A 65 -1.270 -14.647 -3.272 1.00 0.00 C ATOM 917 C LYS A 65 0.034 -14.144 -2.663 1.00 0.00 C ATOM 918 O LYS A 65 0.571 -13.117 -3.079 1.00 0.00 O ATOM 919 CB LYS A 65 -0.984 -15.792 -4.245 1.00 0.00 C ATOM 920 CG LYS A 65 -2.097 -16.827 -4.310 1.00 0.00 C ATOM 921 CD LYS A 65 -2.406 -17.226 -5.744 1.00 0.00 C ATOM 922 CE LYS A 65 -1.729 -18.535 -6.117 1.00 0.00 C ATOM 923 NZ LYS A 65 -0.514 -18.314 -6.950 1.00 0.00 N ATOM 0 H LYS A 65 -1.564 -13.294 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.908 -15.013 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.824 -15.380 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.057 -16.285 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.807 -17.710 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.996 -16.426 -3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.484 -17.324 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.075 -16.438 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.454 -19.073 -5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.432 -19.165 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.082 -19.231 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.779 -17.823 -7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.168 -17.734 -6.422 1.00 0.00 H new ATOM 937 N GLY A 66 0.539 -14.874 -1.674 1.00 0.00 N ATOM 938 CA GLY A 66 1.776 -14.487 -1.023 1.00 0.00 C ATOM 939 C GLY A 66 1.548 -13.550 0.147 1.00 0.00 C ATOM 940 O GLY A 66 0.467 -13.536 0.737 1.00 0.00 O ATOM 0 H GLY A 66 0.113 -15.727 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.294 -15.380 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.429 -14.004 -1.749 1.00 0.00 H new ATOM 944 N GLU A 67 2.567 -12.766 0.484 1.00 0.00 N ATOM 945 CA GLU A 67 2.472 -11.823 1.591 1.00 0.00 C ATOM 946 C GLU A 67 2.245 -10.404 1.079 1.00 0.00 C ATOM 947 O GLU A 67 2.885 -9.969 0.122 1.00 0.00 O ATOM 948 CB GLU A 67 3.742 -11.872 2.442 1.00 0.00 C ATOM 949 CG GLU A 67 3.580 -11.240 3.815 1.00 0.00 C ATOM 950 CD GLU A 67 4.787 -11.462 4.705 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.174 -12.634 4.898 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.344 -10.465 5.211 1.00 0.00 O ATOM 0 H GLU A 67 3.468 -12.766 0.006 1.00 0.00 H new ATOM 0 HA GLU A 67 1.619 -12.110 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.048 -12.911 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.546 -11.363 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.410 -10.170 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.695 -11.653 4.299 1.00 0.00 H new ATOM 959 N TRP A 68 1.330 -9.687 1.724 1.00 0.00 N ATOM 960 CA TRP A 68 1.019 -8.316 1.333 1.00 0.00 C ATOM 961 C TRP A 68 1.014 -7.393 2.547 1.00 0.00 C ATOM 962 O TRP A 68 0.360 -7.674 3.551 1.00 0.00 O ATOM 963 CB TRP A 68 -0.339 -8.260 0.630 1.00 0.00 C ATOM 964 CG TRP A 68 -0.268 -8.614 -0.825 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.070 -9.824 -1.358 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.539 -7.748 -1.932 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.025 -9.764 -2.730 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.348 -8.500 -3.106 1.00 0.00 C ATOM 969 CE3 TRP A 68 -0.928 -6.410 -2.045 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.531 -7.958 -4.376 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.109 -5.873 -3.306 1.00 0.00 C ATOM 972 CH2 TRP A 68 -0.910 -6.647 -4.457 1.00 0.00 C ATOM 0 H TRP A 68 0.791 -10.032 2.519 1.00 0.00 H new ATOM 0 HA TRP A 68 1.792 -7.976 0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.027 -8.942 1.130 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.753 -7.257 0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.334 -10.701 -0.785 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.235 -10.534 -3.365 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.084 -5.807 -1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.379 -8.552 -5.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.409 -4.840 -3.406 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.059 -6.199 -5.428 1.00 0.00 H new ATOM 983 N CYS A 69 1.750 -6.291 2.448 1.00 0.00 N ATOM 984 CA CYS A 69 1.832 -5.326 3.538 1.00 0.00 C ATOM 985 C CYS A 69 0.708 -4.300 3.443 1.00 0.00 C ATOM 986 O CYS A 69 0.550 -3.629 2.422 1.00 0.00 O ATOM 987 CB CYS A 69 3.188 -4.617 3.518 1.00 0.00 C ATOM 988 SG CYS A 69 3.423 -3.437 4.868 1.00 0.00 S ATOM 0 H CYS A 69 2.298 -6.044 1.624 1.00 0.00 H new ATOM 0 HA CYS A 69 1.726 -5.868 4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.979 -5.366 3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.298 -4.093 2.568 1.00 0.00 H new ATOM 0 HG CYS A 69 4.499 -2.740 4.653 1.00 0.00 H new ATOM 994 N GLY A 70 -0.072 -4.183 4.512 1.00 0.00 N ATOM 995 CA GLY A 70 -1.172 -3.236 4.528 1.00 0.00 C ATOM 996 C GLY A 70 -0.784 -1.907 5.147 1.00 0.00 C ATOM 997 O GLY A 70 -0.785 -1.760 6.369 1.00 0.00 O ATOM 0 H GLY A 70 0.038 -4.727 5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.520 -3.071 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.007 -3.663 5.084 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.449 -0.938 4.300 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.057 0.384 4.771 1.00 0.00 C ATOM 1003 C VAL A 71 -1.221 1.366 4.687 1.00 0.00 C ATOM 1004 O VAL A 71 -1.888 1.467 3.657 1.00 0.00 O ATOM 1005 CB VAL A 71 1.127 0.941 3.958 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.646 2.228 4.582 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.236 -0.095 3.854 1.00 0.00 C ATOM 0 H VAL A 71 -0.441 -1.044 3.286 1.00 0.00 H new ATOM 0 HA VAL A 71 0.246 0.271 5.812 1.00 0.00 H new ATOM 0 HB VAL A 71 0.778 1.169 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.482 2.606 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.849 2.971 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.979 2.030 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.064 0.315 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.585 -0.356 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.855 -0.987 3.358 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.459 2.087 5.777 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.541 3.062 5.828 1.00 0.00 C ATOM 1019 C GLU A 72 -2.034 4.456 5.474 1.00 0.00 C ATOM 1020 O GLU A 72 -1.179 5.009 6.166 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.179 3.076 7.219 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.345 4.044 7.344 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.093 5.134 8.367 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -4.262 4.866 9.575 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -3.727 6.256 7.961 1.00 0.00 O ATOM 0 H GLU A 72 -0.916 2.014 6.638 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.293 2.771 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.524 2.071 7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.419 3.338 7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.539 4.500 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.243 3.491 7.621 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.564 5.017 4.394 1.00 0.00 N ATOM 1033 CA LEU A 73 -2.164 6.346 3.948 1.00 0.00 C ATOM 1034 C LEU A 73 -2.885 7.428 4.745 1.00 0.00 C ATOM 1035 O LEU A 73 -4.092 7.344 4.974 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.455 6.517 2.455 1.00 0.00 C ATOM 1037 CG LEU A 73 -2.124 5.302 1.587 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.631 5.507 0.168 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.625 5.040 1.587 1.00 0.00 C ATOM 0 H LEU A 73 -3.272 4.572 3.810 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.092 6.449 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.511 6.756 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.890 7.373 2.086 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.625 4.430 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.387 4.633 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.712 5.646 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.158 6.389 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.407 4.172 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.103 5.911 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.289 4.849 2.606 1.00 0.00 H new ATOM 1051 N ASP A 74 -2.138 8.443 5.165 1.00 0.00 N ATOM 1052 CA ASP A 74 -2.707 9.542 5.937 1.00 0.00 C ATOM 1053 C ASP A 74 -3.509 10.480 5.040 1.00 0.00 C ATOM 1054 O ASP A 74 -4.477 11.100 5.481 1.00 0.00 O ATOM 1055 CB ASP A 74 -1.598 10.321 6.649 1.00 0.00 C ATOM 1056 CG ASP A 74 -1.501 9.974 8.122 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -0.893 8.932 8.448 1.00 0.00 O ATOM 1058 OD2 ASP A 74 -2.036 10.743 8.948 1.00 0.00 O ATOM 0 H ASP A 74 -1.138 8.528 4.984 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.380 9.119 6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.644 10.112 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.782 11.390 6.542 1.00 0.00 H new ATOM 1063 N GLU A 75 -3.101 10.578 3.778 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.784 11.440 2.820 1.00 0.00 C ATOM 1065 C GLU A 75 -4.775 10.640 1.977 1.00 0.00 C ATOM 1066 O GLU A 75 -4.696 9.413 1.909 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.766 12.132 1.911 1.00 0.00 C ATOM 1068 CG GLU A 75 -2.287 13.472 2.446 1.00 0.00 C ATOM 1069 CD GLU A 75 -0.839 13.435 2.896 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -0.378 12.360 3.332 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -0.165 14.484 2.813 1.00 0.00 O ATOM 0 H GLU A 75 -2.302 10.072 3.396 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.337 12.196 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.906 11.476 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.211 12.281 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.404 14.231 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.917 13.771 3.284 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.726 11.329 1.323 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.735 10.676 0.483 1.00 0.00 C ATOM 1080 C PRO A 76 -6.138 10.098 -0.796 1.00 0.00 C ATOM 1081 O PRO A 76 -6.277 10.674 -1.876 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.710 11.809 0.154 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.898 13.052 0.263 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.891 12.794 1.351 1.00 0.00 C ATOM 0 HA PRO A 76 -7.200 9.829 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.126 11.695 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.550 11.823 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.403 13.279 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.526 13.909 0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.950 13.308 1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.249 13.140 2.321 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.472 8.955 -0.668 1.00 0.00 N ATOM 1093 CA LEU A 77 -4.853 8.298 -1.813 1.00 0.00 C ATOM 1094 C LEU A 77 -4.990 6.782 -1.710 1.00 0.00 C ATOM 1095 O LEU A 77 -4.136 6.037 -2.188 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.376 8.681 -1.912 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.085 10.179 -1.795 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.629 10.413 -1.425 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.428 10.889 -3.096 1.00 0.00 C ATOM 0 H LEU A 77 -5.347 8.465 0.218 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.369 8.632 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.828 8.158 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.987 8.324 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.709 10.591 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.441 11.484 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.415 9.936 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.985 9.987 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.215 11.953 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.829 10.473 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.486 10.750 -3.319 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.073 6.332 -1.081 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.302 4.908 -0.926 1.00 0.00 C ATOM 1113 C GLY A 78 -7.441 4.406 -1.793 1.00 0.00 C ATOM 1114 O GLY A 78 -7.905 5.112 -2.688 1.00 0.00 O ATOM 0 H GLY A 78 -6.795 6.929 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.391 4.367 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.522 4.690 0.119 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.890 3.185 -1.527 1.00 0.00 N ATOM 1119 CA LYS A 79 -8.980 2.589 -2.289 1.00 0.00 C ATOM 1120 C LYS A 79 -10.020 1.971 -1.359 1.00 0.00 C ATOM 1121 O LYS A 79 -11.222 2.178 -1.531 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.440 1.526 -3.248 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.092 1.556 -4.620 1.00 0.00 C ATOM 1124 CD LYS A 79 -10.436 0.845 -4.613 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.657 0.061 -5.896 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.572 -1.096 -5.691 1.00 0.00 N ATOM 0 H LYS A 79 -7.516 2.588 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.459 3.379 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.365 1.665 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.589 0.541 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.228 2.590 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.433 1.083 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.487 0.170 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.235 1.576 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.072 0.721 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.699 -0.297 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.696 -1.604 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.164 -1.740 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.495 -0.753 -5.357 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.550 1.213 -0.373 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.439 0.566 0.584 1.00 0.00 C ATOM 1142 C ASN A 80 -10.440 1.313 1.915 1.00 0.00 C ATOM 1143 O ASN A 80 -9.723 2.299 2.085 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.017 -0.887 0.802 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.832 -1.637 -0.503 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.780 -1.822 -1.266 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.604 -2.073 -0.765 1.00 0.00 N ATOM 0 H ASN A 80 -8.558 1.032 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.449 0.586 0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.085 -0.911 1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.769 -1.394 1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.417 -2.584 -1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.848 -1.897 -0.103 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.250 0.836 2.855 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.344 1.459 4.171 1.00 0.00 C ATOM 1156 C ASP A 81 -10.832 0.518 5.257 1.00 0.00 C ATOM 1157 O ASP A 81 -11.306 0.547 6.391 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.791 1.856 4.467 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.738 0.674 4.415 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.963 0.143 3.307 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.255 0.280 5.481 1.00 0.00 O ATOM 0 H ASP A 81 -11.850 0.021 2.730 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.721 2.354 4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.844 2.317 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.113 2.608 3.746 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.859 -0.315 4.899 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.298 -1.252 5.854 1.00 0.00 C ATOM 1168 C GLY A 82 -9.887 -2.642 5.718 1.00 0.00 C ATOM 1169 O GLY A 82 -9.187 -3.639 5.890 1.00 0.00 O ATOM 0 H GLY A 82 -9.450 -0.357 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.218 -1.303 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.473 -0.884 6.865 1.00 0.00 H new ATOM 1173 N ALA A 83 -11.178 -2.708 5.408 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.861 -3.987 5.247 1.00 0.00 C ATOM 1175 C ALA A 83 -11.819 -4.451 3.796 1.00 0.00 C ATOM 1176 O ALA A 83 -11.915 -3.644 2.872 1.00 0.00 O ATOM 1177 CB ALA A 83 -13.300 -3.879 5.728 1.00 0.00 C ATOM 0 H ALA A 83 -11.772 -1.891 5.263 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.342 -4.729 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.799 -4.840 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.311 -3.599 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.822 -3.120 5.145 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.674 -5.758 3.602 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.619 -6.330 2.263 1.00 0.00 C ATOM 1185 C VAL A 84 -12.362 -7.661 2.202 1.00 0.00 C ATOM 1186 O VAL A 84 -11.943 -8.645 2.809 1.00 0.00 O ATOM 1187 CB VAL A 84 -10.165 -6.546 1.803 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -10.121 -6.954 0.338 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -9.338 -5.292 2.040 1.00 0.00 C ATOM 0 H VAL A 84 -11.593 -6.440 4.356 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.101 -5.616 1.595 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.734 -7.355 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.085 -7.102 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.675 -7.883 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.571 -6.170 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.314 -5.464 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.767 -4.462 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.340 -5.050 3.103 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.467 -7.681 1.464 1.00 0.00 N ATOM 1200 CA ALA A 85 -14.270 -8.891 1.323 1.00 0.00 C ATOM 1201 C ALA A 85 -14.750 -9.393 2.681 1.00 0.00 C ATOM 1202 O ALA A 85 -14.933 -10.594 2.880 1.00 0.00 O ATOM 1203 CB ALA A 85 -13.472 -9.973 0.611 1.00 0.00 C ATOM 0 H ALA A 85 -13.827 -6.874 0.955 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.147 -8.647 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.083 -10.870 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.183 -9.620 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.577 -10.205 1.189 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.952 -8.466 3.611 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.409 -8.834 4.938 1.00 0.00 C ATOM 1211 C GLY A 86 -14.271 -8.939 5.935 1.00 0.00 C ATOM 1212 O GLY A 86 -14.467 -8.742 7.134 1.00 0.00 O ATOM 0 H GLY A 86 -14.807 -7.466 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.129 -8.094 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.932 -9.789 4.887 1.00 0.00 H new ATOM 1216 N THR A 87 -13.079 -9.251 5.438 1.00 0.00 N ATOM 1217 CA THR A 87 -11.904 -9.382 6.293 1.00 0.00 C ATOM 1218 C THR A 87 -11.410 -8.013 6.750 1.00 0.00 C ATOM 1219 O THR A 87 -11.068 -7.160 5.932 1.00 0.00 O ATOM 1220 CB THR A 87 -10.788 -10.119 5.553 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.319 -11.160 4.752 1.00 0.00 O ATOM 1222 CG2 THR A 87 -9.759 -10.732 6.480 1.00 0.00 C ATOM 0 H THR A 87 -12.901 -9.418 4.448 1.00 0.00 H new ATOM 0 HA THR A 87 -12.188 -9.959 7.173 1.00 0.00 H new ATOM 0 HB THR A 87 -10.298 -9.362 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.589 -11.618 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.995 -11.240 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.294 -9.948 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.246 -11.450 7.140 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.375 -7.810 8.063 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.922 -6.547 8.630 1.00 0.00 C ATOM 1232 C ARG A 88 -9.440 -6.608 8.986 1.00 0.00 C ATOM 1233 O ARG A 88 -9.007 -7.490 9.727 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.744 -6.197 9.872 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.059 -4.716 9.996 1.00 0.00 C ATOM 1236 CD ARG A 88 -12.938 -4.433 11.203 1.00 0.00 C ATOM 1237 NE ARG A 88 -12.154 -4.035 12.370 1.00 0.00 N ATOM 1238 CZ ARG A 88 -12.614 -4.071 13.619 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -13.849 -4.486 13.868 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -11.834 -3.691 14.622 1.00 0.00 N ATOM 0 H ARG A 88 -11.656 -8.506 8.754 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.063 -5.770 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.678 -6.758 9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.200 -6.520 10.760 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.131 -4.151 10.080 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.560 -4.372 9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.648 -3.644 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.521 -5.322 11.444 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.199 -3.711 12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.453 -4.780 13.100 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.195 -4.511 14.827 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.883 -3.372 14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.185 -3.718 15.579 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.669 -5.667 8.452 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.236 -5.613 8.713 1.00 0.00 C ATOM 1256 C TYR A 89 -6.896 -4.467 9.660 1.00 0.00 C ATOM 1257 O TYR A 89 -6.187 -4.653 10.648 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.463 -5.454 7.403 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.773 -6.526 6.382 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -8.013 -6.580 5.758 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.824 -7.484 6.042 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.299 -7.559 4.824 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -6.103 -8.464 5.110 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.341 -8.497 4.503 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.622 -9.473 3.575 1.00 0.00 O ATOM 0 H TYR A 89 -9.013 -4.931 7.835 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.944 -6.550 9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.690 -4.478 6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.394 -5.467 7.618 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.765 -5.846 6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.853 -7.461 6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.268 -7.589 4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.355 -9.201 4.858 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.840 -10.053 3.463 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.410 -3.281 9.351 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.164 -2.103 10.175 1.00 0.00 C ATOM 1277 C PHE A 90 -8.328 -1.121 10.083 1.00 0.00 C ATOM 1278 O PHE A 90 -8.671 -0.650 9.000 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.867 -1.415 9.744 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.768 -1.192 8.262 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -6.318 -0.060 7.680 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.127 -2.113 7.450 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -6.229 0.148 6.317 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.034 -1.910 6.086 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.586 -0.778 5.519 1.00 0.00 C ATOM 0 H PHE A 90 -7.999 -3.110 8.536 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.068 -2.429 11.211 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.788 -0.455 10.253 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.020 -2.019 10.069 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.822 0.667 8.299 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.695 -3.000 7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.662 1.034 5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.530 -2.636 5.464 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.515 -0.617 4.453 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.930 -0.819 11.228 1.00 0.00 N ATOM 1296 CA GLN A 91 -10.056 0.106 11.279 1.00 0.00 C ATOM 1297 C GLN A 91 -9.625 1.509 10.861 1.00 0.00 C ATOM 1298 O GLN A 91 -8.819 2.149 11.537 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.654 0.137 12.688 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.152 -0.114 12.718 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.949 1.038 12.139 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -13.012 2.121 12.722 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -13.563 0.811 10.983 1.00 0.00 N ATOM 0 H GLN A 91 -8.657 -1.201 12.133 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.816 -0.243 10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.156 -0.613 13.302 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.447 1.107 13.140 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.375 -1.023 12.159 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.467 -0.288 13.747 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.484 -0.102 10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -14.113 1.549 10.544 1.00 0.00 H new ATOM 1312 N CYS A 92 -10.168 1.982 9.744 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.840 3.309 9.238 1.00 0.00 C ATOM 1314 C CYS A 92 -10.915 3.808 8.277 1.00 0.00 C ATOM 1315 O CYS A 92 -11.803 3.054 7.878 1.00 0.00 O ATOM 1316 CB CYS A 92 -8.481 3.288 8.534 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.563 4.841 8.656 1.00 0.00 S ATOM 0 H CYS A 92 -10.837 1.466 9.172 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.792 3.991 10.087 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.876 2.487 8.958 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.633 3.050 7.481 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.981 5.091 7.521 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.828 5.082 7.911 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.794 5.683 6.997 1.00 0.00 C ATOM 1325 C GLN A 93 -11.433 5.377 5.546 1.00 0.00 C ATOM 1326 O GLN A 93 -10.263 5.176 5.217 1.00 0.00 O ATOM 1327 CB GLN A 93 -11.856 7.197 7.211 1.00 0.00 C ATOM 1328 CG GLN A 93 -12.887 7.620 8.244 1.00 0.00 C ATOM 1329 CD GLN A 93 -14.298 7.632 7.690 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -14.512 8.407 6.632 1.00 0.00 O flip ATOM 1331 NE2 GLN A 93 -15.186 6.952 8.205 1.00 0.00 N flip ATOM 0 H GLN A 93 -10.099 5.719 8.233 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.773 5.253 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.874 7.553 7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.084 7.681 6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.841 6.942 9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.638 8.614 8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.977 6.371 9.017 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.130 6.970 7.820 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.436 5.337 4.653 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.218 5.053 3.230 1.00 0.00 C ATOM 1342 C PRO A 94 -11.208 6.006 2.599 1.00 0.00 C ATOM 1343 O PRO A 94 -10.912 7.067 3.149 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.602 5.253 2.605 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.561 5.063 3.728 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.861 5.562 4.960 1.00 0.00 C ATOM 0 HA PRO A 94 -11.808 4.055 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.698 6.247 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.782 4.534 1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.483 5.617 3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.835 4.013 3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -14.072 6.616 5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -14.172 5.015 5.850 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.682 5.619 1.441 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.706 6.439 0.733 1.00 0.00 C ATOM 1356 C LYS A 95 -8.460 6.662 1.585 1.00 0.00 C ATOM 1357 O LYS A 95 -7.898 7.757 1.606 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.323 7.785 0.346 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.397 7.677 -0.723 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.789 7.643 -0.113 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.866 7.858 -1.166 1.00 0.00 C ATOM 1362 NZ LYS A 95 -14.946 8.760 -0.680 1.00 0.00 N ATOM 0 H LYS A 95 -10.915 4.743 0.973 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.413 5.908 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.752 8.247 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.534 8.448 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.318 8.523 -1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.235 6.775 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.948 6.684 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.870 8.413 0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.416 8.281 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.295 6.897 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.660 8.881 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.393 8.344 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.541 9.686 -0.435 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.033 5.617 2.286 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.853 5.700 3.138 1.00 0.00 C ATOM 1378 C TYR A 96 -6.139 4.354 3.210 1.00 0.00 C ATOM 1379 O TYR A 96 -4.922 4.277 3.040 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.245 6.159 4.544 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.619 7.622 4.621 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.752 8.605 4.162 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.840 8.018 5.152 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -7.092 9.943 4.230 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -9.186 9.354 5.223 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.310 10.313 4.761 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.651 11.643 4.830 1.00 0.00 O ATOM 0 H TYR A 96 -8.486 4.703 2.281 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.171 6.430 2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -8.086 5.559 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.415 5.969 5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.797 8.320 3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.530 7.270 5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.407 10.696 3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.139 9.646 5.639 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.542 11.732 5.229 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.902 3.296 3.460 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.324 1.968 3.548 1.00 0.00 C ATOM 1399 C GLY A 97 -5.849 1.453 2.204 1.00 0.00 C ATOM 1400 O GLY A 97 -6.648 1.274 1.283 1.00 0.00 O ATOM 0 H GLY A 97 -7.911 3.334 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.485 1.985 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -7.063 1.279 3.957 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.547 1.215 2.089 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.967 0.719 0.846 1.00 0.00 C ATOM 1406 C LEU A 98 -3.106 -0.514 1.101 1.00 0.00 C ATOM 1407 O LEU A 98 -2.485 -0.643 2.155 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.129 1.812 0.178 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.634 1.478 -1.230 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.738 1.701 -2.251 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.410 2.312 -1.574 1.00 0.00 C ATOM 0 H LEU A 98 -3.873 1.357 2.841 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.783 0.438 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.722 2.726 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.266 2.024 0.809 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.352 0.425 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.367 1.458 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.588 1.061 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.052 2.744 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.070 2.062 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.667 3.370 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.614 2.102 -0.859 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.073 -1.418 0.128 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.289 -2.642 0.244 1.00 0.00 C ATOM 1425 C PHE A 99 -1.279 -2.751 -0.893 1.00 0.00 C ATOM 1426 O PHE A 99 -1.574 -2.393 -2.034 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.208 -3.865 0.245 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.782 -4.184 1.595 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -3.015 -4.824 2.556 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -5.091 -3.846 1.904 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.541 -5.119 3.798 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.623 -4.139 3.145 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.847 -4.776 4.094 1.00 0.00 C ATOM 0 H PHE A 99 -3.581 -1.326 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.744 -2.606 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.024 -3.696 -0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.650 -4.729 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.994 -5.095 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.702 -3.348 1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.932 -5.618 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.644 -3.870 3.373 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.260 -5.006 5.065 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.088 -3.249 -0.576 1.00 0.00 N ATOM 1444 CA ALA A 100 0.963 -3.405 -1.573 1.00 0.00 C ATOM 1445 C ALA A 100 1.849 -4.610 -1.256 1.00 0.00 C ATOM 1446 O ALA A 100 2.052 -4.948 -0.090 1.00 0.00 O ATOM 1447 CB ALA A 100 1.802 -2.139 -1.657 1.00 0.00 C ATOM 0 H ALA A 100 0.172 -3.551 0.363 1.00 0.00 H new ATOM 0 HA ALA A 100 0.490 -3.580 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.583 -2.269 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.166 -1.299 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.258 -1.940 -0.687 1.00 0.00 H new ATOM 1453 N PRO A 101 2.390 -5.274 -2.293 1.00 0.00 N ATOM 1454 CA PRO A 101 3.256 -6.442 -2.114 1.00 0.00 C ATOM 1455 C PRO A 101 4.498 -6.115 -1.293 1.00 0.00 C ATOM 1456 O PRO A 101 5.097 -5.051 -1.455 1.00 0.00 O ATOM 1457 CB PRO A 101 3.653 -6.833 -3.542 1.00 0.00 C ATOM 1458 CG PRO A 101 2.647 -6.181 -4.426 1.00 0.00 C ATOM 1459 CD PRO A 101 2.201 -4.937 -3.714 1.00 0.00 C ATOM 0 HA PRO A 101 2.748 -7.239 -1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.661 -6.492 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.645 -7.915 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.081 -5.939 -5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.804 -6.846 -4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.796 -4.072 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.161 -4.697 -3.936 1.00 0.00 H new ATOM 1467 N VAL A 102 4.881 -7.034 -0.411 1.00 0.00 N ATOM 1468 CA VAL A 102 6.052 -6.839 0.437 1.00 0.00 C ATOM 1469 C VAL A 102 7.281 -6.457 -0.387 1.00 0.00 C ATOM 1470 O VAL A 102 7.935 -5.451 -0.109 1.00 0.00 O ATOM 1471 CB VAL A 102 6.371 -8.099 1.266 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.368 -8.259 2.399 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.391 -9.341 0.385 1.00 0.00 C ATOM 0 H VAL A 102 4.398 -7.920 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 102 5.809 -6.022 1.116 1.00 0.00 H new ATOM 0 HB VAL A 102 7.364 -7.979 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.608 -9.153 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.413 -7.386 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.364 -8.352 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.618 -10.216 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.416 -9.470 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.153 -9.228 -0.386 1.00 0.00 H new ATOM 1483 N HIS A 103 7.588 -7.261 -1.401 1.00 0.00 N ATOM 1484 CA HIS A 103 8.737 -7.001 -2.259 1.00 0.00 C ATOM 1485 C HIS A 103 8.635 -5.628 -2.919 1.00 0.00 C ATOM 1486 O HIS A 103 9.646 -5.030 -3.287 1.00 0.00 O ATOM 1487 CB HIS A 103 8.860 -8.090 -3.330 1.00 0.00 C ATOM 1488 CG HIS A 103 7.742 -8.089 -4.326 1.00 0.00 C ATOM 1489 ND1 HIS A 103 6.401 -8.191 -4.136 1.00 0.00 N flip ATOM 1490 CD2 HIS A 103 7.926 -7.980 -5.686 1.00 0.00 C flip ATOM 1491 CE1 HIS A 103 5.761 -8.145 -5.371 1.00 0.00 C flip ATOM 1492 NE2 HIS A 103 6.719 -8.017 -6.268 1.00 0.00 N flip ATOM 0 H HIS A 103 7.057 -8.096 -1.647 1.00 0.00 H new ATOM 0 HA HIS A 103 9.630 -7.013 -1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.805 -7.961 -3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.898 -9.064 -2.842 1.00 0.00 H new ATOM 0 HD2 HIS A 103 8.874 -7.882 -6.194 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.699 -8.202 -5.556 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.562 -7.954 -7.274 1.00 0.00 H new ATOM 1500 N LYS A 104 7.409 -5.132 -3.063 1.00 0.00 N ATOM 1501 CA LYS A 104 7.182 -3.829 -3.676 1.00 0.00 C ATOM 1502 C LYS A 104 7.382 -2.707 -2.662 1.00 0.00 C ATOM 1503 O LYS A 104 7.726 -1.582 -3.026 1.00 0.00 O ATOM 1504 CB LYS A 104 5.771 -3.757 -4.266 1.00 0.00 C ATOM 1505 CG LYS A 104 5.749 -3.754 -5.786 1.00 0.00 C ATOM 1506 CD LYS A 104 5.490 -5.145 -6.344 1.00 0.00 C ATOM 1507 CE LYS A 104 4.514 -5.106 -7.509 1.00 0.00 C ATOM 1508 NZ LYS A 104 4.279 -6.460 -8.082 1.00 0.00 N ATOM 0 H LYS A 104 6.560 -5.612 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 104 7.909 -3.701 -4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.191 -4.605 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.279 -2.855 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.977 -3.070 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.701 -3.381 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.431 -5.588 -6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.093 -5.786 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.566 -4.684 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.901 -4.446 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.608 -6.390 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.179 -6.853 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.886 -7.084 -7.349 1.00 0.00 H new ATOM 1522 N VAL A 105 7.168 -3.018 -1.387 1.00 0.00 N ATOM 1523 CA VAL A 105 7.327 -2.032 -0.324 1.00 0.00 C ATOM 1524 C VAL A 105 8.778 -1.573 -0.216 1.00 0.00 C ATOM 1525 O VAL A 105 9.686 -2.386 -0.052 1.00 0.00 O ATOM 1526 CB VAL A 105 6.874 -2.592 1.037 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.933 -1.514 2.109 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.471 -3.172 0.934 1.00 0.00 C ATOM 0 H VAL A 105 6.885 -3.944 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 105 6.696 -1.182 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 105 7.556 -3.392 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.609 -1.931 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.956 -1.149 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.277 -0.689 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.167 -3.563 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.776 -2.391 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.463 -3.977 0.200 1.00 0.00 H new ATOM 1538 N THR A 106 8.987 -0.264 -0.311 1.00 0.00 N ATOM 1539 CA THR A 106 10.326 0.306 -0.224 1.00 0.00 C ATOM 1540 C THR A 106 10.469 1.175 1.022 1.00 0.00 C ATOM 1541 O THR A 106 10.019 2.320 1.047 1.00 0.00 O ATOM 1542 CB THR A 106 10.635 1.133 -1.473 1.00 0.00 C ATOM 1543 OG1 THR A 106 9.787 0.759 -2.545 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.065 0.990 -1.948 1.00 0.00 C ATOM 0 H THR A 106 8.245 0.422 -0.448 1.00 0.00 H new ATOM 0 HA THR A 106 11.038 -0.516 -0.156 1.00 0.00 H new ATOM 0 HB THR A 106 10.469 2.170 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.877 1.077 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.216 1.603 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.744 1.318 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.266 -0.054 -2.188 1.00 0.00 H new ATOM 1552 N LYS A 107 11.096 0.621 2.055 1.00 0.00 N ATOM 1553 CA LYS A 107 11.298 1.347 3.305 1.00 0.00 C ATOM 1554 C LYS A 107 12.187 2.566 3.087 1.00 0.00 C ATOM 1555 O LYS A 107 13.337 2.441 2.667 1.00 0.00 O ATOM 1556 CB LYS A 107 11.920 0.429 4.358 1.00 0.00 C ATOM 1557 CG LYS A 107 11.450 0.721 5.773 1.00 0.00 C ATOM 1558 CD LYS A 107 12.561 0.501 6.787 1.00 0.00 C ATOM 1559 CE LYS A 107 13.337 1.783 7.051 1.00 0.00 C ATOM 1560 NZ LYS A 107 13.751 1.900 8.477 1.00 0.00 N ATOM 0 H LYS A 107 11.473 -0.327 2.052 1.00 0.00 H new ATOM 0 HA LYS A 107 10.325 1.687 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.683 -0.606 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.005 0.526 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.098 1.751 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.603 0.080 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.135 0.133 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.241 -0.269 6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.221 1.810 6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.722 2.641 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.277 2.787 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.907 1.900 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.359 1.095 8.729 1.00 0.00 H new ATOM 1574 N ILE A 108 11.647 3.745 3.375 1.00 0.00 N ATOM 1575 CA ILE A 108 12.391 4.988 3.211 1.00 0.00 C ATOM 1576 C ILE A 108 13.603 5.029 4.136 1.00 0.00 C ATOM 1577 O ILE A 108 13.558 4.523 5.256 1.00 0.00 O ATOM 1578 CB ILE A 108 11.505 6.217 3.490 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.183 6.109 2.726 1.00 0.00 C ATOM 1580 CG2 ILE A 108 12.240 7.495 3.113 1.00 0.00 C ATOM 1581 CD1 ILE A 108 8.965 6.377 3.584 1.00 0.00 C ATOM 0 H ILE A 108 10.696 3.866 3.723 1.00 0.00 H new ATOM 0 HA ILE A 108 12.726 5.020 2.174 1.00 0.00 H new ATOM 0 HB ILE A 108 11.282 6.250 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.194 6.814 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.102 5.111 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.602 8.355 3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.155 7.576 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.491 7.471 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.065 6.283 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.929 5.656 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.023 7.386 3.993 1.00 0.00 H new