USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 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 : no HE2:sc= -4.91! C(o=-4.9!,f=-5.6!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 176: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+ 179:sc= 0 (180deg=-0.00108) USER MOD Single : A 61 THR OG1 : rot -132:sc= 0.0852 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -6:sc= -5.47! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -2.01 X(o=-2,f=-1.6) USER MOD Single : A 87 THR OG1 : rot -130:sc= -0.0479 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.248 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 92 CYS SG : rot -110:sc= -1.4 USER MOD Single : A 93 GLN : amide:sc=-0.00838 X(o=-0.0084,f=-0.23) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00664) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.751 -5.335 6.531 1.00 0.00 N ATOM 522 CA LEU A 39 8.930 -4.238 7.033 1.00 0.00 C ATOM 523 C LEU A 39 8.744 -4.344 8.543 1.00 0.00 C ATOM 524 O LEU A 39 9.346 -5.198 9.195 1.00 0.00 O ATOM 525 CB LEU A 39 7.564 -4.235 6.344 1.00 0.00 C ATOM 526 CG LEU A 39 7.605 -4.277 4.814 1.00 0.00 C ATOM 527 CD1 LEU A 39 6.264 -4.727 4.256 1.00 0.00 C ATOM 528 CD2 LEU A 39 7.989 -2.915 4.255 1.00 0.00 C ATOM 0 HA LEU A 39 9.446 -3.304 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.994 -5.093 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.021 -3.341 6.653 1.00 0.00 H new ATOM 0 HG LEU A 39 8.362 -5.000 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.312 -4.751 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.030 -5.723 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.487 -4.030 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.014 -2.962 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.255 -2.173 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.974 -2.633 4.628 1.00 0.00 H new ATOM 540 N LYS A 40 7.906 -3.471 9.091 1.00 0.00 N ATOM 541 CA LYS A 40 7.637 -3.465 10.525 1.00 0.00 C ATOM 542 C LYS A 40 6.581 -2.420 10.871 1.00 0.00 C ATOM 543 O LYS A 40 6.524 -1.354 10.259 1.00 0.00 O ATOM 544 CB LYS A 40 8.922 -3.191 11.308 1.00 0.00 C ATOM 545 CG LYS A 40 9.042 -4.011 12.583 1.00 0.00 C ATOM 546 CD LYS A 40 10.460 -3.983 13.131 1.00 0.00 C ATOM 547 CE LYS A 40 10.622 -2.923 14.211 1.00 0.00 C ATOM 548 NZ LYS A 40 11.079 -3.509 15.500 1.00 0.00 N ATOM 0 H LYS A 40 7.401 -2.758 8.564 1.00 0.00 H new ATOM 0 HA LYS A 40 7.257 -4.448 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.779 -3.401 10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.965 -2.132 11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.353 -3.623 13.333 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.748 -5.041 12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.712 -4.961 13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.161 -3.787 12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.340 -2.173 13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.672 -2.410 14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.177 -2.754 16.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.382 -4.206 15.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.998 -3.976 15.363 1.00 0.00 H new ATOM 562 N ILE A 41 5.746 -2.734 11.856 1.00 0.00 N ATOM 563 CA ILE A 41 4.690 -1.823 12.281 1.00 0.00 C ATOM 564 C ILE A 41 5.269 -0.606 12.995 1.00 0.00 C ATOM 565 O ILE A 41 5.719 -0.700 14.138 1.00 0.00 O ATOM 566 CB ILE A 41 3.686 -2.523 13.216 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.236 -3.856 12.613 1.00 0.00 C ATOM 568 CG2 ILE A 41 2.487 -1.623 13.475 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.626 -3.721 11.236 1.00 0.00 C ATOM 0 H ILE A 41 5.780 -3.612 12.374 1.00 0.00 H new ATOM 0 HA ILE A 41 4.170 -1.499 11.379 1.00 0.00 H new ATOM 0 HB ILE A 41 4.179 -2.724 14.167 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.092 -4.528 12.558 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.509 -4.320 13.280 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.787 -2.132 14.137 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.821 -0.697 13.943 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.993 -1.395 12.531 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.330 -4.705 10.871 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.750 -3.075 11.288 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.358 -3.286 10.555 1.00 0.00 H new ATOM 581 N GLY A 42 5.254 0.535 12.314 1.00 0.00 N ATOM 582 CA GLY A 42 5.781 1.755 12.900 1.00 0.00 C ATOM 583 C GLY A 42 6.753 2.470 11.982 1.00 0.00 C ATOM 584 O GLY A 42 6.951 3.679 12.100 1.00 0.00 O ATOM 0 H GLY A 42 4.887 0.637 11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.955 2.424 13.141 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.282 1.516 13.838 1.00 0.00 H new ATOM 588 N ASP A 43 7.364 1.723 11.067 1.00 0.00 N ATOM 589 CA ASP A 43 8.321 2.297 10.128 1.00 0.00 C ATOM 590 C ASP A 43 7.632 2.727 8.837 1.00 0.00 C ATOM 591 O ASP A 43 6.812 1.994 8.285 1.00 0.00 O ATOM 592 CB ASP A 43 9.429 1.287 9.818 1.00 0.00 C ATOM 593 CG ASP A 43 10.697 1.561 10.603 1.00 0.00 C ATOM 594 OD1 ASP A 43 11.187 2.710 10.557 1.00 0.00 O ATOM 595 OD2 ASP A 43 11.198 0.629 11.266 1.00 0.00 O ATOM 0 H ASP A 43 7.213 0.720 10.956 1.00 0.00 H new ATOM 0 HA ASP A 43 8.761 3.180 10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.074 0.282 10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.652 1.313 8.751 1.00 0.00 H new ATOM 600 N ARG A 44 7.970 3.922 8.361 1.00 0.00 N ATOM 601 CA ARG A 44 7.386 4.450 7.134 1.00 0.00 C ATOM 602 C ARG A 44 7.874 3.666 5.919 1.00 0.00 C ATOM 603 O ARG A 44 8.957 3.080 5.941 1.00 0.00 O ATOM 604 CB ARG A 44 7.736 5.930 6.973 1.00 0.00 C ATOM 605 CG ARG A 44 6.993 6.840 7.938 1.00 0.00 C ATOM 606 CD ARG A 44 7.449 8.284 7.804 1.00 0.00 C ATOM 607 NE ARG A 44 6.556 9.208 8.499 1.00 0.00 N ATOM 608 CZ ARG A 44 5.389 9.621 8.011 1.00 0.00 C ATOM 609 NH1 ARG A 44 4.969 9.194 6.827 1.00 0.00 N ATOM 610 NH2 ARG A 44 4.638 10.463 8.710 1.00 0.00 N ATOM 0 H ARG A 44 8.646 4.542 8.807 1.00 0.00 H new ATOM 0 HA ARG A 44 6.303 4.345 7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.809 6.059 7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.513 6.238 5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.922 6.776 7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.156 6.499 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.458 8.384 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.498 8.552 6.749 1.00 0.00 H new ATOM 0 HE ARG A 44 6.844 9.557 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.542 8.546 6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.074 9.514 6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.955 10.794 9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.743 10.780 8.336 1.00 0.00 H new ATOM 624 N VAL A 45 7.068 3.660 4.862 1.00 0.00 N ATOM 625 CA VAL A 45 7.422 2.948 3.640 1.00 0.00 C ATOM 626 C VAL A 45 6.888 3.671 2.407 1.00 0.00 C ATOM 627 O VAL A 45 5.918 4.426 2.488 1.00 0.00 O ATOM 628 CB VAL A 45 6.876 1.508 3.650 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.674 0.639 4.610 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.398 1.499 4.012 1.00 0.00 C ATOM 0 H VAL A 45 6.168 4.139 4.827 1.00 0.00 H new ATOM 0 HA VAL A 45 8.511 2.917 3.598 1.00 0.00 H new ATOM 0 HB VAL A 45 6.983 1.092 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.273 -0.374 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.719 0.618 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.603 1.050 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.030 0.473 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.263 1.935 5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.840 2.083 3.280 1.00 0.00 H new ATOM 640 N LEU A 46 7.527 3.433 1.266 1.00 0.00 N ATOM 641 CA LEU A 46 7.117 4.059 0.015 1.00 0.00 C ATOM 642 C LEU A 46 6.789 3.005 -1.037 1.00 0.00 C ATOM 643 O LEU A 46 7.608 2.137 -1.337 1.00 0.00 O ATOM 644 CB LEU A 46 8.221 4.985 -0.502 1.00 0.00 C ATOM 645 CG LEU A 46 7.833 5.848 -1.703 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.785 6.877 -1.305 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.060 6.533 -2.285 1.00 0.00 C ATOM 0 H LEU A 46 8.331 2.811 1.182 1.00 0.00 H new ATOM 0 HA LEU A 46 6.220 4.647 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.534 5.640 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.085 4.379 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 46 7.405 5.201 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.521 7.482 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.896 6.366 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.186 7.521 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.765 7.143 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.517 7.168 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.778 5.780 -2.608 1.00 0.00 H new ATOM 659 N VAL A 47 5.584 3.084 -1.592 1.00 0.00 N ATOM 660 CA VAL A 47 5.147 2.135 -2.609 1.00 0.00 C ATOM 661 C VAL A 47 4.926 2.830 -3.950 1.00 0.00 C ATOM 662 O VAL A 47 4.147 3.779 -4.048 1.00 0.00 O ATOM 663 CB VAL A 47 3.849 1.420 -2.188 1.00 0.00 C ATOM 664 CG1 VAL A 47 2.717 2.421 -2.005 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.468 0.354 -3.205 1.00 0.00 C ATOM 0 H VAL A 47 4.893 3.796 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 47 5.940 1.395 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 47 4.026 0.929 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.810 1.894 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.989 3.140 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.540 2.946 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.549 -0.139 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.314 0.819 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.268 -0.383 -3.277 1.00 0.00 H new ATOM 675 N GLY A 48 5.614 2.350 -4.980 1.00 0.00 N ATOM 676 CA GLY A 48 5.479 2.936 -6.301 1.00 0.00 C ATOM 677 C GLY A 48 6.448 4.080 -6.531 1.00 0.00 C ATOM 678 O GLY A 48 7.163 4.104 -7.532 1.00 0.00 O ATOM 0 H GLY A 48 6.263 1.565 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.645 2.166 -7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.459 3.296 -6.433 1.00 0.00 H new ATOM 682 N GLY A 49 6.471 5.029 -5.601 1.00 0.00 N ATOM 683 CA GLY A 49 7.362 6.168 -5.724 1.00 0.00 C ATOM 684 C GLY A 49 6.624 7.492 -5.676 1.00 0.00 C ATOM 685 O GLY A 49 6.965 8.426 -6.401 1.00 0.00 O ATOM 0 H GLY A 49 5.888 5.030 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.098 6.137 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.911 6.096 -6.663 1.00 0.00 H new ATOM 689 N THR A 50 5.610 7.570 -4.821 1.00 0.00 N ATOM 690 CA THR A 50 4.820 8.788 -4.680 1.00 0.00 C ATOM 691 C THR A 50 3.884 8.690 -3.480 1.00 0.00 C ATOM 692 O THR A 50 3.734 9.644 -2.717 1.00 0.00 O ATOM 693 CB THR A 50 4.012 9.048 -5.952 1.00 0.00 C ATOM 694 OG1 THR A 50 3.691 7.830 -6.601 1.00 0.00 O ATOM 695 CG2 THR A 50 4.736 9.924 -6.953 1.00 0.00 C ATOM 0 H THR A 50 5.316 6.804 -4.215 1.00 0.00 H new ATOM 0 HA THR A 50 5.505 9.620 -4.518 1.00 0.00 H new ATOM 0 HB THR A 50 3.113 9.568 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.173 8.018 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.107 10.069 -7.832 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.954 10.891 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.669 9.444 -7.249 1.00 0.00 H new ATOM 703 N LYS A 51 3.255 7.530 -3.320 1.00 0.00 N ATOM 704 CA LYS A 51 2.333 7.305 -2.213 1.00 0.00 C ATOM 705 C LYS A 51 3.068 6.746 -0.999 1.00 0.00 C ATOM 706 O LYS A 51 3.629 5.651 -1.051 1.00 0.00 O ATOM 707 CB LYS A 51 1.220 6.346 -2.636 1.00 0.00 C ATOM 708 CG LYS A 51 0.495 6.774 -3.902 1.00 0.00 C ATOM 709 CD LYS A 51 -0.476 5.705 -4.376 1.00 0.00 C ATOM 710 CE LYS A 51 -1.498 6.272 -5.347 1.00 0.00 C ATOM 711 NZ LYS A 51 -0.861 6.762 -6.601 1.00 0.00 N ATOM 0 H LYS A 51 3.367 6.731 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 51 1.892 8.263 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.645 5.354 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.497 6.261 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.046 7.702 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.222 6.980 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.076 4.898 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.989 5.272 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.233 5.505 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.037 7.090 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.594 7.125 -7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.190 7.524 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.354 5.979 -7.061 1.00 0.00 H new ATOM 725 N ALA A 52 3.060 7.505 0.092 1.00 0.00 N ATOM 726 CA ALA A 52 3.725 7.085 1.319 1.00 0.00 C ATOM 727 C ALA A 52 2.725 6.926 2.458 1.00 0.00 C ATOM 728 O ALA A 52 1.603 7.428 2.388 1.00 0.00 O ATOM 729 CB ALA A 52 4.807 8.085 1.700 1.00 0.00 C ATOM 0 H ALA A 52 2.600 8.414 0.151 1.00 0.00 H new ATOM 0 HA ALA A 52 4.188 6.115 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.296 7.760 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.544 8.147 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.357 9.066 1.856 1.00 0.00 H new ATOM 735 N GLY A 53 3.138 6.225 3.508 1.00 0.00 N ATOM 736 CA GLY A 53 2.266 6.011 4.648 1.00 0.00 C ATOM 737 C GLY A 53 2.915 5.168 5.727 1.00 0.00 C ATOM 738 O GLY A 53 3.958 4.555 5.501 1.00 0.00 O ATOM 0 H GLY A 53 4.062 5.801 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.980 6.975 5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.350 5.524 4.314 1.00 0.00 H new ATOM 742 N VAL A 54 2.297 5.136 6.903 1.00 0.00 N ATOM 743 CA VAL A 54 2.820 4.361 8.021 1.00 0.00 C ATOM 744 C VAL A 54 2.235 2.953 8.037 1.00 0.00 C ATOM 745 O VAL A 54 1.089 2.742 7.637 1.00 0.00 O ATOM 746 CB VAL A 54 2.519 5.044 9.368 1.00 0.00 C ATOM 747 CG1 VAL A 54 3.241 4.332 10.502 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.906 6.514 9.320 1.00 0.00 C ATOM 0 H VAL A 54 1.433 5.638 7.106 1.00 0.00 H new ATOM 0 HA VAL A 54 3.900 4.301 7.885 1.00 0.00 H new ATOM 0 HB VAL A 54 1.447 4.980 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.016 4.829 11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.909 3.295 10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.316 4.361 10.324 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.686 6.980 10.281 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.972 6.603 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.338 7.014 8.536 1.00 0.00 H new ATOM 758 N VAL A 55 3.027 1.993 8.500 1.00 0.00 N ATOM 759 CA VAL A 55 2.586 0.604 8.567 1.00 0.00 C ATOM 760 C VAL A 55 1.701 0.368 9.786 1.00 0.00 C ATOM 761 O VAL A 55 2.091 0.663 10.916 1.00 0.00 O ATOM 762 CB VAL A 55 3.783 -0.363 8.622 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.313 -1.803 8.482 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.799 -0.019 7.542 1.00 0.00 C ATOM 0 H VAL A 55 3.978 2.150 8.835 1.00 0.00 H new ATOM 0 HA VAL A 55 2.013 0.410 7.661 1.00 0.00 H new ATOM 0 HB VAL A 55 4.268 -0.256 9.592 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.173 -2.472 8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.627 -2.043 9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.802 -1.928 7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.638 -0.713 7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.328 -0.095 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.160 0.998 7.693 1.00 0.00 H new ATOM 774 N ARG A 56 0.508 -0.167 9.550 1.00 0.00 N ATOM 775 CA ARG A 56 -0.432 -0.444 10.629 1.00 0.00 C ATOM 776 C ARG A 56 -0.663 -1.944 10.777 1.00 0.00 C ATOM 777 O ARG A 56 -0.797 -2.454 11.890 1.00 0.00 O ATOM 778 CB ARG A 56 -1.764 0.264 10.368 1.00 0.00 C ATOM 779 CG ARG A 56 -1.616 1.752 10.083 1.00 0.00 C ATOM 780 CD ARG A 56 -2.444 2.592 11.042 1.00 0.00 C ATOM 781 NE ARG A 56 -1.737 3.800 11.461 1.00 0.00 N ATOM 782 CZ ARG A 56 -2.087 4.538 12.512 1.00 0.00 C ATOM 783 NH1 ARG A 56 -3.134 4.195 13.253 1.00 0.00 N ATOM 784 NH2 ARG A 56 -1.388 5.621 12.824 1.00 0.00 N ATOM 0 H ARG A 56 0.169 -0.417 8.621 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.002 -0.066 11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.260 -0.212 9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.413 0.131 11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.567 2.036 10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.924 1.959 9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.383 2.869 10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.697 1.997 11.920 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.927 4.095 10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.674 3.362 13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.398 4.764 14.057 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.582 5.888 12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.656 6.187 13.629 1.00 0.00 H new ATOM 798 N PHE A 57 -0.710 -2.646 9.651 1.00 0.00 N ATOM 799 CA PHE A 57 -0.925 -4.089 9.656 1.00 0.00 C ATOM 800 C PHE A 57 0.048 -4.787 8.711 1.00 0.00 C ATOM 801 O PHE A 57 0.615 -4.162 7.814 1.00 0.00 O ATOM 802 CB PHE A 57 -2.364 -4.412 9.253 1.00 0.00 C ATOM 803 CG PHE A 57 -2.776 -5.821 9.573 1.00 0.00 C ATOM 804 CD1 PHE A 57 -3.295 -6.139 10.818 1.00 0.00 C ATOM 805 CD2 PHE A 57 -2.642 -6.826 8.629 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.674 -7.435 11.115 1.00 0.00 C ATOM 807 CE2 PHE A 57 -3.020 -8.124 8.921 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.536 -8.428 10.165 1.00 0.00 C ATOM 0 H PHE A 57 -0.602 -2.239 8.722 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.747 -4.454 10.667 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.038 -3.721 9.759 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.479 -4.243 8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.405 -5.366 11.564 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.238 -6.593 7.655 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.077 -7.671 12.089 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.912 -8.899 8.177 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.831 -9.441 10.395 1.00 0.00 H new ATOM 818 N LEU A 58 0.236 -6.086 8.918 1.00 0.00 N ATOM 819 CA LEU A 58 1.140 -6.871 8.084 1.00 0.00 C ATOM 820 C LEU A 58 0.819 -8.359 8.186 1.00 0.00 C ATOM 821 O LEU A 58 0.923 -8.955 9.257 1.00 0.00 O ATOM 822 CB LEU A 58 2.592 -6.622 8.496 1.00 0.00 C ATOM 823 CG LEU A 58 3.633 -7.420 7.709 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.965 -6.720 6.401 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.890 -7.621 8.542 1.00 0.00 C ATOM 0 H LEU A 58 -0.225 -6.618 9.656 1.00 0.00 H new ATOM 0 HA LEU A 58 1.004 -6.558 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.809 -5.560 8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.699 -6.858 9.555 1.00 0.00 H new ATOM 0 HG LEU A 58 3.214 -8.399 7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.707 -7.302 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.061 -6.627 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.365 -5.728 6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.620 -8.191 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.312 -6.651 8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.640 -8.166 9.452 1.00 0.00 H new ATOM 837 N GLY A 59 0.429 -8.951 7.062 1.00 0.00 N ATOM 838 CA GLY A 59 0.099 -10.365 7.046 1.00 0.00 C ATOM 839 C GLY A 59 -0.447 -10.819 5.707 1.00 0.00 C ATOM 840 O GLY A 59 -0.269 -10.141 4.695 1.00 0.00 O ATOM 0 H GLY A 59 0.336 -8.478 6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.990 -10.945 7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.636 -10.572 7.824 1.00 0.00 H new ATOM 844 N GLU A 60 -1.114 -11.969 5.701 1.00 0.00 N ATOM 845 CA GLU A 60 -1.688 -12.513 4.476 1.00 0.00 C ATOM 846 C GLU A 60 -2.965 -11.770 4.097 1.00 0.00 C ATOM 847 O GLU A 60 -3.628 -11.180 4.950 1.00 0.00 O ATOM 848 CB GLU A 60 -1.983 -14.004 4.645 1.00 0.00 C ATOM 849 CG GLU A 60 -0.739 -14.849 4.871 1.00 0.00 C ATOM 850 CD GLU A 60 -1.007 -16.057 5.747 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.503 -15.872 6.878 1.00 0.00 O ATOM 852 OE2 GLU A 60 -0.720 -17.189 5.303 1.00 0.00 O ATOM 0 H GLU A 60 -1.270 -12.542 6.531 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.961 -12.382 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.661 -14.138 5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.502 -14.366 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.350 -15.182 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.034 -14.235 5.332 1.00 0.00 H new ATOM 859 N THR A 61 -3.304 -11.805 2.812 1.00 0.00 N ATOM 860 CA THR A 61 -4.503 -11.136 2.319 1.00 0.00 C ATOM 861 C THR A 61 -5.567 -12.152 1.918 1.00 0.00 C ATOM 862 O THR A 61 -5.383 -13.358 2.083 1.00 0.00 O ATOM 863 CB THR A 61 -4.160 -10.242 1.128 1.00 0.00 C ATOM 864 OG1 THR A 61 -3.070 -10.776 0.397 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.796 -8.827 1.526 1.00 0.00 C ATOM 0 H THR A 61 -2.766 -12.289 2.094 1.00 0.00 H new ATOM 0 HA THR A 61 -4.901 -10.519 3.124 1.00 0.00 H new ATOM 0 HB THR A 61 -5.065 -10.210 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.413 -10.069 0.226 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.564 -8.246 0.633 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.635 -8.369 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.926 -8.846 2.183 1.00 0.00 H new ATOM 873 N ASP A 62 -6.682 -11.656 1.389 1.00 0.00 N ATOM 874 CA ASP A 62 -7.776 -12.521 0.963 1.00 0.00 C ATOM 875 C ASP A 62 -8.116 -12.284 -0.505 1.00 0.00 C ATOM 876 O ASP A 62 -9.280 -12.345 -0.900 1.00 0.00 O ATOM 877 CB ASP A 62 -9.012 -12.277 1.831 1.00 0.00 C ATOM 878 CG ASP A 62 -9.870 -13.519 1.976 1.00 0.00 C ATOM 879 OD1 ASP A 62 -10.522 -13.909 0.985 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.888 -14.102 3.080 1.00 0.00 O ATOM 0 H ASP A 62 -6.851 -10.660 1.245 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.456 -13.556 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.698 -11.938 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.608 -11.476 1.393 1.00 0.00 H new ATOM 885 N PHE A 63 -7.092 -12.013 -1.307 1.00 0.00 N ATOM 886 CA PHE A 63 -7.283 -11.766 -2.732 1.00 0.00 C ATOM 887 C PHE A 63 -6.026 -12.125 -3.520 1.00 0.00 C ATOM 888 O PHE A 63 -6.098 -12.791 -4.552 1.00 0.00 O ATOM 889 CB PHE A 63 -7.649 -10.301 -2.973 1.00 0.00 C ATOM 890 CG PHE A 63 -6.684 -9.331 -2.350 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.566 -8.902 -3.047 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.898 -8.848 -1.069 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.678 -8.010 -2.477 1.00 0.00 C ATOM 894 CE2 PHE A 63 -6.013 -7.957 -0.494 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.901 -7.537 -1.199 1.00 0.00 C ATOM 0 H PHE A 63 -6.122 -11.959 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.100 -12.399 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.694 -10.118 -4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.647 -10.114 -2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.387 -9.269 -4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.766 -9.172 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.810 -7.683 -3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.190 -7.589 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.208 -6.840 -0.751 1.00 0.00 H new ATOM 905 N ALA A 64 -4.876 -11.678 -3.026 1.00 0.00 N ATOM 906 CA ALA A 64 -3.605 -11.952 -3.685 1.00 0.00 C ATOM 907 C ALA A 64 -2.810 -13.010 -2.925 1.00 0.00 C ATOM 908 O ALA A 64 -3.066 -13.267 -1.749 1.00 0.00 O ATOM 909 CB ALA A 64 -2.792 -10.673 -3.815 1.00 0.00 C ATOM 0 H ALA A 64 -4.798 -11.125 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.817 -12.339 -4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.845 -10.892 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.349 -9.946 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.598 -10.263 -2.824 1.00 0.00 H new ATOM 915 N LYS A 65 -1.845 -13.620 -3.606 1.00 0.00 N ATOM 916 CA LYS A 65 -1.013 -14.650 -2.995 1.00 0.00 C ATOM 917 C LYS A 65 0.239 -14.040 -2.374 1.00 0.00 C ATOM 918 O LYS A 65 0.562 -12.877 -2.618 1.00 0.00 O ATOM 919 CB LYS A 65 -0.625 -15.704 -4.036 1.00 0.00 C ATOM 920 CG LYS A 65 -1.338 -17.033 -3.850 1.00 0.00 C ATOM 921 CD LYS A 65 -0.605 -18.163 -4.557 1.00 0.00 C ATOM 922 CE LYS A 65 -0.607 -19.434 -3.724 1.00 0.00 C ATOM 923 NZ LYS A 65 0.456 -20.383 -4.157 1.00 0.00 N ATOM 0 H LYS A 65 -1.620 -13.419 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.590 -15.129 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.846 -15.318 -5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.451 -15.869 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.417 -17.259 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.354 -16.959 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.076 -18.357 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.423 -17.861 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.461 -19.180 -2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.580 -19.918 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.421 -21.237 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.303 -20.645 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.387 -19.930 -4.058 1.00 0.00 H new ATOM 937 N GLY A 66 0.942 -14.832 -1.572 1.00 0.00 N ATOM 938 CA GLY A 66 2.151 -14.353 -0.928 1.00 0.00 C ATOM 939 C GLY A 66 1.863 -13.580 0.344 1.00 0.00 C ATOM 940 O GLY A 66 1.043 -13.998 1.161 1.00 0.00 O ATOM 0 H GLY A 66 0.696 -15.798 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.796 -15.201 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.700 -13.715 -1.621 1.00 0.00 H new ATOM 944 N GLU A 67 2.543 -12.450 0.513 1.00 0.00 N ATOM 945 CA GLU A 67 2.357 -11.616 1.695 1.00 0.00 C ATOM 946 C GLU A 67 2.209 -10.149 1.307 1.00 0.00 C ATOM 947 O GLU A 67 3.012 -9.614 0.542 1.00 0.00 O ATOM 948 CB GLU A 67 3.537 -11.785 2.655 1.00 0.00 C ATOM 949 CG GLU A 67 3.213 -11.410 4.091 1.00 0.00 C ATOM 950 CD GLU A 67 4.336 -10.644 4.761 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.513 -11.000 4.538 1.00 0.00 O ATOM 952 OE2 GLU A 67 4.040 -9.689 5.510 1.00 0.00 O ATOM 0 H GLU A 67 3.227 -12.091 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 67 1.442 -11.936 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.872 -12.822 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.368 -11.172 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.305 -10.807 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.005 -12.316 4.661 1.00 0.00 H new ATOM 959 N TRP A 68 1.174 -9.503 1.836 1.00 0.00 N ATOM 960 CA TRP A 68 0.922 -8.097 1.543 1.00 0.00 C ATOM 961 C TRP A 68 0.956 -7.259 2.816 1.00 0.00 C ATOM 962 O TRP A 68 0.563 -7.722 3.887 1.00 0.00 O ATOM 963 CB TRP A 68 -0.432 -7.936 0.849 1.00 0.00 C ATOM 964 CG TRP A 68 -0.443 -8.451 -0.558 1.00 0.00 C ATOM 965 CD1 TRP A 68 -0.101 -9.706 -0.974 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.811 -7.723 -1.735 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.235 -9.804 -2.338 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.670 -8.600 -2.827 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.248 -6.418 -1.972 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.949 -8.210 -4.136 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.525 -6.032 -3.270 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.375 -6.927 -4.338 1.00 0.00 C ATOM 0 H TRP A 68 0.498 -9.930 2.469 1.00 0.00 H new ATOM 0 HA TRP A 68 1.710 -7.744 0.878 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.193 -8.461 1.426 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.707 -6.881 0.844 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.227 -10.505 -0.325 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.042 -10.636 -2.895 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.368 -5.722 -1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.833 -8.897 -4.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.862 -5.025 -3.464 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.601 -6.596 -5.341 1.00 0.00 H new ATOM 983 N CYS A 69 1.430 -6.023 2.691 1.00 0.00 N ATOM 984 CA CYS A 69 1.516 -5.118 3.832 1.00 0.00 C ATOM 985 C CYS A 69 0.360 -4.124 3.827 1.00 0.00 C ATOM 986 O CYS A 69 0.176 -3.377 2.867 1.00 0.00 O ATOM 987 CB CYS A 69 2.849 -4.368 3.813 1.00 0.00 C ATOM 988 SG CYS A 69 3.331 -3.682 5.416 1.00 0.00 S ATOM 0 H CYS A 69 1.760 -5.626 1.812 1.00 0.00 H new ATOM 0 HA CYS A 69 1.454 -5.714 4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.631 -5.046 3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.788 -3.558 3.086 1.00 0.00 H new ATOM 0 HG CYS A 69 2.364 -3.851 6.269 1.00 0.00 H new ATOM 994 N GLY A 70 -0.416 -4.121 4.906 1.00 0.00 N ATOM 995 CA GLY A 70 -1.544 -3.213 5.004 1.00 0.00 C ATOM 996 C GLY A 70 -1.144 -1.843 5.516 1.00 0.00 C ATOM 997 O GLY A 70 -1.318 -1.539 6.696 1.00 0.00 O ATOM 0 H GLY A 70 -0.284 -4.730 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.009 -3.109 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.294 -3.641 5.669 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.606 -1.015 4.626 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.179 0.330 4.994 1.00 0.00 C ATOM 1003 C VAL A 71 -1.332 1.322 4.878 1.00 0.00 C ATOM 1004 O VAL A 71 -2.079 1.310 3.899 1.00 0.00 O ATOM 1005 CB VAL A 71 0.987 0.811 4.111 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.547 2.124 4.635 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.073 -0.250 4.038 1.00 0.00 C ATOM 0 H VAL A 71 -0.456 -1.252 3.645 1.00 0.00 H new ATOM 0 HA VAL A 71 0.156 0.284 6.030 1.00 0.00 H new ATOM 0 HB VAL A 71 0.610 0.981 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.370 2.448 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.764 2.882 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.909 1.984 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.889 0.107 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.449 -0.455 5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.660 -1.164 3.612 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.469 2.181 5.883 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.531 3.181 5.894 1.00 0.00 C ATOM 1019 C GLU A 72 -2.002 4.538 5.441 1.00 0.00 C ATOM 1020 O GLU A 72 -1.194 5.162 6.129 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.136 3.297 7.294 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.437 4.084 7.331 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.247 5.500 7.839 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.462 5.689 8.791 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.884 6.421 7.285 1.00 0.00 O ATOM 0 H GLU A 72 -0.858 2.205 6.700 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.306 2.862 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.315 2.296 7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.413 3.775 7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.867 4.116 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.153 3.566 7.969 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.463 4.988 4.279 1.00 0.00 N ATOM 1033 CA LEU A 73 -2.037 6.271 3.733 1.00 0.00 C ATOM 1034 C LEU A 73 -2.667 7.426 4.505 1.00 0.00 C ATOM 1035 O LEU A 73 -3.791 7.318 4.995 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.409 6.369 2.251 1.00 0.00 C ATOM 1037 CG LEU A 73 -2.100 5.120 1.424 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.559 5.305 -0.014 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.612 4.803 1.473 1.00 0.00 C ATOM 0 H LEU A 73 -3.132 4.483 3.697 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.954 6.338 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.475 6.584 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.880 7.216 1.814 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.645 4.279 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.331 4.406 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.634 5.484 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.042 6.157 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.410 3.911 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.047 5.643 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.311 4.627 2.506 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.936 8.531 4.607 1.00 0.00 N ATOM 1052 CA ASP A 74 -2.424 9.707 5.318 1.00 0.00 C ATOM 1053 C ASP A 74 -2.992 10.735 4.344 1.00 0.00 C ATOM 1054 O ASP A 74 -2.896 11.941 4.574 1.00 0.00 O ATOM 1055 CB ASP A 74 -1.297 10.334 6.142 1.00 0.00 C ATOM 1056 CG ASP A 74 -1.772 10.823 7.496 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -2.666 11.695 7.532 1.00 0.00 O ATOM 1058 OD2 ASP A 74 -1.251 10.333 8.520 1.00 0.00 O ATOM 0 H ASP A 74 -1.004 8.637 4.206 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.222 9.391 5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.502 9.601 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.867 11.168 5.588 1.00 0.00 H new ATOM 1063 N GLU A 75 -3.584 10.250 3.259 1.00 0.00 N ATOM 1064 CA GLU A 75 -4.167 11.127 2.250 1.00 0.00 C ATOM 1065 C GLU A 75 -5.275 10.411 1.481 1.00 0.00 C ATOM 1066 O GLU A 75 -5.336 9.181 1.465 1.00 0.00 O ATOM 1067 CB GLU A 75 -3.087 11.610 1.278 1.00 0.00 C ATOM 1068 CG GLU A 75 -2.280 12.786 1.804 1.00 0.00 C ATOM 1069 CD GLU A 75 -1.326 13.348 0.768 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -1.616 13.217 -0.439 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -0.289 13.919 1.165 1.00 0.00 O ATOM 0 H GLU A 75 -3.673 9.255 3.055 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.600 11.988 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.410 10.784 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.557 11.894 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.961 13.572 2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.714 12.471 2.681 1.00 0.00 H new ATOM 1078 N PRO A 76 -6.171 11.174 0.832 1.00 0.00 N ATOM 1079 CA PRO A 76 -7.281 10.606 0.060 1.00 0.00 C ATOM 1080 C PRO A 76 -6.804 9.909 -1.211 1.00 0.00 C ATOM 1081 O PRO A 76 -7.147 10.316 -2.321 1.00 0.00 O ATOM 1082 CB PRO A 76 -8.135 11.828 -0.286 1.00 0.00 C ATOM 1083 CG PRO A 76 -7.185 12.974 -0.263 1.00 0.00 C ATOM 1084 CD PRO A 76 -6.172 12.649 0.800 1.00 0.00 C ATOM 0 HA PRO A 76 -7.818 9.840 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.601 11.720 -1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.939 11.966 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.705 13.103 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.703 13.906 -0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.188 13.046 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.452 13.072 1.765 1.00 0.00 H new ATOM 1092 N LEU A 77 -6.010 8.856 -1.040 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.486 8.102 -2.173 1.00 0.00 C ATOM 1094 C LEU A 77 -5.932 6.644 -2.115 1.00 0.00 C ATOM 1095 O LEU A 77 -6.219 6.031 -3.143 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.958 8.179 -2.200 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.380 9.595 -2.183 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.867 9.554 -2.042 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.781 10.347 -3.444 1.00 0.00 C ATOM 0 H LEU A 77 -5.716 8.506 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.883 8.546 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.567 7.633 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.599 7.667 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.788 10.124 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.475 10.571 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.602 9.054 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.438 9.008 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.362 11.353 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.401 9.819 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.868 10.408 -3.501 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.987 6.093 -0.905 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.398 4.710 -0.737 1.00 0.00 C ATOM 1113 C GLY A 78 -7.758 4.427 -1.346 1.00 0.00 C ATOM 1114 O GLY A 78 -8.376 5.311 -1.941 1.00 0.00 O ATOM 0 H GLY A 78 -5.755 6.579 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.656 4.056 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.423 4.469 0.326 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.223 3.190 -1.199 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.517 2.791 -1.741 1.00 0.00 C ATOM 1120 C LYS A 79 -10.372 2.119 -0.670 1.00 0.00 C ATOM 1121 O LYS A 79 -11.560 2.412 -0.537 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.325 1.845 -2.928 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.503 2.518 -4.279 1.00 0.00 C ATOM 1124 CD LYS A 79 -9.336 1.529 -5.421 1.00 0.00 C ATOM 1125 CE LYS A 79 -9.558 2.193 -6.770 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.314 1.313 -7.705 1.00 0.00 N ATOM 0 H LYS A 79 -7.723 2.448 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.034 3.688 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.327 1.410 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.036 1.023 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.492 2.973 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.776 3.323 -4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.336 1.098 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.042 0.707 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.103 3.127 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.595 2.449 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.444 1.802 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.782 0.433 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.244 1.089 -7.296 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.759 1.217 0.090 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.466 0.503 1.149 1.00 0.00 C ATOM 1142 C ASN A 80 -10.122 1.077 2.519 1.00 0.00 C ATOM 1143 O ASN A 80 -9.006 1.546 2.744 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.127 -0.991 1.107 1.00 0.00 C ATOM 1145 CG ASN A 80 -8.652 -1.250 0.867 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -8.257 -1.714 -0.203 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -7.827 -0.953 1.865 1.00 0.00 N ATOM 0 H ASN A 80 -8.776 0.963 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.536 0.629 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.424 -1.453 2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.709 -1.469 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.824 -1.108 1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.196 -0.570 2.735 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.089 1.037 3.430 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.892 1.554 4.780 1.00 0.00 C ATOM 1156 C ASP A 81 -10.391 0.458 5.716 1.00 0.00 C ATOM 1157 O ASP A 81 -10.946 0.244 6.794 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.197 2.145 5.316 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.344 1.154 5.267 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.322 0.180 6.048 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.264 1.352 4.445 1.00 0.00 O ATOM 0 H ASP A 81 -12.018 0.652 3.258 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.137 2.339 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.048 2.474 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.459 3.028 4.734 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.337 -0.234 5.296 1.00 0.00 N ATOM 1167 CA GLY A 82 -8.776 -1.299 6.108 1.00 0.00 C ATOM 1168 C GLY A 82 -9.307 -2.666 5.721 1.00 0.00 C ATOM 1169 O GLY A 82 -8.571 -3.652 5.740 1.00 0.00 O ATOM 0 H GLY A 82 -8.861 -0.077 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.690 -1.293 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.002 -1.109 7.157 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.589 -2.725 5.371 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.215 -3.980 4.979 1.00 0.00 C ATOM 1175 C ALA A 83 -11.093 -4.211 3.476 1.00 0.00 C ATOM 1176 O ALA A 83 -11.422 -3.336 2.675 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.677 -3.994 5.400 1.00 0.00 C ATOM 0 H ALA A 83 -11.213 -1.918 5.351 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.693 -4.791 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.133 -4.938 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.745 -3.885 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.202 -3.169 4.919 1.00 0.00 H new ATOM 1183 N VAL A 84 -10.616 -5.394 3.100 1.00 0.00 N ATOM 1184 CA VAL A 84 -10.450 -5.739 1.694 1.00 0.00 C ATOM 1185 C VAL A 84 -11.117 -7.071 1.372 1.00 0.00 C ATOM 1186 O VAL A 84 -10.889 -8.072 2.052 1.00 0.00 O ATOM 1187 CB VAL A 84 -8.961 -5.816 1.307 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -8.808 -5.977 -0.198 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.217 -4.584 1.797 1.00 0.00 C ATOM 0 H VAL A 84 -10.338 -6.129 3.750 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.928 -4.948 1.116 1.00 0.00 H new ATOM 0 HB VAL A 84 -8.524 -6.691 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.749 -6.030 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.304 -6.893 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.261 -5.124 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.167 -4.657 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -8.653 -3.692 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.297 -4.518 2.882 1.00 0.00 H new ATOM 1199 N ALA A 85 -11.942 -7.079 0.329 1.00 0.00 N ATOM 1200 CA ALA A 85 -12.641 -8.288 -0.087 1.00 0.00 C ATOM 1201 C ALA A 85 -13.485 -8.857 1.050 1.00 0.00 C ATOM 1202 O ALA A 85 -13.728 -10.062 1.112 1.00 0.00 O ATOM 1203 CB ALA A 85 -11.647 -9.329 -0.580 1.00 0.00 C ATOM 0 H ALA A 85 -12.142 -6.259 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 85 -13.312 -8.025 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.183 -10.227 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.092 -8.929 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.953 -9.578 0.223 1.00 0.00 H new ATOM 1209 N GLY A 86 -13.930 -7.983 1.947 1.00 0.00 N ATOM 1210 CA GLY A 86 -14.741 -8.419 3.067 1.00 0.00 C ATOM 1211 C GLY A 86 -13.923 -8.654 4.322 1.00 0.00 C ATOM 1212 O GLY A 86 -14.430 -8.525 5.435 1.00 0.00 O ATOM 0 H GLY A 86 -13.743 -6.981 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.505 -7.669 3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.260 -9.339 2.799 1.00 0.00 H new ATOM 1216 N THR A 87 -12.652 -9.002 4.142 1.00 0.00 N ATOM 1217 CA THR A 87 -11.763 -9.255 5.269 1.00 0.00 C ATOM 1218 C THR A 87 -11.316 -7.946 5.913 1.00 0.00 C ATOM 1219 O THR A 87 -10.978 -6.986 5.220 1.00 0.00 O ATOM 1220 CB THR A 87 -10.543 -10.055 4.814 1.00 0.00 C ATOM 1221 OG1 THR A 87 -10.908 -11.014 3.836 1.00 0.00 O ATOM 1222 CG2 THR A 87 -9.853 -10.790 5.942 1.00 0.00 C ATOM 0 H THR A 87 -12.216 -9.115 3.227 1.00 0.00 H new ATOM 0 HA THR A 87 -12.313 -9.835 6.010 1.00 0.00 H new ATOM 0 HB THR A 87 -9.851 -9.318 4.406 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.547 -11.890 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.996 -11.337 5.549 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.514 -10.073 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.551 -11.490 6.401 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.321 -7.914 7.242 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.918 -6.722 7.980 1.00 0.00 C ATOM 1232 C ARG A 88 -9.461 -6.820 8.421 1.00 0.00 C ATOM 1233 O ARG A 88 -8.939 -7.914 8.636 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.824 -6.523 9.197 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.316 -5.094 9.361 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.812 -5.044 9.630 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.306 -3.672 9.729 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.591 -3.355 9.863 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -16.516 -4.306 9.914 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.955 -2.082 9.947 1.00 0.00 N ATOM 0 H ARG A 88 -11.600 -8.700 7.830 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.017 -5.862 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.684 -7.187 9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.282 -6.817 10.096 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.782 -4.617 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.089 -4.525 8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.341 -5.563 8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.032 -5.576 10.556 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.626 -2.913 9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.243 -5.287 9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.499 -4.056 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.250 -1.346 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.940 -1.839 10.050 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.811 -5.669 8.556 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.414 -5.624 8.972 1.00 0.00 C ATOM 1256 C TYR A 89 -7.182 -4.504 9.981 1.00 0.00 C ATOM 1257 O TYR A 89 -6.903 -4.758 11.152 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.505 -5.430 7.759 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.627 -6.530 6.728 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.742 -6.613 5.903 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.629 -7.485 6.581 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -7.858 -7.618 4.961 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.738 -8.492 5.641 1.00 0.00 C ATOM 1264 CZ TYR A 89 -6.854 -8.554 4.833 1.00 0.00 C ATOM 1265 OH TYR A 89 -6.967 -9.556 3.897 1.00 0.00 O ATOM 0 H TYR A 89 -9.229 -4.755 8.383 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.173 -6.574 9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.740 -4.475 7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.470 -5.373 8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.530 -5.881 5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.753 -7.440 7.212 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.731 -7.670 4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.953 -9.227 5.540 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.494 -9.235 3.136 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.299 -3.263 9.518 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.101 -2.104 10.381 1.00 0.00 C ATOM 1277 C PHE A 90 -8.180 -1.053 10.139 1.00 0.00 C ATOM 1278 O PHE A 90 -8.190 -0.386 9.105 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.718 -1.495 10.143 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.424 -1.222 8.695 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -4.922 -2.220 7.877 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.649 0.034 8.154 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.650 -1.972 6.545 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.379 0.289 6.823 1.00 0.00 C ATOM 1285 CZ PHE A 90 -4.879 -0.716 6.017 1.00 0.00 C ATOM 0 H PHE A 90 -7.530 -3.035 8.551 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.171 -2.438 11.416 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.639 -0.563 10.703 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.959 -2.170 10.538 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.741 -3.204 8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.040 0.823 8.780 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.259 -2.759 5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.558 1.272 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.668 -0.520 4.976 1.00 0.00 H new ATOM 1295 N GLN A 91 -9.084 -0.911 11.101 1.00 0.00 N ATOM 1296 CA GLN A 91 -10.168 0.059 10.995 1.00 0.00 C ATOM 1297 C GLN A 91 -9.622 1.477 10.858 1.00 0.00 C ATOM 1298 O GLN A 91 -8.854 1.941 11.701 1.00 0.00 O ATOM 1299 CB GLN A 91 -11.084 -0.032 12.218 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.519 0.378 11.934 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.774 1.842 12.231 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.650 2.288 13.372 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -13.134 2.601 11.201 1.00 0.00 N ATOM 0 H GLN A 91 -9.088 -1.455 11.964 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.744 -0.176 10.100 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.075 -1.055 12.593 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.684 0.602 13.010 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.751 0.177 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.194 -0.234 12.533 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.225 2.190 10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.319 3.594 11.340 1.00 0.00 H new ATOM 1312 N CYS A 92 -10.025 2.160 9.792 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.577 3.525 9.545 1.00 0.00 C ATOM 1314 C CYS A 92 -10.617 4.303 8.744 1.00 0.00 C ATOM 1315 O CYS A 92 -11.669 3.771 8.393 1.00 0.00 O ATOM 1316 CB CYS A 92 -8.241 3.520 8.800 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.086 4.798 9.351 1.00 0.00 S ATOM 0 H CYS A 92 -10.661 1.790 9.085 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.445 4.017 10.509 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.772 2.544 8.923 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.430 3.651 7.735 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.958 5.698 8.421 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.314 5.566 8.459 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.223 6.417 7.699 1.00 0.00 C ATOM 1325 C GLN A 93 -11.200 6.051 6.216 1.00 0.00 C ATOM 1326 O GLN A 93 -10.168 5.637 5.686 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.847 7.888 7.878 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.444 8.521 9.125 1.00 0.00 C ATOM 1329 CD GLN A 93 -10.750 9.812 9.512 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -9.522 9.874 9.586 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -11.535 10.854 9.764 1.00 0.00 N ATOM 0 H GLN A 93 -9.447 6.022 8.743 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.232 6.258 8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.761 7.974 7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.177 8.448 7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.503 8.718 8.957 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.379 7.815 9.953 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.548 10.759 9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.125 11.749 10.031 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.342 6.200 5.523 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.446 5.884 4.094 1.00 0.00 C ATOM 1342 C PRO A 94 -11.404 6.621 3.260 1.00 0.00 C ATOM 1343 O PRO A 94 -11.016 7.743 3.585 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.856 6.353 3.722 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.614 6.341 5.004 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.619 6.687 6.075 1.00 0.00 C ATOM 0 HA PRO A 94 -12.271 4.826 3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.838 7.351 3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.312 5.690 2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.430 7.063 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.059 5.363 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.591 7.760 6.267 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.860 6.201 7.020 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.955 5.983 2.184 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.959 6.579 1.301 1.00 0.00 C ATOM 1356 C LYS A 95 -8.678 6.903 2.066 1.00 0.00 C ATOM 1357 O LYS A 95 -8.293 8.066 2.188 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.517 7.846 0.650 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.905 7.664 0.058 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.829 8.811 0.438 1.00 0.00 C ATOM 1361 CE LYS A 95 -12.670 9.990 -0.508 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.370 9.761 -1.803 1.00 0.00 N ATOM 0 H LYS A 95 -11.265 5.053 1.902 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.720 5.856 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.550 8.643 1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.835 8.171 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.833 7.598 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.330 6.723 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.863 8.467 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.615 9.130 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.065 10.890 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.611 10.166 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.281 10.608 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.943 8.947 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.376 9.568 -1.624 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.022 5.867 2.578 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.785 6.043 3.330 1.00 0.00 C ATOM 1378 C TYR A 96 -6.001 4.736 3.400 1.00 0.00 C ATOM 1379 O TYR A 96 -4.791 4.715 3.172 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.090 6.545 4.743 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.460 8.009 4.798 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.632 8.975 4.240 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.637 8.426 5.406 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.967 10.316 4.289 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.981 9.763 5.457 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.142 10.705 4.897 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.479 12.038 4.945 1.00 0.00 O ATOM 0 H TYR A 96 -8.326 4.898 2.486 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.176 6.784 2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.907 5.956 5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.219 6.375 5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.712 8.674 3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.295 7.692 5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.311 11.055 3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.901 10.069 5.932 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.337 12.142 5.406 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.697 3.650 3.717 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.049 2.356 3.812 1.00 0.00 C ATOM 1399 C GLY A 97 -5.650 1.805 2.457 1.00 0.00 C ATOM 1400 O GLY A 97 -6.448 1.806 1.520 1.00 0.00 O ATOM 0 H GLY A 97 -7.699 3.643 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.163 2.442 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.721 1.652 4.303 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.411 1.335 2.353 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.907 0.778 1.103 1.00 0.00 C ATOM 1406 C LEU A 98 -3.135 -0.512 1.355 1.00 0.00 C ATOM 1407 O LEU A 98 -2.571 -0.710 2.430 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.009 1.793 0.393 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.835 1.563 -1.109 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.946 2.252 -1.885 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.472 2.062 -1.569 1.00 0.00 C ATOM 0 H LEU A 98 -3.738 1.329 3.119 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.761 0.551 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.421 2.790 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.026 1.778 0.864 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.893 0.492 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.807 2.078 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.910 1.850 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.919 3.323 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.364 1.891 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.386 3.129 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.688 1.524 -1.035 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.116 -1.389 0.355 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.414 -2.662 0.467 1.00 0.00 C ATOM 1425 C PHE A 99 -1.415 -2.833 -0.673 1.00 0.00 C ATOM 1426 O PHE A 99 -1.668 -2.411 -1.801 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.413 -3.821 0.463 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.811 -4.277 1.838 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -4.688 -3.526 2.604 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.308 -5.456 2.363 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.056 -3.943 3.869 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -3.672 -5.879 3.627 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.548 -5.121 4.380 1.00 0.00 C ATOM 0 H PHE A 99 -3.579 -1.241 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.867 -2.666 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.306 -3.518 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.979 -4.662 -0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.088 -2.604 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.623 -6.052 1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.740 -3.349 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.273 -6.800 4.025 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.835 -5.450 5.368 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.280 -3.454 -0.371 1.00 0.00 N ATOM 1444 CA ALA A 100 0.755 -3.681 -1.372 1.00 0.00 C ATOM 1445 C ALA A 100 1.698 -4.803 -0.943 1.00 0.00 C ATOM 1446 O ALA A 100 1.978 -4.967 0.244 1.00 0.00 O ATOM 1447 CB ALA A 100 1.536 -2.400 -1.621 1.00 0.00 C ATOM 0 H ALA A 100 -0.054 -3.809 0.558 1.00 0.00 H new ATOM 0 HA ALA A 100 0.269 -3.985 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.306 -2.583 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.859 -1.625 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.004 -2.073 -0.693 1.00 0.00 H new ATOM 1453 N PRO A 101 2.204 -5.593 -1.907 1.00 0.00 N ATOM 1454 CA PRO A 101 3.120 -6.699 -1.616 1.00 0.00 C ATOM 1455 C PRO A 101 4.379 -6.228 -0.899 1.00 0.00 C ATOM 1456 O PRO A 101 4.948 -5.190 -1.241 1.00 0.00 O ATOM 1457 CB PRO A 101 3.477 -7.257 -2.998 1.00 0.00 C ATOM 1458 CG PRO A 101 2.400 -6.777 -3.909 1.00 0.00 C ATOM 1459 CD PRO A 101 1.926 -5.467 -3.348 1.00 0.00 C ATOM 0 HA PRO A 101 2.664 -7.435 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.455 -6.902 -3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.522 -8.346 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.777 -6.652 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.583 -7.497 -3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.460 -4.625 -3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.865 -5.308 -3.540 1.00 0.00 H new ATOM 1467 N VAL A 102 4.813 -6.995 0.096 1.00 0.00 N ATOM 1468 CA VAL A 102 6.007 -6.651 0.860 1.00 0.00 C ATOM 1469 C VAL A 102 7.200 -6.405 -0.061 1.00 0.00 C ATOM 1470 O VAL A 102 7.890 -5.393 0.060 1.00 0.00 O ATOM 1471 CB VAL A 102 6.369 -7.756 1.872 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.366 -7.781 3.015 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.442 -9.111 1.187 1.00 0.00 C ATOM 0 H VAL A 102 4.356 -7.858 0.392 1.00 0.00 H new ATOM 0 HA VAL A 102 5.778 -5.735 1.404 1.00 0.00 H new ATOM 0 HB VAL A 102 7.353 -7.534 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.637 -8.567 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.372 -6.818 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.369 -7.976 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.699 -9.876 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.476 -9.346 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.204 -9.084 0.408 1.00 0.00 H new ATOM 1483 N HIS A 103 7.433 -7.333 -0.984 1.00 0.00 N ATOM 1484 CA HIS A 103 8.538 -7.212 -1.927 1.00 0.00 C ATOM 1485 C HIS A 103 8.432 -5.917 -2.726 1.00 0.00 C ATOM 1486 O HIS A 103 9.438 -5.361 -3.165 1.00 0.00 O ATOM 1487 CB HIS A 103 8.562 -8.412 -2.877 1.00 0.00 C ATOM 1488 CG HIS A 103 7.345 -8.514 -3.744 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.351 -8.295 -5.103 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.064 -8.824 -3.420 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.102 -8.472 -5.554 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.283 -8.795 -4.572 1.00 0.00 N ATOM 0 H HIS A 103 6.871 -8.177 -1.099 1.00 0.00 H new ATOM 0 HA HIS A 103 9.467 -7.191 -1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.446 -8.345 -3.512 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.659 -9.326 -2.292 1.00 0.00 H new ATOM 0 HD1 HIS A 103 8.163 -8.043 -5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.708 -9.056 -2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.805 -8.364 -6.587 1.00 0.00 H new ATOM 1500 N LYS A 104 7.204 -5.440 -2.907 1.00 0.00 N ATOM 1501 CA LYS A 104 6.965 -4.209 -3.650 1.00 0.00 C ATOM 1502 C LYS A 104 7.137 -2.989 -2.747 1.00 0.00 C ATOM 1503 O LYS A 104 7.431 -1.891 -3.221 1.00 0.00 O ATOM 1504 CB LYS A 104 5.560 -4.219 -4.256 1.00 0.00 C ATOM 1505 CG LYS A 104 5.554 -4.384 -5.767 1.00 0.00 C ATOM 1506 CD LYS A 104 4.436 -5.308 -6.224 1.00 0.00 C ATOM 1507 CE LYS A 104 4.401 -5.437 -7.737 1.00 0.00 C ATOM 1508 NZ LYS A 104 3.872 -6.760 -8.170 1.00 0.00 N ATOM 0 H LYS A 104 6.360 -5.888 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 104 7.698 -4.149 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.985 -5.029 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.055 -3.288 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.437 -3.409 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.514 -4.784 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.572 -6.293 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.479 -4.926 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.781 -4.644 -8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.406 -5.300 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.801 -6.783 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.515 -7.512 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.930 -6.910 -7.755 1.00 0.00 H new ATOM 1522 N VAL A 105 6.954 -3.190 -1.444 1.00 0.00 N ATOM 1523 CA VAL A 105 7.093 -2.107 -0.479 1.00 0.00 C ATOM 1524 C VAL A 105 8.561 -1.783 -0.225 1.00 0.00 C ATOM 1525 O VAL A 105 9.400 -2.681 -0.147 1.00 0.00 O ATOM 1526 CB VAL A 105 6.418 -2.456 0.861 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.401 -1.247 1.782 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.008 -2.980 0.627 1.00 0.00 C ATOM 0 H VAL A 105 6.710 -4.092 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 105 6.599 -1.236 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 105 6.997 -3.242 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.920 -1.513 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.423 -0.923 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.847 -0.437 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.546 -3.222 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.416 -2.218 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.051 -3.876 0.008 1.00 0.00 H new ATOM 1538 N THR A 106 8.865 -0.497 -0.096 1.00 0.00 N ATOM 1539 CA THR A 106 10.233 -0.055 0.149 1.00 0.00 C ATOM 1540 C THR A 106 10.328 0.714 1.462 1.00 0.00 C ATOM 1541 O THR A 106 9.476 1.547 1.769 1.00 0.00 O ATOM 1542 CB THR A 106 10.723 0.821 -1.006 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.251 0.324 -2.246 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.230 0.911 -1.091 1.00 0.00 C ATOM 0 H THR A 106 8.182 0.259 -0.157 1.00 0.00 H new ATOM 0 HA THR A 106 10.867 -0.939 0.219 1.00 0.00 H new ATOM 0 HB THR A 106 10.327 1.816 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.573 0.898 -2.972 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.510 1.547 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.622 1.337 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.646 -0.086 -1.236 1.00 0.00 H new ATOM 1552 N LYS A 107 11.373 0.432 2.234 1.00 0.00 N ATOM 1553 CA LYS A 107 11.581 1.099 3.514 1.00 0.00 C ATOM 1554 C LYS A 107 12.352 2.402 3.326 1.00 0.00 C ATOM 1555 O LYS A 107 13.361 2.441 2.622 1.00 0.00 O ATOM 1556 CB LYS A 107 12.335 0.178 4.477 1.00 0.00 C ATOM 1557 CG LYS A 107 11.462 -0.385 5.589 1.00 0.00 C ATOM 1558 CD LYS A 107 12.083 -0.155 6.959 1.00 0.00 C ATOM 1559 CE LYS A 107 13.367 -0.953 7.133 1.00 0.00 C ATOM 1560 NZ LYS A 107 13.228 -2.007 8.174 1.00 0.00 N ATOM 0 H LYS A 107 12.089 -0.254 1.995 1.00 0.00 H new ATOM 0 HA LYS A 107 10.605 1.333 3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.768 -0.648 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.164 0.730 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.478 0.082 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.314 -1.453 5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.293 0.906 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.371 -0.437 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.639 -1.414 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.179 -0.279 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.124 -2.528 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.993 -1.565 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.470 -2.665 7.903 1.00 0.00 H new ATOM 1574 N ILE A 108 11.872 3.466 3.960 1.00 0.00 N ATOM 1575 CA ILE A 108 12.518 4.769 3.861 1.00 0.00 C ATOM 1576 C ILE A 108 13.389 5.043 5.082 1.00 0.00 C ATOM 1577 O ILE A 108 12.978 4.801 6.218 1.00 0.00 O ATOM 1578 CB ILE A 108 11.485 5.903 3.718 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.428 5.535 2.675 1.00 0.00 C ATOM 1580 CG2 ILE A 108 12.178 7.203 3.338 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.227 6.458 2.679 1.00 0.00 C ATOM 0 H ILE A 108 11.038 3.452 4.548 1.00 0.00 H new ATOM 0 HA ILE A 108 13.142 4.744 2.968 1.00 0.00 H new ATOM 0 HB ILE A 108 10.987 6.043 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.885 5.551 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.092 4.514 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.436 7.996 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.897 7.472 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.698 7.074 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.519 6.137 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.746 6.424 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.551 7.477 2.469 1.00 0.00 H new