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 Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0369) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -172:sc= -0.237 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -8:sc= -1.72 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= -0.166 (180deg=-0.617) USER MOD Single : A 80 ASN : amide:sc= -0.0293 K(o=-0.029,f=-0.68) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0281 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 CYS SG : rot -122:sc= 1.48 USER MOD Single : A 93 GLN : amide:sc=-0.00176 X(o=-0.0018,f=0) 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 103 HIS : no HD1:sc= -2.69 K(o=-2.7,f=-4.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.214 -6.217 8.017 1.00 0.00 N ATOM 522 CA LEU A 39 8.756 -4.901 8.446 1.00 0.00 C ATOM 523 C LEU A 39 7.916 -5.004 9.715 1.00 0.00 C ATOM 524 O LEU A 39 7.416 -6.077 10.055 1.00 0.00 O ATOM 525 CB LEU A 39 7.942 -4.234 7.336 1.00 0.00 C ATOM 526 CG LEU A 39 8.643 -4.151 5.979 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.631 -4.247 4.848 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.445 -2.862 5.872 1.00 0.00 C ATOM 0 HA LEU A 39 9.634 -4.291 8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.008 -4.782 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.680 -3.225 7.655 1.00 0.00 H new ATOM 0 HG LEU A 39 9.331 -4.992 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.148 -4.186 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.101 -5.197 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.917 -3.427 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.937 -2.819 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.776 -2.008 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.197 -2.835 6.661 1.00 0.00 H new ATOM 540 N LYS A 40 7.766 -3.883 10.411 1.00 0.00 N ATOM 541 CA LYS A 40 6.986 -3.847 11.644 1.00 0.00 C ATOM 542 C LYS A 40 6.002 -2.682 11.629 1.00 0.00 C ATOM 543 O LYS A 40 6.096 -1.788 10.788 1.00 0.00 O ATOM 544 CB LYS A 40 7.913 -3.735 12.856 1.00 0.00 C ATOM 545 CG LYS A 40 7.451 -4.551 14.052 1.00 0.00 C ATOM 546 CD LYS A 40 8.403 -4.402 15.228 1.00 0.00 C ATOM 547 CE LYS A 40 7.674 -4.543 16.556 1.00 0.00 C ATOM 548 NZ LYS A 40 7.011 -5.870 16.686 1.00 0.00 N ATOM 0 H LYS A 40 8.174 -2.987 10.143 1.00 0.00 H new ATOM 0 HA LYS A 40 6.420 -4.776 11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.913 -4.060 12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.990 -2.688 13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.452 -4.231 14.348 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.379 -5.602 13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.187 -5.156 15.160 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.891 -3.429 15.181 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.381 -4.408 17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.928 -3.754 16.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.612 -5.967 17.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.248 -5.947 15.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.709 -6.624 16.524 1.00 0.00 H new ATOM 562 N ILE A 41 5.058 -2.700 12.565 1.00 0.00 N ATOM 563 CA ILE A 41 4.057 -1.645 12.658 1.00 0.00 C ATOM 564 C ILE A 41 4.618 -0.413 13.361 1.00 0.00 C ATOM 565 O ILE A 41 4.983 -0.469 14.536 1.00 0.00 O ATOM 566 CB ILE A 41 2.803 -2.126 13.413 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.343 -3.481 12.873 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.687 -1.098 13.298 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.049 -3.472 11.389 1.00 0.00 C ATOM 0 H ILE A 41 4.966 -3.433 13.268 1.00 0.00 H new ATOM 0 HA ILE A 41 3.780 -1.382 11.637 1.00 0.00 H new ATOM 0 HB ILE A 41 3.056 -2.243 14.467 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.113 -4.225 13.078 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.447 -3.792 13.411 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.808 -1.453 13.837 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.018 -0.152 13.727 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.434 -0.951 12.248 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.728 -4.465 11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.258 -2.752 11.179 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.949 -3.192 10.841 1.00 0.00 H new ATOM 581 N GLY A 42 4.686 0.697 12.635 1.00 0.00 N ATOM 582 CA GLY A 42 5.204 1.927 13.205 1.00 0.00 C ATOM 583 C GLY A 42 6.112 2.673 12.247 1.00 0.00 C ATOM 584 O GLY A 42 6.095 3.903 12.195 1.00 0.00 O ATOM 0 H GLY A 42 4.391 0.767 11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.372 2.571 13.488 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.754 1.697 14.118 1.00 0.00 H new ATOM 588 N ASP A 43 6.909 1.927 11.488 1.00 0.00 N ATOM 589 CA ASP A 43 7.830 2.525 10.528 1.00 0.00 C ATOM 590 C ASP A 43 7.088 2.980 9.275 1.00 0.00 C ATOM 591 O ASP A 43 5.961 2.559 9.021 1.00 0.00 O ATOM 592 CB ASP A 43 8.927 1.528 10.151 1.00 0.00 C ATOM 593 CG ASP A 43 9.854 1.223 11.312 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.383 0.639 12.310 1.00 0.00 O ATOM 595 OD2 ASP A 43 11.051 1.568 11.222 1.00 0.00 O ATOM 0 H ASP A 43 6.935 0.908 11.519 1.00 0.00 H new ATOM 0 HA ASP A 43 8.287 3.397 10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.469 0.602 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.509 1.928 9.321 1.00 0.00 H new ATOM 600 N ARG A 44 7.731 3.844 8.495 1.00 0.00 N ATOM 601 CA ARG A 44 7.133 4.356 7.267 1.00 0.00 C ATOM 602 C ARG A 44 7.746 3.685 6.042 1.00 0.00 C ATOM 603 O ARG A 44 8.915 3.304 6.051 1.00 0.00 O ATOM 604 CB ARG A 44 7.318 5.873 7.180 1.00 0.00 C ATOM 605 CG ARG A 44 6.211 6.661 7.863 1.00 0.00 C ATOM 606 CD ARG A 44 6.139 8.089 7.345 1.00 0.00 C ATOM 607 NE ARG A 44 6.548 9.060 8.357 1.00 0.00 N ATOM 608 CZ ARG A 44 6.891 10.317 8.083 1.00 0.00 C ATOM 609 NH1 ARG A 44 6.877 10.758 6.832 1.00 0.00 N ATOM 610 NH2 ARG A 44 7.249 11.134 9.064 1.00 0.00 N ATOM 0 H ARG A 44 8.665 4.204 8.691 1.00 0.00 H new ATOM 0 HA ARG A 44 6.067 4.127 7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.274 6.141 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.367 6.165 6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.255 6.165 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.382 6.672 8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.778 8.189 6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.120 8.307 7.024 1.00 0.00 H new ATOM 0 HE ARG A 44 6.572 8.757 9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.602 10.133 6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.141 11.722 6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.261 10.799 10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.512 12.097 8.855 1.00 0.00 H new ATOM 624 N VAL A 45 6.946 3.545 4.989 1.00 0.00 N ATOM 625 CA VAL A 45 7.410 2.920 3.757 1.00 0.00 C ATOM 626 C VAL A 45 6.888 3.664 2.532 1.00 0.00 C ATOM 627 O VAL A 45 5.871 4.353 2.600 1.00 0.00 O ATOM 628 CB VAL A 45 6.970 1.446 3.674 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.700 0.611 4.713 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.463 1.329 3.847 1.00 0.00 C ATOM 0 H VAL A 45 5.975 3.856 4.965 1.00 0.00 H new ATOM 0 HA VAL A 45 8.499 2.966 3.770 1.00 0.00 H new ATOM 0 HB VAL A 45 7.230 1.063 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.376 -0.427 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.774 0.669 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.474 0.991 5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.170 0.281 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.176 1.730 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.962 1.893 3.060 1.00 0.00 H new ATOM 640 N LEU A 46 7.592 3.519 1.415 1.00 0.00 N ATOM 641 CA LEU A 46 7.200 4.178 0.174 1.00 0.00 C ATOM 642 C LEU A 46 7.054 3.164 -0.956 1.00 0.00 C ATOM 643 O LEU A 46 7.919 2.310 -1.154 1.00 0.00 O ATOM 644 CB LEU A 46 8.228 5.243 -0.210 1.00 0.00 C ATOM 645 CG LEU A 46 7.911 6.020 -1.489 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.522 6.637 -1.407 1.00 0.00 C ATOM 647 CD2 LEU A 46 8.960 7.094 -1.733 1.00 0.00 C ATOM 0 H LEU A 46 8.436 2.952 1.343 1.00 0.00 H new ATOM 0 HA LEU A 46 6.235 4.658 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.319 5.951 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.199 4.763 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 46 7.929 5.325 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.313 7.186 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.781 5.848 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.476 7.319 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.719 7.637 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.974 7.787 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.940 6.629 -1.835 1.00 0.00 H new ATOM 659 N VAL A 47 5.954 3.264 -1.696 1.00 0.00 N ATOM 660 CA VAL A 47 5.694 2.357 -2.807 1.00 0.00 C ATOM 661 C VAL A 47 5.488 3.126 -4.109 1.00 0.00 C ATOM 662 O VAL A 47 4.498 3.840 -4.270 1.00 0.00 O ATOM 663 CB VAL A 47 4.456 1.479 -2.535 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.212 2.338 -2.369 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.265 0.460 -3.649 1.00 0.00 C ATOM 0 H VAL A 47 5.228 3.965 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 47 6.570 1.715 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 47 4.620 0.937 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.351 1.698 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.350 3.020 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.042 2.912 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.386 -0.149 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.127 0.979 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.145 -0.181 -3.711 1.00 0.00 H new ATOM 675 N GLY A 48 6.429 2.975 -5.034 1.00 0.00 N ATOM 676 CA GLY A 48 6.334 3.661 -6.310 1.00 0.00 C ATOM 677 C GLY A 48 7.124 4.954 -6.334 1.00 0.00 C ATOM 678 O GLY A 48 7.582 5.390 -7.390 1.00 0.00 O ATOM 0 H GLY A 48 7.257 2.389 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.696 3.003 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.287 3.874 -6.527 1.00 0.00 H new ATOM 682 N GLY A 49 7.286 5.568 -5.166 1.00 0.00 N ATOM 683 CA GLY A 49 8.028 6.812 -5.079 1.00 0.00 C ATOM 684 C GLY A 49 7.120 8.025 -5.007 1.00 0.00 C ATOM 685 O GLY A 49 7.475 9.102 -5.486 1.00 0.00 O ATOM 0 H GLY A 49 6.917 5.226 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.669 6.789 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.682 6.903 -5.946 1.00 0.00 H new ATOM 689 N THR A 50 5.947 7.849 -4.408 1.00 0.00 N ATOM 690 CA THR A 50 4.987 8.939 -4.275 1.00 0.00 C ATOM 691 C THR A 50 4.064 8.705 -3.083 1.00 0.00 C ATOM 692 O THR A 50 3.827 9.610 -2.283 1.00 0.00 O ATOM 693 CB THR A 50 4.160 9.078 -5.554 1.00 0.00 C ATOM 694 OG1 THR A 50 4.999 9.080 -6.695 1.00 0.00 O ATOM 695 CG2 THR A 50 3.328 10.341 -5.594 1.00 0.00 C ATOM 0 H THR A 50 5.638 6.963 -4.007 1.00 0.00 H new ATOM 0 HA THR A 50 5.543 9.862 -4.108 1.00 0.00 H new ATOM 0 HB THR A 50 3.488 8.220 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.452 9.168 -7.503 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.766 10.377 -6.527 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.635 10.347 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.983 11.210 -5.531 1.00 0.00 H new ATOM 703 N LYS A 51 3.544 7.487 -2.973 1.00 0.00 N ATOM 704 CA LYS A 51 2.646 7.134 -1.880 1.00 0.00 C ATOM 705 C LYS A 51 3.431 6.652 -0.664 1.00 0.00 C ATOM 706 O LYS A 51 3.976 5.548 -0.663 1.00 0.00 O ATOM 707 CB LYS A 51 1.663 6.052 -2.328 1.00 0.00 C ATOM 708 CG LYS A 51 0.896 6.411 -3.590 1.00 0.00 C ATOM 709 CD LYS A 51 -0.276 5.469 -3.816 1.00 0.00 C ATOM 710 CE LYS A 51 -1.481 6.205 -4.381 1.00 0.00 C ATOM 711 NZ LYS A 51 -1.608 6.015 -5.852 1.00 0.00 N ATOM 0 H LYS A 51 3.729 6.727 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 51 2.089 8.028 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.209 5.124 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.953 5.862 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.532 7.436 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.567 6.372 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.021 4.675 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.548 4.992 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.387 5.850 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.394 7.268 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.441 6.532 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.755 6.377 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.717 5.002 -6.063 1.00 0.00 H new ATOM 725 N ALA A 52 3.485 7.487 0.369 1.00 0.00 N ATOM 726 CA ALA A 52 4.202 7.145 1.592 1.00 0.00 C ATOM 727 C ALA A 52 3.264 7.130 2.793 1.00 0.00 C ATOM 728 O ALA A 52 2.856 8.180 3.289 1.00 0.00 O ATOM 729 CB ALA A 52 5.343 8.124 1.823 1.00 0.00 C ATOM 0 H ALA A 52 3.041 8.405 0.383 1.00 0.00 H new ATOM 0 HA ALA A 52 4.614 6.143 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.871 7.858 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.034 8.083 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.943 9.134 1.915 1.00 0.00 H new ATOM 735 N GLY A 53 2.925 5.931 3.256 1.00 0.00 N ATOM 736 CA GLY A 53 2.036 5.802 4.396 1.00 0.00 C ATOM 737 C GLY A 53 2.683 5.069 5.555 1.00 0.00 C ATOM 738 O GLY A 53 3.822 4.613 5.452 1.00 0.00 O ATOM 0 H GLY A 53 3.250 5.048 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.726 6.794 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.134 5.270 4.092 1.00 0.00 H new ATOM 742 N VAL A 54 1.955 4.955 6.662 1.00 0.00 N ATOM 743 CA VAL A 54 2.465 4.273 7.845 1.00 0.00 C ATOM 744 C VAL A 54 1.920 2.852 7.937 1.00 0.00 C ATOM 745 O VAL A 54 0.739 2.612 7.683 1.00 0.00 O ATOM 746 CB VAL A 54 2.103 5.035 9.133 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.807 4.423 10.333 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.450 6.510 8.996 1.00 0.00 C ATOM 0 H VAL A 54 1.010 5.326 6.764 1.00 0.00 H new ATOM 0 HA VAL A 54 3.550 4.238 7.747 1.00 0.00 H new ATOM 0 HB VAL A 54 1.028 4.952 9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.538 4.976 11.233 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.502 3.382 10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.886 4.472 10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.187 7.033 9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.519 6.617 8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.893 6.939 8.163 1.00 0.00 H new ATOM 758 N VAL A 55 2.787 1.914 8.304 1.00 0.00 N ATOM 759 CA VAL A 55 2.391 0.516 8.430 1.00 0.00 C ATOM 760 C VAL A 55 1.419 0.322 9.589 1.00 0.00 C ATOM 761 O VAL A 55 1.704 0.709 10.722 1.00 0.00 O ATOM 762 CB VAL A 55 3.613 -0.397 8.643 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.207 -1.861 8.572 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.696 -0.087 7.621 1.00 0.00 C ATOM 0 H VAL A 55 3.767 2.096 8.519 1.00 0.00 H new ATOM 0 HA VAL A 55 1.899 0.242 7.497 1.00 0.00 H new ATOM 0 HB VAL A 55 4.017 -0.204 9.637 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.084 -2.490 8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.470 -2.072 9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.776 -2.072 7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.551 -0.742 7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.305 -0.248 6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.009 0.952 7.726 1.00 0.00 H new ATOM 774 N ARG A 56 0.269 -0.278 9.297 1.00 0.00 N ATOM 775 CA ARG A 56 -0.746 -0.523 10.314 1.00 0.00 C ATOM 776 C ARG A 56 -0.983 -2.019 10.497 1.00 0.00 C ATOM 777 O ARG A 56 -1.150 -2.499 11.618 1.00 0.00 O ATOM 778 CB ARG A 56 -2.056 0.169 9.934 1.00 0.00 C ATOM 779 CG ARG A 56 -2.027 1.676 10.128 1.00 0.00 C ATOM 780 CD ARG A 56 -2.593 2.076 11.481 1.00 0.00 C ATOM 781 NE ARG A 56 -1.835 3.167 12.089 1.00 0.00 N ATOM 782 CZ ARG A 56 -1.904 3.487 13.381 1.00 0.00 C ATOM 783 NH1 ARG A 56 -2.694 2.804 14.199 1.00 0.00 N ATOM 784 NH2 ARG A 56 -1.181 4.494 13.852 1.00 0.00 N ATOM 0 H ARG A 56 0.017 -0.603 8.364 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.386 -0.112 11.257 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.284 -0.050 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.865 -0.250 10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.002 2.035 10.041 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.601 2.157 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.634 2.378 11.364 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.585 1.213 12.147 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.217 3.715 11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.252 2.030 13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.743 3.053 15.187 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.573 5.022 13.226 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.233 4.740 14.840 1.00 0.00 H new ATOM 798 N PHE A 57 -0.996 -2.751 9.387 1.00 0.00 N ATOM 799 CA PHE A 57 -1.213 -4.191 9.424 1.00 0.00 C ATOM 800 C PHE A 57 -0.131 -4.926 8.637 1.00 0.00 C ATOM 801 O PHE A 57 0.506 -4.351 7.755 1.00 0.00 O ATOM 802 CB PHE A 57 -2.592 -4.535 8.858 1.00 0.00 C ATOM 803 CG PHE A 57 -2.997 -5.963 9.086 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.610 -6.956 8.199 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.764 -6.313 10.186 1.00 0.00 C ATOM 806 CE1 PHE A 57 -2.981 -8.271 8.405 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.137 -7.627 10.397 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.746 -8.607 9.505 1.00 0.00 C ATOM 0 H PHE A 57 -0.859 -2.369 8.451 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.163 -4.513 10.464 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.335 -3.879 9.311 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.597 -4.331 7.787 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.012 -6.699 7.337 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.074 -5.551 10.886 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.673 -9.035 7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.734 -7.888 11.259 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.038 -9.634 9.667 1.00 0.00 H new ATOM 818 N LEU A 58 0.070 -6.198 8.963 1.00 0.00 N ATOM 819 CA LEU A 58 1.074 -7.011 8.287 1.00 0.00 C ATOM 820 C LEU A 58 0.684 -8.486 8.310 1.00 0.00 C ATOM 821 O LEU A 58 0.719 -9.131 9.358 1.00 0.00 O ATOM 822 CB LEU A 58 2.441 -6.824 8.946 1.00 0.00 C ATOM 823 CG LEU A 58 3.585 -7.605 8.297 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.101 -6.876 7.067 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.709 -7.831 9.297 1.00 0.00 C ATOM 0 H LEU A 58 -0.449 -6.688 9.691 1.00 0.00 H new ATOM 0 HA LEU A 58 1.131 -6.684 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.692 -5.763 8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.367 -7.121 9.992 1.00 0.00 H new ATOM 0 HG LEU A 58 3.204 -8.576 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.914 -7.448 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.293 -6.767 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.466 -5.890 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.515 -8.388 8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.088 -6.869 9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.331 -8.398 10.148 1.00 0.00 H new ATOM 837 N GLY A 59 0.313 -9.013 7.148 1.00 0.00 N ATOM 838 CA GLY A 59 -0.078 -10.408 7.057 1.00 0.00 C ATOM 839 C GLY A 59 -0.458 -10.813 5.647 1.00 0.00 C ATOM 840 O GLY A 59 -0.177 -10.094 4.689 1.00 0.00 O ATOM 0 H GLY A 59 0.276 -8.499 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.743 -11.036 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.921 -10.590 7.724 1.00 0.00 H new ATOM 844 N GLU A 60 -1.100 -11.970 5.520 1.00 0.00 N ATOM 845 CA GLU A 60 -1.520 -12.472 4.215 1.00 0.00 C ATOM 846 C GLU A 60 -2.889 -11.918 3.834 1.00 0.00 C ATOM 847 O GLU A 60 -3.860 -12.067 4.577 1.00 0.00 O ATOM 848 CB GLU A 60 -1.560 -14.001 4.224 1.00 0.00 C ATOM 849 CG GLU A 60 -0.185 -14.646 4.171 1.00 0.00 C ATOM 850 CD GLU A 60 0.072 -15.574 5.342 1.00 0.00 C ATOM 851 OE1 GLU A 60 -0.251 -16.775 5.230 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.595 -15.099 6.372 1.00 0.00 O ATOM 0 H GLU A 60 -1.341 -12.577 6.303 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.794 -12.138 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.075 -14.337 5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.147 -14.346 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.086 -15.206 3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.577 -13.867 4.156 1.00 0.00 H new ATOM 859 N THR A 61 -2.959 -11.280 2.670 1.00 0.00 N ATOM 860 CA THR A 61 -4.209 -10.706 2.188 1.00 0.00 C ATOM 861 C THR A 61 -5.084 -11.777 1.542 1.00 0.00 C ATOM 862 O THR A 61 -4.748 -12.961 1.565 1.00 0.00 O ATOM 863 CB THR A 61 -3.925 -9.585 1.188 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.688 -9.799 0.532 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.874 -8.213 1.825 1.00 0.00 C ATOM 0 H THR A 61 -2.165 -11.148 2.044 1.00 0.00 H new ATOM 0 HA THR A 61 -4.746 -10.292 3.041 1.00 0.00 H new ATOM 0 HB THR A 61 -4.756 -9.611 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.461 -9.010 -0.003 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.669 -7.464 1.060 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.832 -7.996 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.085 -8.190 2.576 1.00 0.00 H new ATOM 873 N ASP A 62 -6.208 -11.357 0.969 1.00 0.00 N ATOM 874 CA ASP A 62 -7.126 -12.288 0.322 1.00 0.00 C ATOM 875 C ASP A 62 -7.586 -11.758 -1.034 1.00 0.00 C ATOM 876 O ASP A 62 -8.730 -11.328 -1.188 1.00 0.00 O ATOM 877 CB ASP A 62 -8.337 -12.546 1.220 1.00 0.00 C ATOM 878 CG ASP A 62 -7.967 -13.285 2.491 1.00 0.00 C ATOM 879 OD1 ASP A 62 -7.768 -14.515 2.426 1.00 0.00 O ATOM 880 OD2 ASP A 62 -7.877 -12.632 3.552 1.00 0.00 O ATOM 0 H ASP A 62 -6.504 -10.381 0.940 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.594 -13.225 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.803 -11.595 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.078 -13.125 0.669 1.00 0.00 H new ATOM 885 N PHE A 63 -6.690 -11.797 -2.015 1.00 0.00 N ATOM 886 CA PHE A 63 -7.004 -11.327 -3.361 1.00 0.00 C ATOM 887 C PHE A 63 -5.822 -11.547 -4.302 1.00 0.00 C ATOM 888 O PHE A 63 -6.000 -11.926 -5.459 1.00 0.00 O ATOM 889 CB PHE A 63 -7.394 -9.845 -3.336 1.00 0.00 C ATOM 890 CG PHE A 63 -6.236 -8.913 -3.117 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.570 -8.887 -1.903 1.00 0.00 C ATOM 892 CD2 PHE A 63 -5.813 -8.065 -4.127 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.505 -8.031 -1.699 1.00 0.00 C ATOM 894 CE2 PHE A 63 -4.748 -7.207 -3.929 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.093 -7.190 -2.714 1.00 0.00 C ATOM 0 H PHE A 63 -5.739 -12.150 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.851 -11.904 -3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.878 -9.591 -4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.129 -9.686 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.887 -9.544 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.321 -8.074 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.995 -8.020 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.428 -6.550 -4.724 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.260 -6.520 -2.558 1.00 0.00 H new ATOM 905 N ALA A 64 -4.617 -11.306 -3.796 1.00 0.00 N ATOM 906 CA ALA A 64 -3.406 -11.478 -4.589 1.00 0.00 C ATOM 907 C ALA A 64 -2.608 -12.697 -4.130 1.00 0.00 C ATOM 908 O ALA A 64 -1.754 -13.200 -4.860 1.00 0.00 O ATOM 909 CB ALA A 64 -2.546 -10.225 -4.514 1.00 0.00 C ATOM 0 H ALA A 64 -4.453 -10.991 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.704 -11.644 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.645 -10.366 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.108 -9.375 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.269 -10.035 -3.477 1.00 0.00 H new ATOM 915 N LYS A 65 -2.892 -13.168 -2.920 1.00 0.00 N ATOM 916 CA LYS A 65 -2.200 -14.328 -2.369 1.00 0.00 C ATOM 917 C LYS A 65 -0.714 -14.039 -2.188 1.00 0.00 C ATOM 918 O LYS A 65 -0.141 -13.210 -2.894 1.00 0.00 O ATOM 919 CB LYS A 65 -2.388 -15.544 -3.279 1.00 0.00 C ATOM 920 CG LYS A 65 -3.845 -15.845 -3.597 1.00 0.00 C ATOM 921 CD LYS A 65 -4.085 -15.932 -5.095 1.00 0.00 C ATOM 922 CE LYS A 65 -5.442 -16.541 -5.407 1.00 0.00 C ATOM 923 NZ LYS A 65 -6.561 -15.677 -4.937 1.00 0.00 N ATOM 0 H LYS A 65 -3.596 -12.764 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.632 -14.546 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.848 -15.377 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.941 -16.417 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.134 -16.785 -3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.479 -15.067 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.023 -14.936 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.301 -16.533 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.531 -16.697 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.517 -17.521 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.469 -16.128 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.491 -15.548 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.505 -14.751 -5.406 1.00 0.00 H new ATOM 937 N GLY A 66 -0.094 -14.730 -1.236 1.00 0.00 N ATOM 938 CA GLY A 66 1.321 -14.534 -0.978 1.00 0.00 C ATOM 939 C GLY A 66 1.578 -13.814 0.331 1.00 0.00 C ATOM 940 O GLY A 66 1.412 -14.389 1.407 1.00 0.00 O ATOM 0 H GLY A 66 -0.546 -15.422 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.821 -15.502 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.760 -13.963 -1.796 1.00 0.00 H new ATOM 944 N GLU A 67 1.983 -12.552 0.239 1.00 0.00 N ATOM 945 CA GLU A 67 2.265 -11.750 1.425 1.00 0.00 C ATOM 946 C GLU A 67 2.226 -10.262 1.096 1.00 0.00 C ATOM 947 O GLU A 67 3.073 -9.757 0.358 1.00 0.00 O ATOM 948 CB GLU A 67 3.630 -12.124 2.007 1.00 0.00 C ATOM 949 CG GLU A 67 3.663 -12.119 3.526 1.00 0.00 C ATOM 950 CD GLU A 67 4.570 -13.196 4.091 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.780 -12.928 4.254 1.00 0.00 O ATOM 952 OE2 GLU A 67 4.070 -14.305 4.371 1.00 0.00 O ATOM 0 H GLU A 67 2.124 -12.062 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 67 1.494 -11.958 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.910 -13.115 1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.379 -11.426 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.001 -11.144 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.652 -12.262 3.909 1.00 0.00 H new ATOM 959 N TRP A 68 1.240 -9.564 1.648 1.00 0.00 N ATOM 960 CA TRP A 68 1.091 -8.133 1.413 1.00 0.00 C ATOM 961 C TRP A 68 1.136 -7.357 2.726 1.00 0.00 C ATOM 962 O TRP A 68 0.839 -7.901 3.790 1.00 0.00 O ATOM 963 CB TRP A 68 -0.224 -7.848 0.686 1.00 0.00 C ATOM 964 CG TRP A 68 -0.232 -8.322 -0.735 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.021 -9.588 -1.178 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.509 -7.536 -1.900 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.079 -9.637 -2.547 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.404 -8.389 -3.014 1.00 0.00 C ATOM 969 CE3 TRP A 68 -0.835 -6.193 -2.108 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.614 -7.943 -4.315 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.042 -5.751 -3.400 1.00 0.00 C ATOM 972 CH2 TRP A 68 -0.931 -6.624 -4.490 1.00 0.00 C ATOM 0 H TRP A 68 0.532 -9.966 2.262 1.00 0.00 H new ATOM 0 HA TRP A 68 1.923 -7.806 0.789 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.041 -8.327 1.226 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.416 -6.775 0.705 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.264 -10.428 -0.545 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.065 -10.467 -3.123 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -0.923 -5.513 -1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.530 -8.614 -5.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.294 -4.715 -3.573 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.099 -6.248 -5.488 1.00 0.00 H new ATOM 983 N CYS A 69 1.510 -6.085 2.643 1.00 0.00 N ATOM 984 CA CYS A 69 1.594 -5.234 3.825 1.00 0.00 C ATOM 985 C CYS A 69 0.537 -4.134 3.779 1.00 0.00 C ATOM 986 O CYS A 69 0.541 -3.293 2.881 1.00 0.00 O ATOM 987 CB CYS A 69 2.988 -4.614 3.935 1.00 0.00 C ATOM 988 SG CYS A 69 3.435 -4.094 5.609 1.00 0.00 S ATOM 0 H CYS A 69 1.760 -5.620 1.770 1.00 0.00 H new ATOM 0 HA CYS A 69 1.410 -5.854 4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.724 -5.336 3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.044 -3.751 3.271 1.00 0.00 H new ATOM 0 HG CYS A 69 2.399 -4.201 6.388 1.00 0.00 H new ATOM 994 N GLY A 70 -0.365 -4.147 4.754 1.00 0.00 N ATOM 995 CA GLY A 70 -1.414 -3.146 4.807 1.00 0.00 C ATOM 996 C GLY A 70 -0.924 -1.819 5.350 1.00 0.00 C ATOM 997 O GLY A 70 -0.849 -1.625 6.564 1.00 0.00 O ATOM 0 H GLY A 70 -0.389 -4.833 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.821 -2.997 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.229 -3.512 5.431 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.588 -0.900 4.449 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.102 0.416 4.844 1.00 0.00 C ATOM 1003 C VAL A 71 -1.180 1.477 4.659 1.00 0.00 C ATOM 1004 O VAL A 71 -1.831 1.540 3.615 1.00 0.00 O ATOM 1005 CB VAL A 71 1.144 0.820 4.035 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.752 2.097 4.594 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.166 -0.307 4.028 1.00 0.00 C ATOM 0 H VAL A 71 -0.644 -1.044 3.441 1.00 0.00 H new ATOM 0 HA VAL A 71 0.164 0.352 5.899 1.00 0.00 H new ATOM 0 HB VAL A 71 0.840 1.009 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.632 2.367 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.019 2.902 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.041 1.938 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.039 -0.003 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.467 -0.532 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.725 -1.196 3.576 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.364 2.310 5.677 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.365 3.370 5.627 1.00 0.00 C ATOM 1019 C GLU A 72 -1.746 4.677 5.143 1.00 0.00 C ATOM 1020 O GLU A 72 -0.820 5.203 5.760 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.998 3.569 7.005 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.219 4.474 6.989 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.375 5.265 8.272 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.927 4.776 9.331 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.946 6.375 8.220 1.00 0.00 O ATOM 0 H GLU A 72 -0.833 2.272 6.547 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.140 3.072 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.282 2.597 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.253 3.990 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.144 5.164 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.112 3.870 6.828 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.266 5.197 4.036 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.764 6.444 3.469 1.00 0.00 C ATOM 1034 C LEU A 73 -2.273 7.645 4.259 1.00 0.00 C ATOM 1035 O LEU A 73 -3.355 7.602 4.844 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.183 6.567 2.003 1.00 0.00 C ATOM 1037 CG LEU A 73 -2.047 5.285 1.180 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.556 5.502 -0.236 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.599 4.816 1.162 1.00 0.00 C ATOM 0 H LEU A 73 -3.034 4.775 3.514 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.676 6.429 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.221 6.897 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.583 7.347 1.534 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.655 4.510 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.451 4.579 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.606 5.792 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.976 6.291 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.520 3.903 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.029 5.590 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.268 4.619 2.182 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.487 8.716 4.269 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.859 9.930 4.986 1.00 0.00 C ATOM 1053 C ASP A 74 -2.440 10.969 4.034 1.00 0.00 C ATOM 1054 O ASP A 74 -2.315 12.173 4.259 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.644 10.511 5.713 1.00 0.00 C ATOM 1056 CG ASP A 74 0.473 10.890 4.760 1.00 0.00 C ATOM 1057 OD1 ASP A 74 0.510 10.341 3.640 1.00 0.00 O ATOM 1058 OD2 ASP A 74 1.310 11.738 5.135 1.00 0.00 O ATOM 0 H ASP A 74 -0.589 8.768 3.789 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.622 9.669 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.949 11.391 6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.272 9.782 6.433 1.00 0.00 H new ATOM 1063 N GLU A 75 -3.079 10.496 2.968 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.682 11.383 1.980 1.00 0.00 C ATOM 1065 C GLU A 75 -4.851 10.698 1.277 1.00 0.00 C ATOM 1066 O GLU A 75 -4.972 9.473 1.305 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.637 11.818 0.950 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.867 13.065 1.354 1.00 0.00 C ATOM 1069 CD GLU A 75 -2.745 14.301 1.403 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -3.420 14.508 2.433 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -2.756 15.062 0.412 1.00 0.00 O ATOM 0 H GLU A 75 -3.192 9.502 2.767 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.059 12.264 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.933 11.001 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.133 12.000 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.414 12.907 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.053 13.230 0.648 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.734 11.483 0.635 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.898 10.944 -0.076 1.00 0.00 C ATOM 1080 C PRO A 76 -6.504 10.183 -1.337 1.00 0.00 C ATOM 1081 O PRO A 76 -6.865 10.570 -2.449 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.707 12.193 -0.432 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.705 13.294 -0.480 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.666 12.955 0.552 1.00 0.00 C ATOM 0 HA PRO A 76 -7.449 10.224 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.213 12.077 -1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.477 12.391 0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.259 13.372 -1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.171 14.255 -0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.675 13.295 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.886 13.422 1.512 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.757 9.097 -1.158 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.311 8.280 -2.281 1.00 0.00 C ATOM 1094 C LEU A 77 -5.833 6.851 -2.157 1.00 0.00 C ATOM 1095 O LEU A 77 -6.217 6.232 -3.150 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.783 8.272 -2.360 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.116 9.629 -2.134 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.692 9.448 -1.635 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.134 10.450 -3.415 1.00 0.00 C ATOM 0 H LEU A 77 -5.448 8.763 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.712 8.716 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.400 7.568 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.487 7.898 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.679 10.167 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.234 10.425 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.703 8.899 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.116 8.890 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.655 11.413 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.594 9.916 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.165 10.610 -3.730 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.842 6.332 -0.933 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.318 4.980 -0.703 1.00 0.00 C ATOM 1113 C GLY A 78 -7.733 4.766 -1.204 1.00 0.00 C ATOM 1114 O GLY A 78 -8.423 5.721 -1.563 1.00 0.00 O ATOM 0 H GLY A 78 -5.528 6.824 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.651 4.275 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.278 4.761 0.364 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.167 3.510 -1.230 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.508 3.173 -1.691 1.00 0.00 C ATOM 1120 C LYS A 79 -10.296 2.458 -0.597 1.00 0.00 C ATOM 1121 O LYS A 79 -11.366 2.912 -0.191 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.434 2.294 -2.941 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.462 2.655 -4.001 1.00 0.00 C ATOM 1124 CD LYS A 79 -9.888 2.524 -5.403 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.986 2.495 -6.454 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.877 1.314 -6.292 1.00 0.00 N ATOM 0 H LYS A 79 -7.608 2.708 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.025 4.101 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.436 2.374 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.574 1.253 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.332 2.006 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.806 3.677 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.215 3.358 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.294 1.612 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.577 3.408 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.538 2.478 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.356 1.114 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.311 0.488 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.588 1.513 -5.559 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.761 1.337 -0.125 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.413 0.559 0.922 1.00 0.00 C ATOM 1142 C ASN A 80 -10.250 1.230 2.281 1.00 0.00 C ATOM 1143 O ASN A 80 -9.346 2.042 2.479 1.00 0.00 O ATOM 1144 CB ASN A 80 -9.839 -0.858 0.966 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.876 -1.540 -0.388 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.681 -1.188 -1.250 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -9.003 -2.521 -0.580 1.00 0.00 N ATOM 0 H ASN A 80 -8.877 0.947 -0.451 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.477 0.505 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.809 -0.819 1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.402 -1.453 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.981 -3.017 -1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.354 -2.779 0.163 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.129 0.883 3.216 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.082 1.452 4.558 1.00 0.00 C ATOM 1156 C ASP A 81 -10.419 0.486 5.535 1.00 0.00 C ATOM 1157 O ASP A 81 -10.751 0.460 6.720 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.493 1.794 5.039 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.389 0.573 5.117 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.408 -0.212 4.147 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.072 0.403 6.150 1.00 0.00 O ATOM 0 H ASP A 81 -11.882 0.211 3.069 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.488 2.365 4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.435 2.262 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.937 2.525 4.363 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.481 -0.308 5.030 1.00 0.00 N ATOM 1167 CA GLY A 82 -8.786 -1.265 5.872 1.00 0.00 C ATOM 1168 C GLY A 82 -9.293 -2.681 5.680 1.00 0.00 C ATOM 1169 O GLY A 82 -8.543 -3.643 5.847 1.00 0.00 O ATOM 0 H GLY A 82 -9.189 -0.306 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.719 -1.231 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.904 -0.978 6.917 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.568 -2.809 5.330 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.174 -4.117 5.115 1.00 0.00 C ATOM 1175 C ALA A 83 -11.033 -4.556 3.662 1.00 0.00 C ATOM 1176 O ALA A 83 -11.248 -3.768 2.742 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.639 -4.093 5.522 1.00 0.00 C ATOM 0 H ALA A 83 -11.202 -2.022 5.189 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.647 -4.840 5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.079 -5.076 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.719 -3.833 6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.171 -3.352 4.925 1.00 0.00 H new ATOM 1183 N VAL A 84 -10.670 -5.819 3.462 1.00 0.00 N ATOM 1184 CA VAL A 84 -10.500 -6.362 2.120 1.00 0.00 C ATOM 1185 C VAL A 84 -11.169 -7.727 1.991 1.00 0.00 C ATOM 1186 O VAL A 84 -10.958 -8.613 2.819 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.011 -6.496 1.751 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -8.855 -6.871 0.286 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.267 -5.206 2.062 1.00 0.00 C ATOM 0 H VAL A 84 -10.488 -6.485 4.213 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.974 -5.661 1.433 1.00 0.00 H new ATOM 0 HB VAL A 84 -8.576 -7.294 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.796 -6.961 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.352 -7.823 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.305 -6.098 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.216 -5.319 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -8.702 -4.388 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.349 -4.986 3.126 1.00 0.00 H new ATOM 1199 N ALA A 85 -11.974 -7.889 0.946 1.00 0.00 N ATOM 1200 CA ALA A 85 -12.674 -9.146 0.707 1.00 0.00 C ATOM 1201 C ALA A 85 -13.550 -9.525 1.895 1.00 0.00 C ATOM 1202 O ALA A 85 -13.819 -10.703 2.130 1.00 0.00 O ATOM 1203 CB ALA A 85 -11.676 -10.255 0.409 1.00 0.00 C ATOM 0 H ALA A 85 -12.158 -7.165 0.251 1.00 0.00 H new ATOM 0 HA ALA A 85 -13.323 -9.012 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.211 -11.188 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.097 -9.995 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.004 -10.377 1.258 1.00 0.00 H new ATOM 1209 N GLY A 86 -13.994 -8.521 2.645 1.00 0.00 N ATOM 1210 CA GLY A 86 -14.835 -8.772 3.800 1.00 0.00 C ATOM 1211 C GLY A 86 -14.045 -8.845 5.092 1.00 0.00 C ATOM 1212 O GLY A 86 -14.574 -8.566 6.167 1.00 0.00 O ATOM 0 H GLY A 86 -13.786 -7.537 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.582 -7.982 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.375 -9.708 3.655 1.00 0.00 H new ATOM 1216 N THR A 87 -12.774 -9.221 4.987 1.00 0.00 N ATOM 1217 CA THR A 87 -11.910 -9.331 6.157 1.00 0.00 C ATOM 1218 C THR A 87 -11.504 -7.951 6.664 1.00 0.00 C ATOM 1219 O THR A 87 -11.228 -7.046 5.878 1.00 0.00 O ATOM 1220 CB THR A 87 -10.664 -10.151 5.822 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.022 -11.427 5.325 1.00 0.00 O ATOM 1222 CG2 THR A 87 -9.749 -10.361 7.010 1.00 0.00 C ATOM 0 H THR A 87 -12.320 -9.454 4.104 1.00 0.00 H new ATOM 0 HA THR A 87 -12.468 -9.838 6.944 1.00 0.00 H new ATOM 0 HB THR A 87 -10.130 -9.570 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.211 -11.936 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.885 -10.950 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.414 -9.395 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.288 -10.890 7.796 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.466 -7.799 7.984 1.00 0.00 N ATOM 1231 CA ARG A 88 -11.091 -6.529 8.597 1.00 0.00 C ATOM 1232 C ARG A 88 -9.644 -6.566 9.078 1.00 0.00 C ATOM 1233 O ARG A 88 -9.301 -7.320 9.988 1.00 0.00 O ATOM 1234 CB ARG A 88 -12.023 -6.209 9.768 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.419 -4.743 9.846 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.907 -4.550 9.600 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.182 -3.346 8.820 1.00 0.00 N ATOM 1238 CZ ARG A 88 -14.195 -2.117 9.330 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -13.950 -1.925 10.621 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -14.455 -1.077 8.550 1.00 0.00 N ATOM 0 H ARG A 88 -11.690 -8.539 8.650 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.185 -5.747 7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.924 -6.816 9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.534 -6.495 10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.158 -4.347 10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.851 -4.173 9.111 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.303 -5.420 9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.427 -4.489 10.556 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.376 -3.454 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.751 -2.721 11.226 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.961 -0.981 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.645 -1.219 7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.465 -0.135 8.942 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.800 -5.747 8.459 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.388 -5.686 8.824 1.00 0.00 C ATOM 1256 C TYR A 89 -7.137 -4.582 9.845 1.00 0.00 C ATOM 1257 O TYR A 89 -6.665 -4.842 10.952 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.529 -5.451 7.580 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.669 -6.534 6.535 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.838 -6.664 5.794 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.634 -7.426 6.286 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -7.971 -7.652 4.837 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.758 -8.416 5.331 1.00 0.00 C ATOM 1264 CZ TYR A 89 -6.928 -8.525 4.609 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.056 -9.510 3.658 1.00 0.00 O ATOM 0 H TYR A 89 -9.068 -5.117 7.703 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.113 -6.640 9.273 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.800 -4.493 7.137 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.483 -5.379 7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.656 -5.981 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.716 -7.344 6.849 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.887 -7.740 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.943 -9.101 5.151 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.657 -9.203 2.948 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.456 -3.348 9.466 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.264 -2.204 10.349 1.00 0.00 C ATOM 1277 C PHE A 90 -8.410 -1.209 10.205 1.00 0.00 C ATOM 1278 O PHE A 90 -9.025 -1.103 9.145 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.933 -1.515 10.045 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.689 -1.302 8.578 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.142 -2.309 7.799 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -6.007 -0.094 7.978 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.917 -2.115 6.449 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.784 0.106 6.629 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.239 -0.906 5.863 1.00 0.00 C ATOM 0 H PHE A 90 -7.848 -3.116 8.554 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.249 -2.568 11.376 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.908 -0.551 10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.121 -2.114 10.457 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.889 -3.256 8.252 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.434 0.701 8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.490 -2.908 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.036 1.053 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.065 -0.753 4.808 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.692 -0.479 11.281 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.764 0.509 11.275 1.00 0.00 C ATOM 1297 C GLN A 91 -9.217 1.904 10.984 1.00 0.00 C ATOM 1298 O GLN A 91 -8.403 2.431 11.742 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.499 0.501 12.617 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.997 0.281 12.490 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.740 1.540 12.090 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.912 2.455 12.896 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -13.186 1.594 10.840 1.00 0.00 N ATOM 0 H GLN A 91 -8.193 -0.554 12.167 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.466 0.245 10.484 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.078 -0.282 13.248 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.321 1.449 13.124 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.185 -0.497 11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.389 -0.081 13.440 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.021 0.813 10.205 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.693 2.417 10.515 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.670 2.495 9.884 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.225 3.828 9.495 1.00 0.00 C ATOM 1314 C CYS A 92 -10.243 4.494 8.574 1.00 0.00 C ATOM 1315 O CYS A 92 -11.145 3.838 8.053 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.865 3.752 8.799 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.852 2.721 7.313 1.00 0.00 S ATOM 0 H CYS A 92 -10.345 2.072 9.246 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.130 4.430 10.399 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.549 4.760 8.531 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.129 3.364 9.504 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.975 1.772 7.451 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.093 5.799 8.378 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.999 6.552 7.519 1.00 0.00 C ATOM 1325 C GLN A 93 -10.974 6.009 6.093 1.00 0.00 C ATOM 1326 O GLN A 93 -9.946 5.520 5.624 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.622 8.035 7.521 1.00 0.00 C ATOM 1328 CG GLN A 93 -10.675 8.676 8.898 1.00 0.00 C ATOM 1329 CD GLN A 93 -10.843 10.181 8.836 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -9.928 10.934 9.170 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -12.017 10.628 8.406 1.00 0.00 N ATOM 0 H GLN A 93 -9.352 6.358 8.802 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.010 6.441 7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.616 8.146 7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.295 8.573 6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.501 8.245 9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.760 8.439 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.747 9.968 8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.188 11.631 8.342 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.111 6.088 5.381 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.214 5.601 4.001 1.00 0.00 C ATOM 1342 C PRO A 94 -11.350 6.409 3.037 1.00 0.00 C ATOM 1343 O PRO A 94 -11.015 7.562 3.307 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.699 5.776 3.665 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.181 6.829 4.602 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.383 6.657 5.862 1.00 0.00 C ATOM 0 HA PRO A 94 -11.864 4.573 3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.836 6.078 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.248 4.844 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.035 7.823 4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.248 6.719 4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.231 7.607 6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.881 5.991 6.566 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.994 5.796 1.914 1.00 0.00 N ATOM 1355 CA LYS A 95 -10.169 6.458 0.911 1.00 0.00 C ATOM 1356 C LYS A 95 -8.813 6.848 1.494 1.00 0.00 C ATOM 1357 O LYS A 95 -8.316 7.947 1.255 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.883 7.699 0.371 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.889 7.393 -0.726 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.221 8.634 -1.540 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.707 8.716 -1.851 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.974 9.500 -3.089 1.00 0.00 N ATOM 0 H LYS A 95 -11.264 4.842 1.675 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.004 5.758 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.395 8.200 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.140 8.397 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.488 6.622 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.801 6.992 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.914 9.524 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.654 8.622 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.110 7.710 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.229 9.175 -1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.998 9.532 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.613 10.468 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.498 9.048 -3.896 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.221 5.937 2.260 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.924 6.185 2.878 1.00 0.00 C ATOM 1378 C TYR A 96 -6.106 4.900 2.958 1.00 0.00 C ATOM 1379 O TYR A 96 -4.930 4.878 2.595 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.107 6.776 4.277 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.411 8.257 4.275 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.482 9.175 3.804 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.628 8.736 4.744 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.756 10.530 3.801 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.910 10.089 4.744 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.971 10.981 4.272 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.248 12.329 4.270 1.00 0.00 O ATOM 0 H TYR A 96 -8.619 5.021 2.467 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.384 6.900 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.916 6.248 4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.201 6.601 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.530 8.825 3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.366 8.040 5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.022 11.231 3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.861 10.445 5.112 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.146 12.479 4.633 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.736 3.832 3.437 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.050 2.559 3.556 1.00 0.00 C ATOM 1399 C GLY A 97 -5.752 1.932 2.209 1.00 0.00 C ATOM 1400 O GLY A 97 -6.602 1.925 1.318 1.00 0.00 O ATOM 0 H GLY A 97 -7.709 3.826 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.117 2.702 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.661 1.874 4.145 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.542 1.404 2.059 1.00 0.00 N ATOM 1405 CA LEU A 98 -4.132 0.772 0.811 1.00 0.00 C ATOM 1406 C LEU A 98 -3.216 -0.418 1.079 1.00 0.00 C ATOM 1407 O LEU A 98 -2.482 -0.440 2.067 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.422 1.785 -0.089 1.00 0.00 C ATOM 1409 CG LEU A 98 -3.211 1.329 -1.534 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.390 1.742 -2.402 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.915 1.901 -2.090 1.00 0.00 C ATOM 0 H LEU A 98 -3.828 1.401 2.787 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.027 0.411 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.999 2.709 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.451 2.019 0.348 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.140 0.241 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.222 1.409 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.302 1.286 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.492 2.827 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.781 1.566 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.958 2.990 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.076 1.557 -1.485 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.263 -1.406 0.190 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.437 -2.600 0.329 1.00 0.00 C ATOM 1425 C PHE A 99 -1.449 -2.716 -0.827 1.00 0.00 C ATOM 1426 O PHE A 99 -1.721 -2.255 -1.936 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.316 -3.850 0.389 1.00 0.00 C ATOM 1428 CG PHE A 99 -4.112 -3.966 1.657 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -5.175 -3.112 1.905 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.797 -4.928 2.603 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.910 -3.216 3.070 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -4.528 -5.038 3.771 1.00 0.00 C ATOM 1433 CZ PHE A 99 -5.586 -4.180 4.005 1.00 0.00 C ATOM 0 H PHE A 99 -3.864 -1.403 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.874 -2.515 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.000 -3.844 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.685 -4.733 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.432 -2.356 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.970 -5.600 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.737 -2.545 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.273 -5.793 4.500 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.158 -4.263 4.917 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.303 -3.333 -0.562 1.00 0.00 N ATOM 1444 CA ALA A 100 0.724 -3.509 -1.581 1.00 0.00 C ATOM 1445 C ALA A 100 1.672 -4.648 -1.214 1.00 0.00 C ATOM 1446 O ALA A 100 1.839 -4.972 -0.039 1.00 0.00 O ATOM 1447 CB ALA A 100 1.500 -2.216 -1.777 1.00 0.00 C ATOM 0 H ALA A 100 -0.062 -3.720 0.351 1.00 0.00 H new ATOM 0 HA ALA A 100 0.231 -3.769 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.264 -2.362 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.818 -1.426 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.976 -1.931 -0.838 1.00 0.00 H new ATOM 1453 N PRO A 101 2.311 -5.273 -2.220 1.00 0.00 N ATOM 1454 CA PRO A 101 3.246 -6.379 -1.996 1.00 0.00 C ATOM 1455 C PRO A 101 4.507 -5.924 -1.271 1.00 0.00 C ATOM 1456 O PRO A 101 5.093 -4.896 -1.610 1.00 0.00 O ATOM 1457 CB PRO A 101 3.591 -6.868 -3.411 1.00 0.00 C ATOM 1458 CG PRO A 101 2.589 -6.233 -4.315 1.00 0.00 C ATOM 1459 CD PRO A 101 2.176 -4.956 -3.648 1.00 0.00 C ATOM 0 HA PRO A 101 2.810 -7.154 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.605 -6.580 -3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.540 -7.955 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.019 -6.038 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.731 -6.888 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.816 -4.123 -3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.154 -4.678 -3.905 1.00 0.00 H new ATOM 1467 N VAL A 102 4.923 -6.696 -0.271 1.00 0.00 N ATOM 1468 CA VAL A 102 6.117 -6.370 0.501 1.00 0.00 C ATOM 1469 C VAL A 102 7.323 -6.159 -0.411 1.00 0.00 C ATOM 1470 O VAL A 102 8.056 -5.180 -0.271 1.00 0.00 O ATOM 1471 CB VAL A 102 6.447 -7.472 1.524 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.390 -7.519 2.617 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.572 -8.823 0.836 1.00 0.00 C ATOM 0 H VAL A 102 4.451 -7.551 0.023 1.00 0.00 H new ATOM 0 HA VAL A 102 5.902 -5.444 1.035 1.00 0.00 H new ATOM 0 HB VAL A 102 7.406 -7.236 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.640 -8.304 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.355 -6.558 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.417 -7.729 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.805 -9.588 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.631 -9.069 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.369 -8.781 0.094 1.00 0.00 H new ATOM 1483 N HIS A 103 7.520 -7.082 -1.347 1.00 0.00 N ATOM 1484 CA HIS A 103 8.636 -6.995 -2.283 1.00 0.00 C ATOM 1485 C HIS A 103 8.576 -5.696 -3.081 1.00 0.00 C ATOM 1486 O HIS A 103 9.603 -5.175 -3.515 1.00 0.00 O ATOM 1487 CB HIS A 103 8.624 -8.193 -3.236 1.00 0.00 C ATOM 1488 CG HIS A 103 7.329 -8.365 -3.966 1.00 0.00 C ATOM 1489 ND1 HIS A 103 6.944 -7.591 -5.038 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.321 -9.250 -3.761 1.00 0.00 C ATOM 1491 CE1 HIS A 103 5.740 -8.018 -5.442 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.318 -9.025 -4.700 1.00 0.00 N ATOM 0 H HIS A 103 6.922 -7.898 -1.478 1.00 0.00 H new ATOM 0 HA HIS A 103 9.562 -7.006 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.428 -8.077 -3.962 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.835 -9.100 -2.669 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.300 -10.008 -2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.187 -7.594 -6.267 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.439 -9.533 -4.795 1.00 0.00 H new ATOM 1500 N LYS A 104 7.366 -5.176 -3.268 1.00 0.00 N ATOM 1501 CA LYS A 104 7.173 -3.938 -4.011 1.00 0.00 C ATOM 1502 C LYS A 104 7.346 -2.722 -3.103 1.00 0.00 C ATOM 1503 O LYS A 104 7.616 -1.617 -3.575 1.00 0.00 O ATOM 1504 CB LYS A 104 5.785 -3.918 -4.657 1.00 0.00 C ATOM 1505 CG LYS A 104 5.823 -3.807 -6.172 1.00 0.00 C ATOM 1506 CD LYS A 104 4.676 -4.574 -6.815 1.00 0.00 C ATOM 1507 CE LYS A 104 4.688 -4.429 -8.329 1.00 0.00 C ATOM 1508 NZ LYS A 104 3.321 -4.208 -8.876 1.00 0.00 N ATOM 0 H LYS A 104 6.505 -5.594 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 104 7.930 -3.891 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.251 -4.827 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.217 -3.080 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.769 -2.758 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.773 -4.192 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.748 -5.629 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.727 -4.210 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.330 -3.594 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.118 -5.325 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.372 -4.114 -9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.714 -5.016 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.921 -3.339 -8.469 1.00 0.00 H new ATOM 1522 N VAL A 105 7.189 -2.929 -1.799 1.00 0.00 N ATOM 1523 CA VAL A 105 7.328 -1.848 -0.831 1.00 0.00 C ATOM 1524 C VAL A 105 8.765 -1.737 -0.335 1.00 0.00 C ATOM 1525 O VAL A 105 9.470 -2.740 -0.214 1.00 0.00 O ATOM 1526 CB VAL A 105 6.393 -2.049 0.377 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.434 -0.836 1.293 1.00 0.00 C ATOM 1528 CG2 VAL A 105 4.970 -2.328 -0.086 1.00 0.00 C ATOM 0 H VAL A 105 6.965 -3.836 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 105 7.051 -0.927 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 105 6.742 -2.914 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.767 -0.997 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.451 -0.688 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.113 0.048 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.326 -2.467 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.608 -1.486 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.956 -3.231 -0.696 1.00 0.00 H new ATOM 1538 N THR A 106 9.196 -0.513 -0.051 1.00 0.00 N ATOM 1539 CA THR A 106 10.550 -0.270 0.432 1.00 0.00 C ATOM 1540 C THR A 106 10.546 0.721 1.591 1.00 0.00 C ATOM 1541 O THR A 106 9.708 1.621 1.648 1.00 0.00 O ATOM 1542 CB THR A 106 11.431 0.257 -0.702 1.00 0.00 C ATOM 1543 OG1 THR A 106 11.152 -0.425 -1.912 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.912 0.113 -0.424 1.00 0.00 C ATOM 0 H THR A 106 8.626 0.328 -0.147 1.00 0.00 H new ATOM 0 HA THR A 106 10.956 -1.216 0.789 1.00 0.00 H new ATOM 0 HB THR A 106 11.194 1.318 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.724 -0.073 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.480 0.506 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.169 0.670 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 106 13.155 -0.940 -0.282 1.00 0.00 H new ATOM 1552 N LYS A 107 11.488 0.549 2.513 1.00 0.00 N ATOM 1553 CA LYS A 107 11.593 1.429 3.671 1.00 0.00 C ATOM 1554 C LYS A 107 11.997 2.838 3.247 1.00 0.00 C ATOM 1555 O LYS A 107 12.537 3.039 2.160 1.00 0.00 O ATOM 1556 CB LYS A 107 12.609 0.870 4.671 1.00 0.00 C ATOM 1557 CG LYS A 107 11.976 0.338 5.947 1.00 0.00 C ATOM 1558 CD LYS A 107 13.006 0.170 7.052 1.00 0.00 C ATOM 1559 CE LYS A 107 12.366 -0.322 8.340 1.00 0.00 C ATOM 1560 NZ LYS A 107 12.139 -1.794 8.323 1.00 0.00 N ATOM 0 H LYS A 107 12.189 -0.191 2.481 1.00 0.00 H new ATOM 0 HA LYS A 107 10.615 1.481 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.173 0.069 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.322 1.653 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.194 1.021 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.498 -0.621 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.772 -0.536 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.505 1.122 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.005 -0.063 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.416 0.190 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.227 -2.010 8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.127 -2.132 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.904 -2.269 8.843 1.00 0.00 H new ATOM 1574 N ILE A 108 11.731 3.811 4.113 1.00 0.00 N ATOM 1575 CA ILE A 108 12.067 5.200 3.826 1.00 0.00 C ATOM 1576 C ILE A 108 12.354 5.973 5.109 1.00 0.00 C ATOM 1577 O ILE A 108 11.487 6.673 5.632 1.00 0.00 O ATOM 1578 CB ILE A 108 10.933 5.906 3.058 1.00 0.00 C ATOM 1579 CG1 ILE A 108 9.588 5.647 3.738 1.00 0.00 C ATOM 1580 CG2 ILE A 108 10.901 5.438 1.611 1.00 0.00 C ATOM 1581 CD1 ILE A 108 8.620 6.806 3.626 1.00 0.00 C ATOM 0 H ILE A 108 11.284 3.663 5.018 1.00 0.00 H new ATOM 0 HA ILE A 108 12.963 5.186 3.205 1.00 0.00 H new ATOM 0 HB ILE A 108 11.122 6.979 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.132 4.760 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.759 5.428 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.095 5.946 1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.852 5.671 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.733 4.361 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.688 6.552 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.055 7.690 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.419 7.012 2.575 1.00 0.00 H new