USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 28 LYS NZ :NH3+ -132:sc= -1.4 (180deg=-3.19!) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.168 F(o=-1.2,f=-0.17) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.56 F(o=-1.7,f=-0.56) USER MOD Single : A 49 CYS SG : rot -64:sc= 0.45 USER MOD Single : A 52 CYS SG : rot -60:sc= 0.517 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0929 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= 0.862 F(o=-0.039,f=0.86) USER MOD Single : A 64 CYS SG : rot -80:sc= -5.4! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -122:sc= 0.275 USER MOD Single : A 70 HIS : no HD1:sc= -3.02 K(o=-3,f=-3.7!) USER MOD Single : A 74 THR OG1 : rot -160:sc= 0.473 USER MOD Single : A 75 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 81 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.5!) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.53 F(o=-2.1,f=-1.5) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.144 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.59! USER MOD Single : A 108 CYS SG : rot -151:sc= 0.352 USER MOD Single : A 116 LYS NZ :NH3+ 170:sc= -0.0826 (180deg=-0.103) USER MOD Single : A 117 ASN : amide:sc= -1.85 K(o=-1.8,f=-4.8!) USER MOD Single : A 124 MET CE :methyl 162:sc= -0.0173 (180deg=-0.737) USER MOD Single : A 128 ASN : amide:sc= -0.724 K(o=-0.72,f=-1.6!) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 424 N ARG A 27 -7.139 -27.069 11.655 1.00 0.00 N ATOM 425 CA ARG A 27 -8.502 -27.248 11.170 1.00 0.00 C ATOM 426 C ARG A 27 -8.506 -27.793 9.745 1.00 0.00 C ATOM 427 O ARG A 27 -7.776 -27.306 8.880 1.00 0.00 O ATOM 428 CB ARG A 27 -9.263 -25.922 11.222 1.00 0.00 C ATOM 429 CG ARG A 27 -8.657 -24.837 10.346 1.00 0.00 C ATOM 430 CD ARG A 27 -9.528 -24.549 9.134 1.00 0.00 C ATOM 431 NE ARG A 27 -10.802 -23.941 9.508 1.00 0.00 N ATOM 432 CZ ARG A 27 -11.868 -23.923 8.716 1.00 0.00 C ATOM 433 NH1 ARG A 27 -11.814 -24.477 7.512 1.00 0.00 N ATOM 434 NH2 ARG A 27 -12.992 -23.351 9.127 1.00 0.00 N ATOM 0 HA ARG A 27 -8.999 -27.970 11.818 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.294 -26.092 10.913 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.293 -25.570 12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.531 -23.925 10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.665 -25.145 10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.995 -23.884 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.714 -25.477 8.593 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.877 -23.506 10.428 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.952 -24.919 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.634 -24.461 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.038 -22.924 10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.810 -23.338 8.518 1.00 0.00 H new ATOM 448 N LYS A 28 -9.330 -28.807 9.506 1.00 0.00 N ATOM 449 CA LYS A 28 -9.430 -29.419 8.187 1.00 0.00 C ATOM 450 C LYS A 28 -10.882 -29.482 7.724 1.00 0.00 C ATOM 451 O LYS A 28 -11.806 -29.405 8.535 1.00 0.00 O ATOM 452 CB LYS A 28 -8.829 -30.826 8.207 1.00 0.00 C ATOM 453 CG LYS A 28 -7.310 -30.839 8.179 1.00 0.00 C ATOM 454 CD LYS A 28 -6.726 -30.730 9.578 1.00 0.00 C ATOM 455 CE LYS A 28 -6.791 -32.059 10.314 1.00 0.00 C ATOM 456 NZ LYS A 28 -5.977 -33.108 9.640 1.00 0.00 N ATOM 0 H LYS A 28 -9.939 -29.223 10.210 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.870 -28.801 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.172 -31.346 9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.205 -31.385 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.962 -31.759 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.949 -30.012 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.690 -30.398 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.270 -29.973 10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.437 -31.926 11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.828 -32.389 10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.540 -33.977 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.694 -32.775 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.128 -33.306 10.207 1.00 0.00 H new ATOM 470 N PHE A 29 -11.077 -29.624 6.418 1.00 0.00 N ATOM 471 CA PHE A 29 -12.418 -29.698 5.848 1.00 0.00 C ATOM 472 C PHE A 29 -12.369 -30.200 4.408 1.00 0.00 C ATOM 473 O PHE A 29 -11.548 -29.749 3.609 1.00 0.00 O ATOM 474 CB PHE A 29 -13.093 -28.326 5.900 1.00 0.00 C ATOM 475 CG PHE A 29 -14.389 -28.267 5.142 1.00 0.00 C ATOM 476 CD1 PHE A 29 -14.397 -28.045 3.774 1.00 0.00 C ATOM 477 CD2 PHE A 29 -15.598 -28.434 5.797 1.00 0.00 C ATOM 478 CE1 PHE A 29 -15.587 -27.991 3.073 1.00 0.00 C ATOM 479 CE2 PHE A 29 -16.791 -28.381 5.102 1.00 0.00 C ATOM 480 CZ PHE A 29 -16.786 -28.158 3.738 1.00 0.00 C ATOM 0 H PHE A 29 -10.324 -29.690 5.733 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.000 -30.404 6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.277 -28.060 6.941 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.410 -27.578 5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.462 -27.913 3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -15.608 -28.608 6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -15.579 -27.818 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.727 -28.514 5.624 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.718 -28.114 3.193 1.00 0.00 H new ATOM 490 N ILE A 30 -13.255 -31.136 4.084 1.00 0.00 N ATOM 491 CA ILE A 30 -13.314 -31.699 2.741 1.00 0.00 C ATOM 492 C ILE A 30 -14.720 -32.188 2.411 1.00 0.00 C ATOM 493 O ILE A 30 -15.522 -32.454 3.307 1.00 0.00 O ATOM 494 CB ILE A 30 -12.324 -32.867 2.576 1.00 0.00 C ATOM 495 CG1 ILE A 30 -12.675 -34.002 3.540 1.00 0.00 C ATOM 496 CG2 ILE A 30 -10.898 -32.390 2.807 1.00 0.00 C ATOM 497 CD1 ILE A 30 -12.045 -33.850 4.907 1.00 0.00 C ATOM 0 H ILE A 30 -13.942 -31.520 4.733 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.039 -30.901 2.052 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.399 -33.246 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.758 -34.051 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.356 -34.949 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.210 -33.227 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.653 -31.612 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.808 -31.988 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.337 -34.690 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -10.960 -33.831 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.384 -32.919 5.362 1.00 0.00 H new ATOM 509 N ILE A 31 -15.012 -32.307 1.120 1.00 0.00 N ATOM 510 CA ILE A 31 -16.321 -32.767 0.673 1.00 0.00 C ATOM 511 C ILE A 31 -16.188 -33.829 -0.414 1.00 0.00 C ATOM 512 O ILE A 31 -15.425 -33.666 -1.365 1.00 0.00 O ATOM 513 CB ILE A 31 -17.174 -31.603 0.135 1.00 0.00 C ATOM 514 CG1 ILE A 31 -18.541 -32.113 -0.325 1.00 0.00 C ATOM 515 CG2 ILE A 31 -16.453 -30.901 -1.006 1.00 0.00 C ATOM 516 CD1 ILE A 31 -19.214 -31.211 -1.335 1.00 0.00 C ATOM 0 H ILE A 31 -14.360 -32.091 0.366 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.817 -33.199 1.542 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.328 -30.883 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.422 -33.106 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.191 -32.221 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.069 -30.081 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.502 -30.508 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.272 -31.611 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.178 -31.635 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.365 -30.224 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.585 -31.123 -2.221 1.00 0.00 H new ATOM 528 N ALA A 32 -16.937 -34.917 -0.265 1.00 0.00 N ATOM 529 CA ALA A 32 -16.906 -36.004 -1.235 1.00 0.00 C ATOM 530 C ALA A 32 -18.180 -36.029 -2.072 1.00 0.00 C ATOM 531 O ALA A 32 -19.128 -35.294 -1.800 1.00 0.00 O ATOM 532 CB ALA A 32 -16.710 -37.337 -0.528 1.00 0.00 C ATOM 0 H ALA A 32 -17.572 -35.069 0.518 1.00 0.00 H new ATOM 0 HA ALA A 32 -16.065 -35.835 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -16.689 -38.140 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.768 -37.323 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -17.532 -37.504 0.167 1.00 0.00 H new ATOM 538 N ASN A 33 -18.195 -36.880 -3.094 1.00 0.00 N ATOM 539 CA ASN A 33 -19.353 -36.999 -3.972 1.00 0.00 C ATOM 540 C ASN A 33 -20.173 -38.239 -3.626 1.00 0.00 C ATOM 541 O ASN A 33 -19.633 -39.242 -3.161 1.00 0.00 O ATOM 542 CB ASN A 33 -18.906 -37.061 -5.434 1.00 0.00 C ATOM 543 CG ASN A 33 -18.747 -38.486 -5.930 1.00 0.00 C ATOM 544 OD1 ASN A 33 -17.934 -39.268 -5.230 1.00 0.00 O flip ATOM 545 ND2 ASN A 33 -19.348 -38.877 -6.930 1.00 0.00 N flip ATOM 0 H ASN A 33 -17.419 -37.497 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 33 -19.980 -36.119 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -19.635 -36.542 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -17.959 -36.533 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -19.963 -38.240 -7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -19.231 -39.838 -7.252 1.00 0.00 H new ATOM 552 N ALA A 34 -21.479 -38.161 -3.857 1.00 0.00 N ATOM 553 CA ALA A 34 -22.373 -39.276 -3.573 1.00 0.00 C ATOM 554 C ALA A 34 -22.765 -40.006 -4.853 1.00 0.00 C ATOM 555 O ALA A 34 -23.774 -40.711 -4.893 1.00 0.00 O ATOM 556 CB ALA A 34 -23.614 -38.785 -2.842 1.00 0.00 C ATOM 0 H ALA A 34 -21.942 -37.337 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 34 -21.842 -39.980 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -24.273 -39.629 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -23.321 -38.316 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -24.138 -38.058 -3.463 1.00 0.00 H new ATOM 631 N CYS A 39 -14.296 -42.329 -7.359 1.00 0.00 N ATOM 632 CA CYS A 39 -13.747 -41.028 -7.723 1.00 0.00 C ATOM 633 C CYS A 39 -12.981 -40.415 -6.555 1.00 0.00 C ATOM 634 O CYS A 39 -12.917 -40.993 -5.471 1.00 0.00 O ATOM 635 CB CYS A 39 -14.866 -40.084 -8.167 1.00 0.00 C ATOM 636 SG CYS A 39 -14.500 -39.164 -9.679 1.00 0.00 S ATOM 0 HA CYS A 39 -13.054 -41.173 -8.552 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -15.777 -40.664 -8.319 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -15.069 -39.376 -7.364 1.00 0.00 H new ATOM 0 HG CYS A 39 -15.506 -38.396 -9.974 1.00 0.00 H new ATOM 642 N ALA A 40 -12.401 -39.241 -6.785 1.00 0.00 N ATOM 643 CA ALA A 40 -11.640 -38.550 -5.752 1.00 0.00 C ATOM 644 C ALA A 40 -12.492 -37.493 -5.058 1.00 0.00 C ATOM 645 O ALA A 40 -13.576 -37.148 -5.528 1.00 0.00 O ATOM 646 CB ALA A 40 -10.393 -37.915 -6.351 1.00 0.00 C ATOM 0 H ALA A 40 -12.444 -38.749 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.338 -39.284 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.834 -37.402 -5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.768 -38.690 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.683 -37.198 -7.119 1.00 0.00 H new ATOM 652 N VAL A 41 -11.995 -36.983 -3.935 1.00 0.00 N ATOM 653 CA VAL A 41 -12.711 -35.965 -3.176 1.00 0.00 C ATOM 654 C VAL A 41 -13.168 -34.825 -4.079 1.00 0.00 C ATOM 655 O VAL A 41 -12.473 -34.452 -5.024 1.00 0.00 O ATOM 656 CB VAL A 41 -11.837 -35.390 -2.045 1.00 0.00 C ATOM 657 CG1 VAL A 41 -12.649 -34.450 -1.167 1.00 0.00 C ATOM 658 CG2 VAL A 41 -11.229 -36.513 -1.219 1.00 0.00 C ATOM 0 H VAL A 41 -11.100 -37.258 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.584 -36.451 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.024 -34.818 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.015 -34.054 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -13.031 -33.627 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -13.484 -34.994 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.615 -36.089 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.025 -37.114 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.611 -37.142 -1.859 1.00 0.00 H new ATOM 668 N ILE A 42 -14.341 -34.276 -3.782 1.00 0.00 N ATOM 669 CA ILE A 42 -14.891 -33.178 -4.566 1.00 0.00 C ATOM 670 C ILE A 42 -14.131 -31.882 -4.304 1.00 0.00 C ATOM 671 O ILE A 42 -13.564 -31.287 -5.221 1.00 0.00 O ATOM 672 CB ILE A 42 -16.383 -32.956 -4.256 1.00 0.00 C ATOM 673 CG1 ILE A 42 -17.217 -34.119 -4.798 1.00 0.00 C ATOM 674 CG2 ILE A 42 -16.857 -31.637 -4.848 1.00 0.00 C ATOM 675 CD1 ILE A 42 -17.216 -34.212 -6.308 1.00 0.00 C ATOM 0 H ILE A 42 -14.929 -34.574 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.784 -33.455 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 42 -16.512 -32.913 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -16.836 -35.053 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -18.244 -34.012 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -17.913 -31.495 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.280 -30.818 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.718 -31.652 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -17.827 -35.059 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -17.625 -33.294 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -16.195 -34.350 -6.663 1.00 0.00 H new ATOM 687 N TYR A 43 -14.123 -31.450 -3.048 1.00 0.00 N ATOM 688 CA TYR A 43 -13.434 -30.224 -2.665 1.00 0.00 C ATOM 689 C TYR A 43 -12.664 -30.416 -1.362 1.00 0.00 C ATOM 690 O TYR A 43 -13.130 -31.097 -0.447 1.00 0.00 O ATOM 691 CB TYR A 43 -14.434 -29.077 -2.515 1.00 0.00 C ATOM 692 CG TYR A 43 -14.030 -27.820 -3.252 1.00 0.00 C ATOM 693 CD1 TYR A 43 -14.136 -27.738 -4.635 1.00 0.00 C ATOM 694 CD2 TYR A 43 -13.541 -26.716 -2.566 1.00 0.00 C ATOM 695 CE1 TYR A 43 -13.767 -26.592 -5.313 1.00 0.00 C ATOM 696 CE2 TYR A 43 -13.171 -25.565 -3.235 1.00 0.00 C ATOM 697 CZ TYR A 43 -13.286 -25.508 -4.608 1.00 0.00 C ATOM 698 OH TYR A 43 -12.917 -24.365 -5.279 1.00 0.00 O ATOM 0 H TYR A 43 -14.586 -31.931 -2.277 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.723 -29.976 -3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -15.407 -29.405 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -14.552 -28.845 -1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -14.513 -28.585 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -13.448 -26.758 -1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.855 -26.545 -6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.794 -24.715 -2.686 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.601 -23.696 -4.636 1.00 0.00 H new ATOM 708 N CYS A 44 -11.484 -29.811 -1.286 1.00 0.00 N ATOM 709 CA CYS A 44 -10.647 -29.915 -0.095 1.00 0.00 C ATOM 710 C CYS A 44 -10.181 -28.537 0.363 1.00 0.00 C ATOM 711 O CYS A 44 -9.757 -27.713 -0.446 1.00 0.00 O ATOM 712 CB CYS A 44 -9.438 -30.810 -0.372 1.00 0.00 C ATOM 713 SG CYS A 44 -9.823 -32.576 -0.423 1.00 0.00 S ATOM 0 H CYS A 44 -11.085 -29.244 -2.034 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.244 -30.360 0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.994 -30.518 -1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.686 -30.635 0.397 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.738 -33.250 -0.665 1.00 0.00 H new ATOM 719 N ASN A 45 -10.265 -28.293 1.667 1.00 0.00 N ATOM 720 CA ASN A 45 -9.854 -27.013 2.233 1.00 0.00 C ATOM 721 C ASN A 45 -8.341 -26.839 2.143 1.00 0.00 C ATOM 722 O ASN A 45 -7.639 -27.693 1.600 1.00 0.00 O ATOM 723 CB ASN A 45 -10.304 -26.909 3.692 1.00 0.00 C ATOM 724 CG ASN A 45 -10.639 -25.486 4.094 1.00 0.00 C ATOM 725 OD1 ASN A 45 -10.069 -25.036 5.206 1.00 0.00 O flip ATOM 726 ND2 ASN A 45 -11.400 -24.799 3.412 1.00 0.00 N flip ATOM 0 H ASN A 45 -10.614 -28.964 2.351 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.328 -26.220 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.178 -27.542 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.516 -27.291 4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.815 -25.186 2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.615 -23.843 3.694 1.00 0.00 H new ATOM 733 N ASP A 46 -7.846 -25.728 2.677 1.00 0.00 N ATOM 734 CA ASP A 46 -6.416 -25.442 2.659 1.00 0.00 C ATOM 735 C ASP A 46 -5.689 -26.239 3.737 1.00 0.00 C ATOM 736 O ASP A 46 -4.568 -26.702 3.531 1.00 0.00 O ATOM 737 CB ASP A 46 -6.171 -23.946 2.860 1.00 0.00 C ATOM 738 CG ASP A 46 -4.787 -23.521 2.412 1.00 0.00 C ATOM 739 OD1 ASP A 46 -4.554 -23.455 1.187 1.00 0.00 O ATOM 740 OD2 ASP A 46 -3.936 -23.254 3.286 1.00 0.00 O ATOM 0 H ASP A 46 -8.414 -25.011 3.128 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.023 -25.739 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.919 -23.380 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.301 -23.698 3.913 1.00 0.00 H new ATOM 745 N GLY A 47 -6.335 -26.393 4.889 1.00 0.00 N ATOM 746 CA GLY A 47 -5.734 -27.133 5.983 1.00 0.00 C ATOM 747 C GLY A 47 -5.249 -28.505 5.559 1.00 0.00 C ATOM 748 O GLY A 47 -4.100 -28.870 5.808 1.00 0.00 O ATOM 0 H GLY A 47 -7.264 -26.019 5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.896 -26.564 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.462 -27.241 6.787 1.00 0.00 H new ATOM 752 N PHE A 48 -6.126 -29.268 4.916 1.00 0.00 N ATOM 753 CA PHE A 48 -5.782 -30.609 4.457 1.00 0.00 C ATOM 754 C PHE A 48 -4.463 -30.599 3.689 1.00 0.00 C ATOM 755 O PHE A 48 -3.555 -31.377 3.985 1.00 0.00 O ATOM 756 CB PHE A 48 -6.897 -31.170 3.572 1.00 0.00 C ATOM 757 CG PHE A 48 -6.715 -32.621 3.227 1.00 0.00 C ATOM 758 CD1 PHE A 48 -5.984 -32.995 2.111 1.00 0.00 C ATOM 759 CD2 PHE A 48 -7.275 -33.610 4.019 1.00 0.00 C ATOM 760 CE1 PHE A 48 -5.815 -34.328 1.790 1.00 0.00 C ATOM 761 CE2 PHE A 48 -7.109 -34.946 3.703 1.00 0.00 C ATOM 762 CZ PHE A 48 -6.379 -35.305 2.587 1.00 0.00 C ATOM 0 H PHE A 48 -7.081 -28.981 4.701 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.667 -31.248 5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -7.853 -31.043 4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.946 -30.589 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.541 -32.235 1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.847 -33.335 4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.243 -34.606 0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.550 -35.708 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.249 -36.348 2.338 1.00 0.00 H new ATOM 772 N CYS A 49 -4.367 -29.715 2.703 1.00 0.00 N ATOM 773 CA CYS A 49 -3.161 -29.605 1.890 1.00 0.00 C ATOM 774 C CYS A 49 -1.964 -29.204 2.746 1.00 0.00 C ATOM 775 O CYS A 49 -0.847 -29.670 2.524 1.00 0.00 O ATOM 776 CB CYS A 49 -3.367 -28.584 0.770 1.00 0.00 C ATOM 777 SG CYS A 49 -2.583 -29.036 -0.795 1.00 0.00 S ATOM 0 H CYS A 49 -5.109 -29.064 2.447 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.959 -30.581 1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.436 -28.454 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.975 -27.620 1.095 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.293 -29.081 -0.637 1.00 0.00 H new ATOM 783 N GLU A 50 -2.206 -28.337 3.724 1.00 0.00 N ATOM 784 CA GLU A 50 -1.146 -27.872 4.612 1.00 0.00 C ATOM 785 C GLU A 50 -0.704 -28.983 5.559 1.00 0.00 C ATOM 786 O GLU A 50 0.404 -28.952 6.097 1.00 0.00 O ATOM 787 CB GLU A 50 -1.619 -26.659 5.416 1.00 0.00 C ATOM 788 CG GLU A 50 -1.914 -26.973 6.873 1.00 0.00 C ATOM 789 CD GLU A 50 -0.666 -26.970 7.734 1.00 0.00 C ATOM 790 OE1 GLU A 50 0.171 -26.060 7.564 1.00 0.00 O ATOM 791 OE2 GLU A 50 -0.528 -27.879 8.579 1.00 0.00 O ATOM 0 H GLU A 50 -3.126 -27.943 3.922 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.294 -27.581 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.856 -25.882 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.518 -26.253 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.622 -26.241 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.395 -27.949 6.940 1.00 0.00 H new ATOM 798 N LEU A 51 -1.577 -29.964 5.760 1.00 0.00 N ATOM 799 CA LEU A 51 -1.278 -31.086 6.643 1.00 0.00 C ATOM 800 C LEU A 51 -0.416 -32.124 5.932 1.00 0.00 C ATOM 801 O LEU A 51 0.658 -32.488 6.413 1.00 0.00 O ATOM 802 CB LEU A 51 -2.574 -31.733 7.134 1.00 0.00 C ATOM 803 CG LEU A 51 -2.911 -31.526 8.611 1.00 0.00 C ATOM 804 CD1 LEU A 51 -1.772 -32.015 9.492 1.00 0.00 C ATOM 805 CD2 LEU A 51 -3.210 -30.060 8.888 1.00 0.00 C ATOM 0 H LEU A 51 -2.498 -30.005 5.323 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.722 -30.704 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.399 -31.345 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.517 -32.804 6.942 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.801 -32.109 8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.030 -31.860 10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.604 -33.077 9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.865 -31.459 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.448 -29.930 9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.338 -29.457 8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.059 -29.741 8.283 1.00 0.00 H new ATOM 817 N CYS A 52 -0.891 -32.594 4.784 1.00 0.00 N ATOM 818 CA CYS A 52 -0.162 -33.590 4.006 1.00 0.00 C ATOM 819 C CYS A 52 0.954 -32.936 3.196 1.00 0.00 C ATOM 820 O CYS A 52 1.757 -33.620 2.562 1.00 0.00 O ATOM 821 CB CYS A 52 -1.116 -34.336 3.072 1.00 0.00 C ATOM 822 SG CYS A 52 -2.119 -33.255 2.024 1.00 0.00 S ATOM 0 H CYS A 52 -1.777 -32.302 4.371 1.00 0.00 H new ATOM 0 HA CYS A 52 0.286 -34.301 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.536 -35.005 2.436 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.779 -34.961 3.671 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.854 -32.486 2.771 1.00 0.00 H new ATOM 828 N GLY A 53 0.996 -31.608 3.222 1.00 0.00 N ATOM 829 CA GLY A 53 2.016 -30.884 2.485 1.00 0.00 C ATOM 830 C GLY A 53 2.025 -31.235 1.010 1.00 0.00 C ATOM 831 O GLY A 53 3.088 -31.363 0.402 1.00 0.00 O ATOM 0 H GLY A 53 0.343 -31.020 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.851 -29.813 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.994 -31.103 2.913 1.00 0.00 H new ATOM 835 N TYR A 54 0.839 -31.393 0.434 1.00 0.00 N ATOM 836 CA TYR A 54 0.714 -31.735 -0.977 1.00 0.00 C ATOM 837 C TYR A 54 0.487 -30.486 -1.823 1.00 0.00 C ATOM 838 O TYR A 54 0.444 -29.371 -1.304 1.00 0.00 O ATOM 839 CB TYR A 54 -0.437 -32.722 -1.185 1.00 0.00 C ATOM 840 CG TYR A 54 -0.010 -34.171 -1.124 1.00 0.00 C ATOM 841 CD1 TYR A 54 1.035 -34.574 -0.302 1.00 0.00 C ATOM 842 CD2 TYR A 54 -0.652 -35.137 -1.889 1.00 0.00 C ATOM 843 CE1 TYR A 54 1.429 -35.897 -0.244 1.00 0.00 C ATOM 844 CE2 TYR A 54 -0.266 -36.463 -1.836 1.00 0.00 C ATOM 845 CZ TYR A 54 0.775 -36.837 -1.012 1.00 0.00 C ATOM 846 OH TYR A 54 1.164 -38.156 -0.958 1.00 0.00 O ATOM 0 H TYR A 54 -0.050 -31.290 0.923 1.00 0.00 H new ATOM 0 HA TYR A 54 1.646 -32.202 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.199 -32.544 -0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.900 -32.529 -2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.548 -33.840 0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.467 -34.847 -2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.245 -36.193 0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.776 -37.202 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 54 0.601 -38.688 -1.558 1.00 0.00 H new ATOM 856 N SER A 55 0.340 -30.683 -3.130 1.00 0.00 N ATOM 857 CA SER A 55 0.120 -29.573 -4.050 1.00 0.00 C ATOM 858 C SER A 55 -1.367 -29.394 -4.339 1.00 0.00 C ATOM 859 O SER A 55 -2.152 -30.334 -4.214 1.00 0.00 O ATOM 860 CB SER A 55 0.881 -29.807 -5.356 1.00 0.00 C ATOM 861 OG SER A 55 2.053 -29.012 -5.413 1.00 0.00 O ATOM 0 H SER A 55 0.369 -31.600 -3.575 1.00 0.00 H new ATOM 0 HA SER A 55 0.493 -28.663 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.148 -30.860 -5.441 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.237 -29.572 -6.203 1.00 0.00 H new ATOM 0 HG SER A 55 2.522 -29.181 -6.257 1.00 0.00 H new ATOM 867 N ARG A 56 -1.746 -28.181 -4.727 1.00 0.00 N ATOM 868 CA ARG A 56 -3.139 -27.878 -5.034 1.00 0.00 C ATOM 869 C ARG A 56 -3.617 -28.679 -6.241 1.00 0.00 C ATOM 870 O ARG A 56 -4.817 -28.875 -6.433 1.00 0.00 O ATOM 871 CB ARG A 56 -3.310 -26.381 -5.301 1.00 0.00 C ATOM 872 CG ARG A 56 -4.753 -25.965 -5.533 1.00 0.00 C ATOM 873 CD ARG A 56 -4.887 -24.454 -5.636 1.00 0.00 C ATOM 874 NE ARG A 56 -4.773 -23.804 -4.334 1.00 0.00 N ATOM 875 CZ ARG A 56 -5.715 -23.862 -3.398 1.00 0.00 C ATOM 876 NH1 ARG A 56 -6.834 -24.537 -3.620 1.00 0.00 N ATOM 877 NH2 ARG A 56 -5.537 -23.244 -2.237 1.00 0.00 N ATOM 0 H ARG A 56 -1.109 -27.392 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.744 -28.158 -4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.911 -25.822 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.717 -26.106 -6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.124 -26.427 -6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.374 -26.332 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.117 -24.067 -6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.850 -24.205 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.924 -23.276 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.974 -25.014 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.555 -24.580 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.677 -22.724 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.260 -23.289 -1.519 1.00 0.00 H new ATOM 891 N ALA A 57 -2.670 -29.139 -7.052 1.00 0.00 N ATOM 892 CA ALA A 57 -2.994 -29.920 -8.239 1.00 0.00 C ATOM 893 C ALA A 57 -3.126 -31.402 -7.903 1.00 0.00 C ATOM 894 O ALA A 57 -3.606 -32.191 -8.716 1.00 0.00 O ATOM 895 CB ALA A 57 -1.936 -29.713 -9.313 1.00 0.00 C ATOM 0 H ALA A 57 -1.672 -28.984 -6.908 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.955 -29.574 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.191 -30.302 -10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.893 -28.658 -9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.965 -30.030 -8.933 1.00 0.00 H new ATOM 901 N GLU A 58 -2.696 -31.771 -6.701 1.00 0.00 N ATOM 902 CA GLU A 58 -2.766 -33.159 -6.259 1.00 0.00 C ATOM 903 C GLU A 58 -3.882 -33.349 -5.236 1.00 0.00 C ATOM 904 O GLU A 58 -4.668 -34.293 -5.326 1.00 0.00 O ATOM 905 CB GLU A 58 -1.428 -33.593 -5.656 1.00 0.00 C ATOM 906 CG GLU A 58 -0.370 -33.921 -6.695 1.00 0.00 C ATOM 907 CD GLU A 58 0.851 -34.591 -6.094 1.00 0.00 C ATOM 908 OE1 GLU A 58 1.024 -34.510 -4.860 1.00 0.00 O ATOM 909 OE2 GLU A 58 1.632 -35.197 -6.857 1.00 0.00 O ATOM 0 H GLU A 58 -2.296 -31.129 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.984 -33.780 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.056 -32.798 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.590 -34.468 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.801 -34.574 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.065 -33.004 -7.200 1.00 0.00 H new ATOM 916 N VAL A 59 -3.946 -32.446 -4.263 1.00 0.00 N ATOM 917 CA VAL A 59 -4.966 -32.513 -3.224 1.00 0.00 C ATOM 918 C VAL A 59 -6.367 -32.509 -3.827 1.00 0.00 C ATOM 919 O VAL A 59 -7.322 -32.976 -3.206 1.00 0.00 O ATOM 920 CB VAL A 59 -4.841 -31.336 -2.238 1.00 0.00 C ATOM 921 CG1 VAL A 59 -5.193 -30.025 -2.923 1.00 0.00 C ATOM 922 CG2 VAL A 59 -5.724 -31.565 -1.020 1.00 0.00 C ATOM 0 H VAL A 59 -3.303 -31.659 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.808 -33.447 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.806 -31.275 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.099 -29.205 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.515 -29.858 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.218 -30.070 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.623 -30.724 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.764 -31.653 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.419 -32.482 -0.516 1.00 0.00 H new ATOM 932 N MET A 60 -6.481 -31.980 -5.040 1.00 0.00 N ATOM 933 CA MET A 60 -7.765 -31.917 -5.728 1.00 0.00 C ATOM 934 C MET A 60 -7.953 -33.125 -6.640 1.00 0.00 C ATOM 935 O MET A 60 -8.460 -33.000 -7.754 1.00 0.00 O ATOM 936 CB MET A 60 -7.869 -30.627 -6.544 1.00 0.00 C ATOM 937 CG MET A 60 -8.185 -29.400 -5.704 1.00 0.00 C ATOM 938 SD MET A 60 -9.902 -28.875 -5.859 1.00 0.00 S ATOM 939 CE MET A 60 -9.691 -27.187 -6.418 1.00 0.00 C ATOM 0 H MET A 60 -5.700 -31.589 -5.567 1.00 0.00 H new ATOM 0 HA MET A 60 -8.553 -31.926 -4.975 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.929 -30.464 -7.072 1.00 0.00 H new ATOM 0 HB3 MET A 60 -8.643 -30.748 -7.302 1.00 0.00 H new ATOM 0 HG2 MET A 60 -7.968 -29.615 -4.658 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.531 -28.581 -6.003 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.668 -26.726 -6.560 1.00 0.00 H new ATOM 0 HE2 MET A 60 -9.129 -26.624 -5.673 1.00 0.00 H new ATOM 0 HE3 MET A 60 -9.147 -27.182 -7.363 1.00 0.00 H new ATOM 949 N GLN A 61 -7.541 -34.294 -6.159 1.00 0.00 N ATOM 950 CA GLN A 61 -7.664 -35.524 -6.932 1.00 0.00 C ATOM 951 C GLN A 61 -7.244 -36.733 -6.103 1.00 0.00 C ATOM 952 O GLN A 61 -6.726 -37.714 -6.636 1.00 0.00 O ATOM 953 CB GLN A 61 -6.813 -35.441 -8.201 1.00 0.00 C ATOM 954 CG GLN A 61 -7.170 -36.489 -9.242 1.00 0.00 C ATOM 955 CD GLN A 61 -5.964 -37.282 -9.708 1.00 0.00 C ATOM 956 OE1 GLN A 61 -5.404 -36.893 -10.848 1.00 0.00 O flip ATOM 957 NE2 GLN A 61 -5.541 -38.234 -9.051 1.00 0.00 N flip ATOM 0 H GLN A 61 -7.119 -34.415 -5.238 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.711 -35.644 -7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.927 -34.450 -8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.762 -35.551 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.911 -37.172 -8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.633 -36.001 -10.100 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.002 -38.498 -8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.729 -38.758 -9.377 1.00 0.00 H new ATOM 966 N ARG A 62 -7.470 -36.655 -4.796 1.00 0.00 N ATOM 967 CA ARG A 62 -7.114 -37.742 -3.892 1.00 0.00 C ATOM 968 C ARG A 62 -8.363 -38.428 -3.348 1.00 0.00 C ATOM 969 O ARG A 62 -9.436 -37.832 -3.249 1.00 0.00 O ATOM 970 CB ARG A 62 -6.264 -37.214 -2.735 1.00 0.00 C ATOM 971 CG ARG A 62 -5.081 -36.371 -3.183 1.00 0.00 C ATOM 972 CD ARG A 62 -3.759 -37.009 -2.784 1.00 0.00 C ATOM 973 NE ARG A 62 -2.761 -36.909 -3.845 1.00 0.00 N ATOM 974 CZ ARG A 62 -2.822 -37.600 -4.978 1.00 0.00 C ATOM 975 NH1 ARG A 62 -3.829 -38.435 -5.196 1.00 0.00 N ATOM 976 NH2 ARG A 62 -1.875 -37.455 -5.896 1.00 0.00 N ATOM 0 H ARG A 62 -7.898 -35.850 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.535 -38.474 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.894 -36.618 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.897 -38.058 -2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.113 -36.244 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.154 -35.377 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.380 -36.526 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.923 -38.058 -2.538 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.974 -36.274 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.559 -38.548 -4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.873 -38.964 -6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.100 -36.813 -5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.922 -37.986 -6.766 1.00 0.00 H new ATOM 990 N PRO A 63 -8.223 -39.713 -2.987 1.00 0.00 N ATOM 991 CA PRO A 63 -9.329 -40.508 -2.447 1.00 0.00 C ATOM 992 C PRO A 63 -9.739 -40.058 -1.049 1.00 0.00 C ATOM 993 O PRO A 63 -8.910 -39.580 -0.273 1.00 0.00 O ATOM 994 CB PRO A 63 -8.758 -41.928 -2.406 1.00 0.00 C ATOM 995 CG PRO A 63 -7.284 -41.741 -2.308 1.00 0.00 C ATOM 996 CD PRO A 63 -6.974 -40.487 -3.078 1.00 0.00 C ATOM 0 HA PRO A 63 -10.231 -40.414 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.144 -42.485 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.027 -42.489 -3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.971 -41.648 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.753 -42.597 -2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.134 -39.946 -2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.711 -40.706 -4.113 1.00 0.00 H new ATOM 1004 N CYS A 64 -11.020 -40.215 -0.734 1.00 0.00 N ATOM 1005 CA CYS A 64 -11.539 -39.824 0.572 1.00 0.00 C ATOM 1006 C CYS A 64 -11.268 -40.906 1.612 1.00 0.00 C ATOM 1007 O CYS A 64 -11.664 -40.783 2.771 1.00 0.00 O ATOM 1008 CB CYS A 64 -13.041 -39.547 0.485 1.00 0.00 C ATOM 1009 SG CYS A 64 -13.505 -37.851 0.905 1.00 0.00 S ATOM 0 H CYS A 64 -11.718 -40.610 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.026 -38.913 0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.382 -39.765 -0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.565 -40.231 1.152 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.540 -37.718 2.198 1.00 0.00 H new ATOM 1015 N THR A 65 -10.591 -41.969 1.188 1.00 0.00 N ATOM 1016 CA THR A 65 -10.269 -43.076 2.081 1.00 0.00 C ATOM 1017 C THR A 65 -8.897 -42.887 2.718 1.00 0.00 C ATOM 1018 O THR A 65 -8.417 -43.755 3.449 1.00 0.00 O ATOM 1019 CB THR A 65 -10.296 -44.424 1.337 1.00 0.00 C ATOM 1020 OG1 THR A 65 -11.329 -44.416 0.345 1.00 0.00 O ATOM 1021 CG2 THR A 65 -10.527 -45.573 2.307 1.00 0.00 C ATOM 0 H THR A 65 -10.255 -42.087 0.232 1.00 0.00 H new ATOM 0 HA THR A 65 -11.030 -43.085 2.861 1.00 0.00 H new ATOM 0 HB THR A 65 -9.330 -44.566 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.338 -45.276 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.542 -46.515 1.758 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.724 -45.595 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.481 -45.434 2.815 1.00 0.00 H new ATOM 1029 N CYS A 66 -8.271 -41.750 2.437 1.00 0.00 N ATOM 1030 CA CYS A 66 -6.952 -41.448 2.983 1.00 0.00 C ATOM 1031 C CYS A 66 -5.925 -42.477 2.523 1.00 0.00 C ATOM 1032 O CYS A 66 -4.988 -42.803 3.253 1.00 0.00 O ATOM 1033 CB CYS A 66 -7.007 -41.412 4.511 1.00 0.00 C ATOM 1034 SG CYS A 66 -8.364 -40.420 5.178 1.00 0.00 S ATOM 0 H CYS A 66 -8.655 -41.022 1.835 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.648 -40.468 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -7.099 -42.432 4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.063 -41.018 4.889 1.00 0.00 H new ATOM 0 HG CYS A 66 -7.883 -39.482 5.939 1.00 0.00 H new ATOM 1040 N ASP A 67 -6.107 -42.985 1.310 1.00 0.00 N ATOM 1041 CA ASP A 67 -5.196 -43.978 0.752 1.00 0.00 C ATOM 1042 C ASP A 67 -3.777 -43.425 0.664 1.00 0.00 C ATOM 1043 O ASP A 67 -2.819 -44.074 1.084 1.00 0.00 O ATOM 1044 CB ASP A 67 -5.672 -44.417 -0.634 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.741 -45.429 -1.273 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -4.658 -46.565 -0.761 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.096 -45.085 -2.285 1.00 0.00 O ATOM 0 H ASP A 67 -6.877 -42.726 0.694 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.190 -44.842 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.670 -44.847 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.753 -43.543 -1.281 1.00 0.00 H new ATOM 1052 N PHE A 68 -3.650 -42.221 0.115 1.00 0.00 N ATOM 1053 CA PHE A 68 -2.347 -41.581 -0.030 1.00 0.00 C ATOM 1054 C PHE A 68 -1.790 -41.169 1.329 1.00 0.00 C ATOM 1055 O PHE A 68 -0.648 -40.719 1.434 1.00 0.00 O ATOM 1056 CB PHE A 68 -2.456 -40.357 -0.942 1.00 0.00 C ATOM 1057 CG PHE A 68 -2.793 -39.091 -0.208 1.00 0.00 C ATOM 1058 CD1 PHE A 68 -1.791 -38.298 0.328 1.00 0.00 C ATOM 1059 CD2 PHE A 68 -4.111 -38.694 -0.055 1.00 0.00 C ATOM 1060 CE1 PHE A 68 -2.099 -37.133 1.004 1.00 0.00 C ATOM 1061 CE2 PHE A 68 -4.425 -37.529 0.620 1.00 0.00 C ATOM 1062 CZ PHE A 68 -3.417 -36.747 1.150 1.00 0.00 C ATOM 0 H PHE A 68 -4.433 -41.669 -0.236 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.663 -42.301 -0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.512 -40.221 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.219 -40.544 -1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.758 -38.594 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.903 -39.302 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.309 -36.524 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.457 -37.231 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.659 -35.836 1.677 1.00 0.00 H new ATOM 1072 N LEU A 69 -2.603 -41.326 2.367 1.00 0.00 N ATOM 1073 CA LEU A 69 -2.192 -40.970 3.721 1.00 0.00 C ATOM 1074 C LEU A 69 -1.957 -42.219 4.565 1.00 0.00 C ATOM 1075 O LEU A 69 -1.459 -42.138 5.688 1.00 0.00 O ATOM 1076 CB LEU A 69 -3.253 -40.087 4.382 1.00 0.00 C ATOM 1077 CG LEU A 69 -3.581 -38.780 3.660 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -5.086 -38.613 3.516 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -2.981 -37.595 4.404 1.00 0.00 C ATOM 0 H LEU A 69 -3.550 -41.697 2.298 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.256 -40.416 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.171 -40.666 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.920 -39.848 5.392 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.143 -38.818 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.301 -37.677 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.491 -39.446 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.546 -38.596 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.224 -36.673 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.390 -37.554 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.898 -37.708 4.456 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.316 -43.375 4.015 1.00 0.00 N ATOM 1092 CA HIS A 70 -2.141 -44.642 4.716 1.00 0.00 C ATOM 1093 C HIS A 70 -0.977 -45.433 4.126 1.00 0.00 C ATOM 1094 O HIS A 70 -0.681 -45.327 2.936 1.00 0.00 O ATOM 1095 CB HIS A 70 -3.424 -45.470 4.644 1.00 0.00 C ATOM 1096 CG HIS A 70 -3.283 -46.845 5.220 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -3.584 -47.146 6.532 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -2.871 -48.004 4.655 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -3.361 -48.430 6.749 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -2.929 -48.974 5.625 1.00 0.00 N ATOM 0 H HIS A 70 -2.730 -43.460 3.087 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.917 -44.424 5.760 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.217 -44.943 5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.736 -45.552 3.603 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.555 -48.140 3.631 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.507 -48.947 7.686 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.679 -49.955 5.499 1.00 0.00 H new ATOM 1108 N GLY A 71 -0.320 -46.226 4.966 1.00 0.00 N ATOM 1109 CA GLY A 71 0.804 -47.023 4.510 1.00 0.00 C ATOM 1110 C GLY A 71 0.709 -48.468 4.956 1.00 0.00 C ATOM 1111 O GLY A 71 -0.211 -48.860 5.674 1.00 0.00 O ATOM 0 H GLY A 71 -0.546 -46.331 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.855 -46.985 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.730 -46.589 4.888 1.00 0.00 H new ATOM 1115 N PRO A 72 1.678 -49.289 4.523 1.00 0.00 N ATOM 1116 CA PRO A 72 1.722 -50.713 4.869 1.00 0.00 C ATOM 1117 C PRO A 72 2.049 -50.942 6.341 1.00 0.00 C ATOM 1118 O PRO A 72 2.089 -52.081 6.808 1.00 0.00 O ATOM 1119 CB PRO A 72 2.842 -51.260 3.981 1.00 0.00 C ATOM 1120 CG PRO A 72 3.717 -50.086 3.710 1.00 0.00 C ATOM 1121 CD PRO A 72 2.806 -48.891 3.664 1.00 0.00 C ATOM 0 HA PRO A 72 0.760 -51.200 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.392 -52.056 4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.445 -51.680 3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.470 -49.973 4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.250 -50.206 2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.300 -47.995 4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.480 -48.673 2.647 1.00 0.00 H new ATOM 1129 N ARG A 73 2.281 -49.854 7.067 1.00 0.00 N ATOM 1130 CA ARG A 73 2.606 -49.937 8.486 1.00 0.00 C ATOM 1131 C ARG A 73 1.590 -49.164 9.322 1.00 0.00 C ATOM 1132 O ARG A 73 1.568 -49.273 10.549 1.00 0.00 O ATOM 1133 CB ARG A 73 4.013 -49.393 8.742 1.00 0.00 C ATOM 1134 CG ARG A 73 4.907 -50.354 9.508 1.00 0.00 C ATOM 1135 CD ARG A 73 5.086 -49.918 10.953 1.00 0.00 C ATOM 1136 NE ARG A 73 6.165 -48.945 11.102 1.00 0.00 N ATOM 1137 CZ ARG A 73 6.584 -48.487 12.276 1.00 0.00 C ATOM 1138 NH1 ARG A 73 6.019 -48.912 13.398 1.00 0.00 N ATOM 1139 NH2 ARG A 73 7.572 -47.602 12.330 1.00 0.00 N ATOM 0 H ARG A 73 2.250 -48.904 6.696 1.00 0.00 H new ATOM 0 HA ARG A 73 2.571 -50.986 8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.482 -49.157 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.937 -48.459 9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.476 -51.355 9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.881 -50.413 9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.155 -49.485 11.319 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.297 -50.791 11.571 1.00 0.00 H new ATOM 0 HE ARG A 73 6.622 -48.598 10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.260 -49.593 13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.343 -48.558 14.298 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.010 -47.273 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.893 -47.251 13.232 1.00 0.00 H new ATOM 1153 N THR A 74 0.750 -48.382 8.651 1.00 0.00 N ATOM 1154 CA THR A 74 -0.266 -47.590 9.331 1.00 0.00 C ATOM 1155 C THR A 74 -1.427 -48.464 9.791 1.00 0.00 C ATOM 1156 O THR A 74 -1.619 -49.571 9.289 1.00 0.00 O ATOM 1157 CB THR A 74 -0.809 -46.472 8.421 1.00 0.00 C ATOM 1158 OG1 THR A 74 0.268 -45.857 7.704 1.00 0.00 O ATOM 1159 CG2 THR A 74 -1.548 -45.421 9.236 1.00 0.00 C ATOM 0 H THR A 74 0.754 -48.281 7.636 1.00 0.00 H new ATOM 0 HA THR A 74 0.213 -47.140 10.200 1.00 0.00 H new ATOM 0 HB THR A 74 -1.508 -46.918 7.714 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.013 -44.974 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.922 -44.642 8.572 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.385 -45.886 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.867 -44.980 9.964 1.00 0.00 H new ATOM 1167 N GLN A 75 -2.199 -47.958 10.748 1.00 0.00 N ATOM 1168 CA GLN A 75 -3.342 -48.694 11.275 1.00 0.00 C ATOM 1169 C GLN A 75 -4.361 -48.978 10.176 1.00 0.00 C ATOM 1170 O GLN A 75 -5.039 -48.070 9.695 1.00 0.00 O ATOM 1171 CB GLN A 75 -4.003 -47.908 12.408 1.00 0.00 C ATOM 1172 CG GLN A 75 -3.051 -47.554 13.539 1.00 0.00 C ATOM 1173 CD GLN A 75 -2.114 -48.693 13.891 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -2.550 -49.758 14.330 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -0.818 -48.475 13.699 1.00 0.00 N ATOM 0 H GLN A 75 -2.054 -47.042 11.174 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.980 -49.646 11.665 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -4.429 -46.990 12.002 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.830 -48.493 12.810 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.464 -46.680 13.255 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.628 -47.277 14.421 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.501 -47.577 13.333 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.140 -49.205 13.917 1.00 0.00 H new ATOM 1184 N ARG A 76 -4.463 -50.244 9.783 1.00 0.00 N ATOM 1185 CA ARG A 76 -5.398 -50.646 8.739 1.00 0.00 C ATOM 1186 C ARG A 76 -6.829 -50.278 9.119 1.00 0.00 C ATOM 1187 O ARG A 76 -7.686 -50.103 8.253 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.297 -52.152 8.488 1.00 0.00 C ATOM 1189 CG ARG A 76 -5.220 -52.520 7.015 1.00 0.00 C ATOM 1190 CD ARG A 76 -4.771 -53.960 6.823 1.00 0.00 C ATOM 1191 NE ARG A 76 -5.898 -54.889 6.814 1.00 0.00 N ATOM 1192 CZ ARG A 76 -5.765 -56.208 6.898 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -4.559 -56.750 6.999 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -6.839 -56.987 6.883 1.00 0.00 N ATOM 0 H ARG A 76 -3.910 -51.008 10.172 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.135 -50.113 7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.414 -52.538 8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.162 -52.645 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.196 -52.377 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.526 -51.851 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.223 -54.047 5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.082 -54.234 7.622 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.839 -54.504 6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.731 -56.154 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.459 -57.763 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.768 -56.573 6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.735 -58.000 6.948 1.00 0.00 H new ATOM 1208 N ARG A 77 -7.079 -50.163 10.419 1.00 0.00 N ATOM 1209 CA ARG A 77 -8.406 -49.817 10.914 1.00 0.00 C ATOM 1210 C ARG A 77 -8.891 -48.507 10.300 1.00 0.00 C ATOM 1211 O ARG A 77 -10.090 -48.234 10.263 1.00 0.00 O ATOM 1212 CB ARG A 77 -8.392 -49.704 12.439 1.00 0.00 C ATOM 1213 CG ARG A 77 -8.607 -51.029 13.151 1.00 0.00 C ATOM 1214 CD ARG A 77 -7.721 -51.151 14.381 1.00 0.00 C ATOM 1215 NE ARG A 77 -8.244 -52.124 15.337 1.00 0.00 N ATOM 1216 CZ ARG A 77 -9.349 -51.933 16.049 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -10.045 -50.813 15.911 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -9.761 -52.865 16.899 1.00 0.00 N ATOM 0 H ARG A 77 -6.380 -50.304 11.148 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.093 -50.611 10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.438 -49.283 12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.168 -49.004 12.750 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.653 -51.120 13.444 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.395 -51.850 12.466 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.717 -51.445 14.077 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.635 -50.178 14.864 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.733 -52.997 15.465 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.732 -50.096 15.257 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.893 -50.669 16.459 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.229 -53.729 17.006 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.610 -52.718 17.445 1.00 0.00 H new ATOM 1232 N ALA A 78 -7.950 -47.700 9.820 1.00 0.00 N ATOM 1233 CA ALA A 78 -8.281 -46.420 9.207 1.00 0.00 C ATOM 1234 C ALA A 78 -9.122 -46.615 7.950 1.00 0.00 C ATOM 1235 O ALA A 78 -10.234 -46.097 7.850 1.00 0.00 O ATOM 1236 CB ALA A 78 -7.012 -45.648 8.880 1.00 0.00 C ATOM 0 H ALA A 78 -6.952 -47.911 9.844 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.870 -45.844 9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.274 -44.694 8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.449 -45.469 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.402 -46.227 8.187 1.00 0.00 H new ATOM 1242 N ALA A 79 -8.584 -47.364 6.994 1.00 0.00 N ATOM 1243 CA ALA A 79 -9.287 -47.628 5.744 1.00 0.00 C ATOM 1244 C ALA A 79 -10.530 -48.477 5.982 1.00 0.00 C ATOM 1245 O ALA A 79 -11.534 -48.334 5.284 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.359 -48.313 4.752 1.00 0.00 C ATOM 0 H ALA A 79 -7.664 -47.799 7.061 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.606 -46.673 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.897 -48.504 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.503 -47.669 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.011 -49.257 5.171 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.457 -49.362 6.971 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.578 -50.233 7.301 1.00 0.00 C ATOM 1254 C ALA A 80 -12.735 -49.438 7.894 1.00 0.00 C ATOM 1255 O ALA A 80 -13.870 -49.535 7.427 1.00 0.00 O ATOM 1256 CB ALA A 80 -11.133 -51.322 8.266 1.00 0.00 C ATOM 0 H ALA A 80 -9.633 -49.494 7.558 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.927 -50.699 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.980 -51.965 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.344 -51.916 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.756 -50.865 9.181 1.00 0.00 H new ATOM 1262 N GLN A 81 -12.441 -48.653 8.926 1.00 0.00 N ATOM 1263 CA GLN A 81 -13.459 -47.842 9.583 1.00 0.00 C ATOM 1264 C GLN A 81 -14.097 -46.867 8.599 1.00 0.00 C ATOM 1265 O GLN A 81 -15.321 -46.743 8.539 1.00 0.00 O ATOM 1266 CB GLN A 81 -12.850 -47.075 10.758 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.784 -47.883 12.044 1.00 0.00 C ATOM 1268 CD GLN A 81 -12.814 -49.378 11.796 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -13.883 -49.981 11.695 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -11.637 -49.985 11.695 1.00 0.00 N ATOM 0 H GLN A 81 -11.507 -48.562 9.325 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.234 -48.510 9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.844 -46.754 10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.436 -46.173 10.935 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.872 -47.626 12.583 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.622 -47.608 12.685 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.776 -49.446 11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.594 -50.990 11.527 1.00 0.00 H new ATOM 1279 N ILE A 82 -13.261 -46.177 7.831 1.00 0.00 N ATOM 1280 CA ILE A 82 -13.744 -45.214 6.850 1.00 0.00 C ATOM 1281 C ILE A 82 -14.513 -45.907 5.731 1.00 0.00 C ATOM 1282 O ILE A 82 -15.440 -45.338 5.155 1.00 0.00 O ATOM 1283 CB ILE A 82 -12.585 -44.405 6.237 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -13.124 -43.170 5.512 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -11.779 -45.275 5.284 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -13.117 -41.919 6.363 1.00 0.00 C ATOM 0 H ILE A 82 -12.246 -46.267 7.869 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.412 -44.534 7.379 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.927 -44.073 7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.527 -42.994 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -14.143 -43.369 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -10.964 -44.690 4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.370 -46.127 5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.426 -45.632 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.512 -41.084 5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.738 -42.076 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.096 -41.695 6.673 1.00 0.00 H new ATOM 1298 N ALA A 83 -14.123 -47.141 5.429 1.00 0.00 N ATOM 1299 CA ALA A 83 -14.778 -47.915 4.381 1.00 0.00 C ATOM 1300 C ALA A 83 -16.209 -48.268 4.773 1.00 0.00 C ATOM 1301 O ALA A 83 -17.145 -48.037 4.008 1.00 0.00 O ATOM 1302 CB ALA A 83 -13.984 -49.178 4.083 1.00 0.00 C ATOM 0 H ALA A 83 -13.357 -47.626 5.895 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.816 -47.302 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.485 -49.746 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.981 -48.908 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.916 -49.786 4.985 1.00 0.00 H new ATOM 1308 N GLN A 84 -16.369 -48.829 5.967 1.00 0.00 N ATOM 1309 CA GLN A 84 -17.687 -49.214 6.458 1.00 0.00 C ATOM 1310 C GLN A 84 -18.560 -47.987 6.697 1.00 0.00 C ATOM 1311 O GLN A 84 -19.763 -48.010 6.442 1.00 0.00 O ATOM 1312 CB GLN A 84 -17.556 -50.022 7.751 1.00 0.00 C ATOM 1313 CG GLN A 84 -18.864 -50.165 8.513 1.00 0.00 C ATOM 1314 CD GLN A 84 -20.027 -50.530 7.613 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -19.791 -51.449 6.684 1.00 0.00 O flip ATOM 1316 NE2 GLN A 84 -21.127 -49.993 7.752 1.00 0.00 N flip ATOM 0 H GLN A 84 -15.604 -49.027 6.612 1.00 0.00 H new ATOM 0 HA GLN A 84 -18.164 -49.832 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.173 -51.014 7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -16.820 -49.543 8.396 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -18.751 -50.930 9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.086 -49.229 9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.264 -49.291 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -21.901 -50.250 7.140 1.00 0.00 H new ATOM 1325 N ALA A 85 -17.944 -46.916 7.189 1.00 0.00 N ATOM 1326 CA ALA A 85 -18.665 -45.679 7.461 1.00 0.00 C ATOM 1327 C ALA A 85 -19.157 -45.035 6.170 1.00 0.00 C ATOM 1328 O ALA A 85 -20.260 -44.488 6.118 1.00 0.00 O ATOM 1329 CB ALA A 85 -17.779 -44.711 8.232 1.00 0.00 C ATOM 0 H ALA A 85 -16.948 -46.881 7.407 1.00 0.00 H new ATOM 0 HA ALA A 85 -19.536 -45.921 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.330 -43.791 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -17.481 -45.165 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -16.891 -44.483 7.643 1.00 0.00 H new ATOM 1335 N LEU A 86 -18.334 -45.103 5.129 1.00 0.00 N ATOM 1336 CA LEU A 86 -18.686 -44.525 3.837 1.00 0.00 C ATOM 1337 C LEU A 86 -19.757 -45.359 3.141 1.00 0.00 C ATOM 1338 O LEU A 86 -20.649 -44.821 2.483 1.00 0.00 O ATOM 1339 CB LEU A 86 -17.446 -44.423 2.947 1.00 0.00 C ATOM 1340 CG LEU A 86 -17.522 -43.412 1.803 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -16.535 -42.277 2.027 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -17.258 -44.095 0.469 1.00 0.00 C ATOM 0 H LEU A 86 -17.419 -45.553 5.155 1.00 0.00 H new ATOM 0 HA LEU A 86 -19.085 -43.526 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -16.593 -44.167 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.246 -45.407 2.523 1.00 0.00 H new ATOM 0 HG LEU A 86 -18.528 -42.992 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -16.603 -41.567 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -16.770 -41.770 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.523 -42.679 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -17.316 -43.360 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -16.264 -44.543 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.004 -44.872 0.304 1.00 0.00 H new ATOM 1354 N LEU A 87 -19.666 -46.676 3.293 1.00 0.00 N ATOM 1355 CA LEU A 87 -20.629 -47.585 2.681 1.00 0.00 C ATOM 1356 C LEU A 87 -22.046 -47.273 3.150 1.00 0.00 C ATOM 1357 O LEU A 87 -23.015 -47.498 2.425 1.00 0.00 O ATOM 1358 CB LEU A 87 -20.276 -49.035 3.018 1.00 0.00 C ATOM 1359 CG LEU A 87 -21.265 -50.096 2.534 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -20.529 -51.238 1.850 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -22.100 -50.616 3.694 1.00 0.00 C ATOM 0 H LEU A 87 -18.935 -47.138 3.835 1.00 0.00 H new ATOM 0 HA LEU A 87 -20.585 -47.448 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -19.298 -49.258 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -20.181 -49.123 4.100 1.00 0.00 H new ATOM 0 HG LEU A 87 -21.936 -49.636 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -21.248 -51.984 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -19.976 -50.853 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -19.835 -51.697 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -22.798 -51.370 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -21.445 -51.059 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -22.656 -49.792 4.140 1.00 0.00 H new ATOM 1373 N GLY A 88 -22.160 -46.750 4.367 1.00 0.00 N ATOM 1374 CA GLY A 88 -23.463 -46.413 4.911 1.00 0.00 C ATOM 1375 C GLY A 88 -23.722 -44.920 4.913 1.00 0.00 C ATOM 1376 O GLY A 88 -24.859 -44.480 5.082 1.00 0.00 O ATOM 0 H GLY A 88 -21.373 -46.554 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -24.237 -46.912 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -23.537 -46.793 5.930 1.00 0.00 H new ATOM 1380 N ALA A 89 -22.664 -44.137 4.727 1.00 0.00 N ATOM 1381 CA ALA A 89 -22.782 -42.684 4.707 1.00 0.00 C ATOM 1382 C ALA A 89 -23.491 -42.175 5.958 1.00 0.00 C ATOM 1383 O ALA A 89 -24.351 -41.298 5.880 1.00 0.00 O ATOM 1384 CB ALA A 89 -23.522 -42.232 3.457 1.00 0.00 C ATOM 0 H ALA A 89 -21.715 -44.485 4.588 1.00 0.00 H new ATOM 0 HA ALA A 89 -21.777 -42.262 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -23.603 -41.145 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -22.974 -42.557 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -24.520 -42.670 3.447 1.00 0.00 H new ATOM 1390 N GLU A 90 -23.124 -42.730 7.108 1.00 0.00 N ATOM 1391 CA GLU A 90 -23.727 -42.332 8.375 1.00 0.00 C ATOM 1392 C GLU A 90 -22.727 -41.569 9.238 1.00 0.00 C ATOM 1393 O GLU A 90 -21.517 -41.758 9.117 1.00 0.00 O ATOM 1394 CB GLU A 90 -24.238 -43.560 9.131 1.00 0.00 C ATOM 1395 CG GLU A 90 -24.832 -43.234 10.491 1.00 0.00 C ATOM 1396 CD GLU A 90 -25.295 -44.470 11.237 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -25.142 -45.584 10.691 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -25.810 -44.325 12.365 1.00 0.00 O ATOM 0 H GLU A 90 -22.412 -43.456 7.189 1.00 0.00 H new ATOM 0 HA GLU A 90 -24.568 -41.674 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -24.993 -44.061 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -23.416 -44.264 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -24.089 -42.709 11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -25.675 -42.555 10.362 1.00 0.00 H new ATOM 1405 N GLU A 91 -23.242 -40.705 10.107 1.00 0.00 N ATOM 1406 CA GLU A 91 -22.393 -39.912 10.989 1.00 0.00 C ATOM 1407 C GLU A 91 -21.504 -40.812 11.842 1.00 0.00 C ATOM 1408 O GLU A 91 -21.944 -41.355 12.856 1.00 0.00 O ATOM 1409 CB GLU A 91 -23.249 -39.019 11.890 1.00 0.00 C ATOM 1410 CG GLU A 91 -24.310 -39.779 12.669 1.00 0.00 C ATOM 1411 CD GLU A 91 -25.703 -39.220 12.455 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -25.881 -37.995 12.621 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -26.614 -40.006 12.122 1.00 0.00 O ATOM 0 H GLU A 91 -24.242 -40.536 10.219 1.00 0.00 H new ATOM 0 HA GLU A 91 -21.754 -39.283 10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -22.599 -38.496 12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -23.734 -38.259 11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -24.293 -40.827 12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -24.069 -39.746 13.731 1.00 0.00 H new ATOM 1420 N ARG A 92 -20.252 -40.965 11.424 1.00 0.00 N ATOM 1421 CA ARG A 92 -19.301 -41.800 12.149 1.00 0.00 C ATOM 1422 C ARG A 92 -17.917 -41.159 12.166 1.00 0.00 C ATOM 1423 O ARG A 92 -17.502 -40.526 11.194 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.224 -43.190 11.513 1.00 0.00 C ATOM 1425 CG ARG A 92 -19.881 -44.278 12.346 1.00 0.00 C ATOM 1426 CD ARG A 92 -18.847 -45.132 13.063 1.00 0.00 C ATOM 1427 NE ARG A 92 -18.635 -46.412 12.393 1.00 0.00 N ATOM 1428 CZ ARG A 92 -17.867 -47.379 12.881 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -17.241 -47.213 14.038 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -17.723 -48.516 12.213 1.00 0.00 N ATOM 0 H ARG A 92 -19.872 -40.522 10.587 1.00 0.00 H new ATOM 0 HA ARG A 92 -19.650 -41.896 13.177 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.699 -43.158 10.532 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -18.178 -43.449 11.352 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.550 -43.824 13.077 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.494 -44.910 11.703 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.903 -44.590 13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -19.171 -45.309 14.089 1.00 0.00 H new ATOM 0 HE ARG A 92 -19.103 -46.572 11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.349 -46.341 14.556 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.652 -47.958 14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.203 -48.649 11.323 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -17.133 -49.258 12.590 1.00 0.00 H new ATOM 1444 N LYS A 93 -17.207 -41.326 13.276 1.00 0.00 N ATOM 1445 CA LYS A 93 -15.869 -40.765 13.421 1.00 0.00 C ATOM 1446 C LYS A 93 -14.835 -41.868 13.618 1.00 0.00 C ATOM 1447 O LYS A 93 -15.083 -42.847 14.322 1.00 0.00 O ATOM 1448 CB LYS A 93 -15.826 -39.794 14.604 1.00 0.00 C ATOM 1449 CG LYS A 93 -15.748 -40.484 15.954 1.00 0.00 C ATOM 1450 CD LYS A 93 -16.009 -39.513 17.093 1.00 0.00 C ATOM 1451 CE LYS A 93 -15.282 -39.932 18.362 1.00 0.00 C ATOM 1452 NZ LYS A 93 -14.458 -38.825 18.920 1.00 0.00 N ATOM 0 H LYS A 93 -17.536 -41.846 14.089 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.628 -40.224 12.506 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.965 -39.135 14.492 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -16.715 -39.164 14.578 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.476 -41.295 15.992 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.763 -40.934 16.077 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -15.687 -38.513 16.801 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.080 -39.458 17.287 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.009 -40.255 19.107 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -14.643 -40.789 18.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -13.979 -39.150 19.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -13.747 -38.534 18.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.071 -38.017 19.148 1.00 0.00 H new ATOM 1466 N VAL A 94 -13.674 -41.703 12.992 1.00 0.00 N ATOM 1467 CA VAL A 94 -12.601 -42.684 13.100 1.00 0.00 C ATOM 1468 C VAL A 94 -11.247 -42.002 13.268 1.00 0.00 C ATOM 1469 O VAL A 94 -10.817 -41.237 12.406 1.00 0.00 O ATOM 1470 CB VAL A 94 -12.551 -43.601 11.864 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -12.492 -42.775 10.588 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -11.365 -44.549 11.951 1.00 0.00 C ATOM 0 H VAL A 94 -13.453 -40.899 12.405 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.813 -43.288 13.982 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.462 -44.198 11.840 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.457 -43.440 9.725 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.377 -42.142 10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.599 -42.150 10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.346 -45.189 11.069 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.441 -43.972 12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.457 -45.166 12.845 1.00 0.00 H new ATOM 1482 N GLU A 95 -10.582 -42.286 14.383 1.00 0.00 N ATOM 1483 CA GLU A 95 -9.277 -41.699 14.663 1.00 0.00 C ATOM 1484 C GLU A 95 -8.155 -42.598 14.150 1.00 0.00 C ATOM 1485 O GLU A 95 -7.963 -43.711 14.641 1.00 0.00 O ATOM 1486 CB GLU A 95 -9.110 -41.465 16.166 1.00 0.00 C ATOM 1487 CG GLU A 95 -9.401 -42.694 17.010 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.342 -42.940 18.067 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -7.344 -43.625 17.760 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -8.511 -42.445 19.201 1.00 0.00 O ATOM 0 H GLU A 95 -10.925 -42.918 15.106 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.219 -40.742 14.145 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.090 -41.133 16.362 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.773 -40.657 16.475 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.371 -42.577 17.493 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.471 -43.567 16.361 1.00 0.00 H new ATOM 1497 N ILE A 96 -7.417 -42.106 13.160 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.314 -42.863 12.581 1.00 0.00 C ATOM 1499 C ILE A 96 -5.060 -42.004 12.463 1.00 0.00 C ATOM 1500 O ILE A 96 -5.088 -40.805 12.737 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.679 -43.414 11.190 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.362 -42.380 10.109 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -8.149 -43.804 11.143 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -7.048 -41.049 10.326 1.00 0.00 C ATOM 0 H ILE A 96 -7.563 -41.187 12.742 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.117 -43.698 13.253 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.081 -44.305 11.000 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.284 -42.222 10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.658 -42.778 9.139 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.391 -44.192 10.153 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.346 -44.572 11.891 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.764 -42.929 11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.778 -40.365 9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.128 -41.193 10.332 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.733 -40.629 11.281 1.00 0.00 H new ATOM 1516 N ALA A 97 -3.960 -42.626 12.050 1.00 0.00 N ATOM 1517 CA ALA A 97 -2.696 -41.918 11.891 1.00 0.00 C ATOM 1518 C ALA A 97 -2.626 -41.218 10.539 1.00 0.00 C ATOM 1519 O ALA A 97 -3.102 -41.742 9.531 1.00 0.00 O ATOM 1520 CB ALA A 97 -1.528 -42.881 12.051 1.00 0.00 C ATOM 0 H ALA A 97 -3.919 -43.619 11.820 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.634 -41.157 12.668 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.590 -42.339 11.930 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.561 -43.331 13.043 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.595 -43.663 11.295 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.029 -40.030 10.523 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.898 -39.257 9.293 1.00 0.00 C ATOM 1528 C PHE A 98 -0.442 -38.873 9.045 1.00 0.00 C ATOM 1529 O PHE A 98 0.343 -38.736 9.983 1.00 0.00 O ATOM 1530 CB PHE A 98 -2.765 -37.998 9.363 1.00 0.00 C ATOM 1531 CG PHE A 98 -3.879 -37.980 8.356 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -4.705 -39.081 8.198 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -4.098 -36.863 7.566 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -5.732 -39.067 7.272 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -5.123 -36.844 6.639 1.00 0.00 C ATOM 1536 CZ PHE A 98 -5.940 -37.948 6.491 1.00 0.00 C ATOM 0 H PHE A 98 -1.629 -39.582 11.347 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.238 -39.878 8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.189 -37.914 10.364 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -2.134 -37.123 9.210 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.545 -39.960 8.805 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.461 -35.998 7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.371 -39.931 7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.285 -35.966 6.031 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.740 -37.936 5.766 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.091 -38.703 7.775 1.00 0.00 N ATOM 1547 CA TYR A 99 1.271 -38.338 7.402 1.00 0.00 C ATOM 1548 C TYR A 99 1.431 -36.822 7.341 1.00 0.00 C ATOM 1549 O TYR A 99 0.550 -36.112 6.856 1.00 0.00 O ATOM 1550 CB TYR A 99 1.634 -38.955 6.051 1.00 0.00 C ATOM 1551 CG TYR A 99 2.780 -39.939 6.123 1.00 0.00 C ATOM 1552 CD1 TYR A 99 2.719 -41.046 6.960 1.00 0.00 C ATOM 1553 CD2 TYR A 99 3.924 -39.761 5.354 1.00 0.00 C ATOM 1554 CE1 TYR A 99 3.764 -41.947 7.030 1.00 0.00 C ATOM 1555 CE2 TYR A 99 4.973 -40.658 5.416 1.00 0.00 C ATOM 1556 CZ TYR A 99 4.888 -41.749 6.256 1.00 0.00 C ATOM 1557 OH TYR A 99 5.931 -42.644 6.322 1.00 0.00 O ATOM 0 H TYR A 99 -0.730 -38.812 6.987 1.00 0.00 H new ATOM 0 HA TYR A 99 1.946 -38.726 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.758 -39.460 5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.894 -38.158 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.840 -41.205 7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.994 -38.907 4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.701 -42.802 7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.854 -40.506 4.810 1.00 0.00 H new ATOM 0 HH TYR A 99 6.645 -42.360 5.714 1.00 0.00 H new ATOM 1567 N ARG A 100 2.563 -36.333 7.837 1.00 0.00 N ATOM 1568 CA ARG A 100 2.841 -34.902 7.841 1.00 0.00 C ATOM 1569 C ARG A 100 3.677 -34.507 6.627 1.00 0.00 C ATOM 1570 O ARG A 100 4.069 -35.356 5.827 1.00 0.00 O ATOM 1571 CB ARG A 100 3.569 -34.505 9.126 1.00 0.00 C ATOM 1572 CG ARG A 100 2.666 -34.455 10.348 1.00 0.00 C ATOM 1573 CD ARG A 100 3.166 -33.446 11.370 1.00 0.00 C ATOM 1574 NE ARG A 100 3.973 -34.076 12.411 1.00 0.00 N ATOM 1575 CZ ARG A 100 4.838 -33.415 13.171 1.00 0.00 C ATOM 1576 NH1 ARG A 100 5.007 -32.110 13.008 1.00 0.00 N ATOM 1577 NH2 ARG A 100 5.536 -34.058 14.098 1.00 0.00 N ATOM 0 H ARG A 100 3.303 -36.907 8.241 1.00 0.00 H new ATOM 0 HA ARG A 100 1.889 -34.373 7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.376 -35.214 9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.030 -33.527 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.653 -34.193 10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.616 -35.443 10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.757 -32.682 10.866 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.315 -32.941 11.827 1.00 0.00 H new ATOM 0 HE ARG A 100 3.866 -35.079 12.563 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.472 -31.611 12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.672 -31.605 13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.409 -35.062 14.228 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.200 -33.549 14.681 1.00 0.00 H new ATOM 1591 N LYS A 101 3.946 -33.212 6.496 1.00 0.00 N ATOM 1592 CA LYS A 101 4.736 -32.704 5.381 1.00 0.00 C ATOM 1593 C LYS A 101 6.186 -33.165 5.486 1.00 0.00 C ATOM 1594 O LYS A 101 6.852 -33.386 4.475 1.00 0.00 O ATOM 1595 CB LYS A 101 4.677 -31.175 5.344 1.00 0.00 C ATOM 1596 CG LYS A 101 3.310 -30.610 5.687 1.00 0.00 C ATOM 1597 CD LYS A 101 3.072 -29.273 5.005 1.00 0.00 C ATOM 1598 CE LYS A 101 3.176 -28.119 5.990 1.00 0.00 C ATOM 1599 NZ LYS A 101 4.586 -27.680 6.183 1.00 0.00 N ATOM 0 H LYS A 101 3.628 -32.495 7.149 1.00 0.00 H new ATOM 0 HA LYS A 101 4.314 -33.101 4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.412 -30.775 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.963 -30.833 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.537 -31.316 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.226 -30.489 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.800 -29.137 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.085 -29.270 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.580 -27.280 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.755 -28.421 6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.615 -26.892 6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.149 -28.473 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.980 -27.368 5.273 1.00 0.00 H new ATOM 1613 N ASP A 102 6.668 -33.310 6.716 1.00 0.00 N ATOM 1614 CA ASP A 102 8.039 -33.748 6.953 1.00 0.00 C ATOM 1615 C ASP A 102 8.118 -35.269 7.027 1.00 0.00 C ATOM 1616 O ASP A 102 9.162 -35.831 7.356 1.00 0.00 O ATOM 1617 CB ASP A 102 8.577 -33.133 8.246 1.00 0.00 C ATOM 1618 CG ASP A 102 9.977 -32.575 8.083 1.00 0.00 C ATOM 1619 OD1 ASP A 102 10.166 -31.685 7.228 1.00 0.00 O ATOM 1620 OD2 ASP A 102 10.884 -33.029 8.812 1.00 0.00 O ATOM 0 H ASP A 102 6.130 -33.131 7.564 1.00 0.00 H new ATOM 0 HA ASP A 102 8.652 -33.411 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.908 -32.337 8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.580 -33.889 9.031 1.00 0.00 H new ATOM 1625 N GLY A 103 7.006 -35.931 6.719 1.00 0.00 N ATOM 1626 CA GLY A 103 6.971 -37.381 6.758 1.00 0.00 C ATOM 1627 C GLY A 103 6.538 -37.914 8.110 1.00 0.00 C ATOM 1628 O GLY A 103 6.132 -39.070 8.227 1.00 0.00 O ATOM 0 H GLY A 103 6.129 -35.488 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.288 -37.746 5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.959 -37.772 6.516 1.00 0.00 H new ATOM 1632 N SER A 104 6.628 -37.071 9.133 1.00 0.00 N ATOM 1633 CA SER A 104 6.247 -37.465 10.484 1.00 0.00 C ATOM 1634 C SER A 104 4.845 -38.065 10.501 1.00 0.00 C ATOM 1635 O SER A 104 4.080 -37.911 9.547 1.00 0.00 O ATOM 1636 CB SER A 104 6.310 -36.262 11.427 1.00 0.00 C ATOM 1637 OG SER A 104 6.654 -35.081 10.723 1.00 0.00 O ATOM 0 H SER A 104 6.962 -36.110 9.052 1.00 0.00 H new ATOM 0 HA SER A 104 6.952 -38.223 10.826 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.346 -36.129 11.917 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.044 -36.449 12.211 1.00 0.00 H new ATOM 0 HG SER A 104 6.686 -34.326 11.347 1.00 0.00 H new ATOM 1643 N CYS A 105 4.514 -38.750 11.590 1.00 0.00 N ATOM 1644 CA CYS A 105 3.203 -39.375 11.731 1.00 0.00 C ATOM 1645 C CYS A 105 2.510 -38.902 13.005 1.00 0.00 C ATOM 1646 O CYS A 105 3.125 -38.831 14.069 1.00 0.00 O ATOM 1647 CB CYS A 105 3.341 -40.898 11.747 1.00 0.00 C ATOM 1648 SG CYS A 105 1.827 -41.781 11.301 1.00 0.00 S ATOM 0 H CYS A 105 5.135 -38.887 12.388 1.00 0.00 H new ATOM 0 HA CYS A 105 2.593 -39.081 10.877 1.00 0.00 H new ATOM 0 HB2 CYS A 105 4.134 -41.188 11.058 1.00 0.00 H new ATOM 0 HB3 CYS A 105 3.653 -41.213 12.743 1.00 0.00 H new ATOM 0 HG CYS A 105 2.044 -43.062 11.341 1.00 0.00 H new ATOM 1654 N PHE A 106 1.227 -38.578 12.888 1.00 0.00 N ATOM 1655 CA PHE A 106 0.450 -38.109 14.029 1.00 0.00 C ATOM 1656 C PHE A 106 -0.952 -38.711 14.018 1.00 0.00 C ATOM 1657 O PHE A 106 -1.342 -39.388 13.065 1.00 0.00 O ATOM 1658 CB PHE A 106 0.361 -36.581 14.019 1.00 0.00 C ATOM 1659 CG PHE A 106 -0.348 -36.030 12.816 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.213 -36.140 11.554 1.00 0.00 C ATOM 1661 CD2 PHE A 106 -1.576 -35.401 12.947 1.00 0.00 C ATOM 1662 CE1 PHE A 106 -0.438 -35.634 10.444 1.00 0.00 C ATOM 1663 CE2 PHE A 106 -2.231 -34.893 11.841 1.00 0.00 C ATOM 1664 CZ PHE A 106 -1.661 -35.009 10.588 1.00 0.00 C ATOM 0 H PHE A 106 0.703 -38.632 12.014 1.00 0.00 H new ATOM 0 HA PHE A 106 0.957 -38.431 14.938 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.156 -36.249 14.919 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.368 -36.166 14.059 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.170 -36.627 11.436 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.026 -35.307 13.924 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.009 -35.727 9.466 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.188 -34.406 11.956 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.171 -34.612 9.723 1.00 0.00 H new ATOM 1674 N LEU A 107 -1.706 -38.461 15.082 1.00 0.00 N ATOM 1675 CA LEU A 107 -3.065 -38.978 15.197 1.00 0.00 C ATOM 1676 C LEU A 107 -4.090 -37.887 14.904 1.00 0.00 C ATOM 1677 O LEU A 107 -3.954 -36.754 15.368 1.00 0.00 O ATOM 1678 CB LEU A 107 -3.298 -39.551 16.596 1.00 0.00 C ATOM 1679 CG LEU A 107 -3.653 -41.037 16.662 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -4.987 -41.298 15.980 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -2.554 -41.876 16.028 1.00 0.00 C ATOM 0 H LEU A 107 -1.399 -37.903 15.879 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.188 -39.773 14.461 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.398 -39.386 17.189 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.100 -38.985 17.070 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.742 -41.324 17.710 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.223 -42.361 16.037 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.769 -40.725 16.479 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.927 -40.995 14.935 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.823 -42.931 16.084 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.432 -41.587 14.984 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.618 -41.712 16.561 1.00 0.00 H new ATOM 1693 N CYS A 108 -5.115 -38.235 14.135 1.00 0.00 N ATOM 1694 CA CYS A 108 -6.164 -37.285 13.782 1.00 0.00 C ATOM 1695 C CYS A 108 -7.512 -37.986 13.657 1.00 0.00 C ATOM 1696 O CYS A 108 -7.586 -39.147 13.250 1.00 0.00 O ATOM 1697 CB CYS A 108 -5.819 -36.577 12.471 1.00 0.00 C ATOM 1698 SG CYS A 108 -5.969 -37.625 11.005 1.00 0.00 S ATOM 0 H CYS A 108 -5.242 -39.168 13.744 1.00 0.00 H new ATOM 0 HA CYS A 108 -6.233 -36.544 14.579 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.472 -35.712 12.355 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -4.798 -36.200 12.532 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.140 -37.215 10.092 1.00 0.00 H new ATOM 1704 N LEU A 109 -8.578 -37.276 14.009 1.00 0.00 N ATOM 1705 CA LEU A 109 -9.925 -37.830 13.938 1.00 0.00 C ATOM 1706 C LEU A 109 -10.557 -37.553 12.577 1.00 0.00 C ATOM 1707 O LEU A 109 -10.365 -36.484 11.998 1.00 0.00 O ATOM 1708 CB LEU A 109 -10.799 -37.242 15.047 1.00 0.00 C ATOM 1709 CG LEU A 109 -12.186 -37.865 15.210 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -13.131 -37.350 14.135 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -12.098 -39.383 15.163 1.00 0.00 C ATOM 0 H LEU A 109 -8.535 -36.314 14.347 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.854 -38.909 14.073 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.266 -37.339 15.993 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.922 -36.175 14.858 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.582 -37.575 16.183 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.113 -37.804 14.266 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -13.218 -36.266 14.216 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.740 -37.610 13.152 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.094 -39.809 15.281 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.681 -39.694 14.205 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.455 -39.735 15.970 1.00 0.00 H new ATOM 1723 N VAL A 110 -11.313 -38.523 12.073 1.00 0.00 N ATOM 1724 CA VAL A 110 -11.976 -38.382 10.782 1.00 0.00 C ATOM 1725 C VAL A 110 -13.482 -38.580 10.913 1.00 0.00 C ATOM 1726 O VAL A 110 -13.956 -39.699 11.109 1.00 0.00 O ATOM 1727 CB VAL A 110 -11.424 -39.389 9.755 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -11.908 -39.045 8.355 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -9.904 -39.426 9.808 1.00 0.00 C ATOM 0 H VAL A 110 -11.482 -39.415 12.539 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.775 -37.370 10.432 1.00 0.00 H new ATOM 0 HB VAL A 110 -11.798 -40.381 10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.508 -39.767 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.997 -39.075 8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.567 -38.045 8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.532 -40.143 9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.508 -38.436 9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.582 -39.726 10.805 1.00 0.00 H new ATOM 1739 N ASP A 111 -14.228 -37.487 10.802 1.00 0.00 N ATOM 1740 CA ASP A 111 -15.682 -37.540 10.906 1.00 0.00 C ATOM 1741 C ASP A 111 -16.327 -37.524 9.524 1.00 0.00 C ATOM 1742 O ASP A 111 -15.995 -36.689 8.682 1.00 0.00 O ATOM 1743 CB ASP A 111 -16.198 -36.365 11.738 1.00 0.00 C ATOM 1744 CG ASP A 111 -17.668 -36.501 12.084 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -18.006 -37.387 12.896 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -18.480 -35.723 11.541 1.00 0.00 O ATOM 0 H ASP A 111 -13.850 -36.553 10.640 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.953 -38.472 11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.617 -36.292 12.657 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.042 -35.437 11.187 1.00 0.00 H new ATOM 1751 N VAL A 112 -17.251 -38.452 9.296 1.00 0.00 N ATOM 1752 CA VAL A 112 -17.942 -38.544 8.016 1.00 0.00 C ATOM 1753 C VAL A 112 -19.445 -38.357 8.189 1.00 0.00 C ATOM 1754 O VAL A 112 -20.065 -38.979 9.052 1.00 0.00 O ATOM 1755 CB VAL A 112 -17.681 -39.900 7.334 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -18.231 -41.039 8.179 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -18.287 -39.919 5.939 1.00 0.00 C ATOM 0 H VAL A 112 -17.538 -39.151 9.981 1.00 0.00 H new ATOM 0 HA VAL A 112 -17.549 -37.746 7.386 1.00 0.00 H new ATOM 0 HB VAL A 112 -16.604 -40.038 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -18.037 -41.989 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -17.745 -41.036 9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -19.306 -40.910 8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -18.093 -40.884 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -19.363 -39.758 6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -17.840 -39.128 5.337 1.00 0.00 H new ATOM 1767 N VAL A 113 -20.027 -37.494 7.361 1.00 0.00 N ATOM 1768 CA VAL A 113 -21.459 -37.225 7.421 1.00 0.00 C ATOM 1769 C VAL A 113 -22.007 -36.858 6.047 1.00 0.00 C ATOM 1770 O VAL A 113 -21.408 -36.086 5.298 1.00 0.00 O ATOM 1771 CB VAL A 113 -21.775 -36.086 8.409 1.00 0.00 C ATOM 1772 CG1 VAL A 113 -23.272 -35.820 8.455 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -21.241 -36.419 9.794 1.00 0.00 C ATOM 0 H VAL A 113 -19.529 -36.970 6.642 1.00 0.00 H new ATOM 0 HA VAL A 113 -21.939 -38.140 7.768 1.00 0.00 H new ATOM 0 HB VAL A 113 -21.280 -35.179 8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -23.477 -35.013 9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -23.621 -35.535 7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -23.792 -36.722 8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -21.473 -35.604 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -21.706 -37.337 10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -20.161 -36.555 9.744 1.00 0.00 H new ATOM 1783 N PRO A 114 -23.174 -37.423 5.705 1.00 0.00 N ATOM 1784 CA PRO A 114 -23.830 -37.169 4.418 1.00 0.00 C ATOM 1785 C PRO A 114 -24.375 -35.749 4.316 1.00 0.00 C ATOM 1786 O PRO A 114 -24.654 -35.105 5.328 1.00 0.00 O ATOM 1787 CB PRO A 114 -24.975 -38.184 4.397 1.00 0.00 C ATOM 1788 CG PRO A 114 -25.263 -38.460 5.833 1.00 0.00 C ATOM 1789 CD PRO A 114 -23.944 -38.353 6.548 1.00 0.00 C ATOM 0 HA PRO A 114 -23.139 -37.269 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -25.851 -37.782 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -24.688 -39.093 3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -25.982 -37.744 6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -25.697 -39.452 5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -24.066 -37.970 7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -23.452 -39.322 6.631 1.00 0.00 H new ATOM 1797 N VAL A 115 -24.526 -35.264 3.087 1.00 0.00 N ATOM 1798 CA VAL A 115 -25.040 -33.920 2.853 1.00 0.00 C ATOM 1799 C VAL A 115 -26.421 -33.965 2.209 1.00 0.00 C ATOM 1800 O VAL A 115 -26.546 -34.081 0.989 1.00 0.00 O ATOM 1801 CB VAL A 115 -24.092 -33.106 1.954 1.00 0.00 C ATOM 1802 CG1 VAL A 115 -24.510 -31.643 1.923 1.00 0.00 C ATOM 1803 CG2 VAL A 115 -22.654 -33.248 2.430 1.00 0.00 C ATOM 0 H VAL A 115 -24.299 -35.782 2.238 1.00 0.00 H new ATOM 0 HA VAL A 115 -25.112 -33.434 3.826 1.00 0.00 H new ATOM 0 HB VAL A 115 -24.155 -33.499 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -23.828 -31.083 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -25.524 -31.563 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -24.477 -31.234 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -21.997 -32.666 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -22.572 -32.883 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -22.361 -34.297 2.395 1.00 0.00 H new ATOM 1813 N LYS A 116 -27.457 -33.870 3.035 1.00 0.00 N ATOM 1814 CA LYS A 116 -28.831 -33.898 2.547 1.00 0.00 C ATOM 1815 C LYS A 116 -29.323 -32.489 2.228 1.00 0.00 C ATOM 1816 O LYS A 116 -28.664 -31.503 2.554 1.00 0.00 O ATOM 1817 CB LYS A 116 -29.750 -34.547 3.584 1.00 0.00 C ATOM 1818 CG LYS A 116 -29.358 -35.972 3.936 1.00 0.00 C ATOM 1819 CD LYS A 116 -30.160 -36.495 5.116 1.00 0.00 C ATOM 1820 CE LYS A 116 -29.905 -37.977 5.350 1.00 0.00 C ATOM 1821 NZ LYS A 116 -28.542 -38.227 5.894 1.00 0.00 N ATOM 0 H LYS A 116 -27.371 -33.773 4.047 1.00 0.00 H new ATOM 0 HA LYS A 116 -28.853 -34.489 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -29.744 -33.943 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -30.772 -34.543 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -29.516 -36.618 3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -28.295 -36.010 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -29.898 -35.934 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -31.223 -36.331 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -30.650 -38.368 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -30.026 -38.519 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -28.466 -39.219 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -27.834 -38.035 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -28.373 -37.602 6.708 1.00 0.00 H new ATOM 1835 N ASN A 117 -30.485 -32.404 1.589 1.00 0.00 N ATOM 1836 CA ASN A 117 -31.066 -31.116 1.226 1.00 0.00 C ATOM 1837 C ASN A 117 -32.293 -30.813 2.080 1.00 0.00 C ATOM 1838 O ASN A 117 -32.603 -31.544 3.020 1.00 0.00 O ATOM 1839 CB ASN A 117 -31.446 -31.104 -0.256 1.00 0.00 C ATOM 1840 CG ASN A 117 -30.261 -30.803 -1.154 1.00 0.00 C ATOM 1841 OD1 ASN A 117 -29.159 -30.533 -0.676 1.00 0.00 O ATOM 1842 ND2 ASN A 117 -30.485 -30.846 -2.462 1.00 0.00 N ATOM 0 H ASN A 117 -31.043 -33.211 1.312 1.00 0.00 H new ATOM 0 HA ASN A 117 -30.319 -30.344 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -31.868 -32.071 -0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -32.224 -30.359 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -29.727 -30.651 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -31.415 -31.074 -2.813 1.00 0.00 H new ATOM 1849 N GLU A 118 -32.988 -29.731 1.745 1.00 0.00 N ATOM 1850 CA GLU A 118 -34.182 -29.331 2.481 1.00 0.00 C ATOM 1851 C GLU A 118 -35.222 -30.447 2.477 1.00 0.00 C ATOM 1852 O GLU A 118 -36.099 -30.497 3.340 1.00 0.00 O ATOM 1853 CB GLU A 118 -34.779 -28.059 1.876 1.00 0.00 C ATOM 1854 CG GLU A 118 -35.062 -26.973 2.900 1.00 0.00 C ATOM 1855 CD GLU A 118 -33.859 -26.086 3.157 1.00 0.00 C ATOM 1856 OE1 GLU A 118 -32.879 -26.575 3.757 1.00 0.00 O ATOM 1857 OE2 GLU A 118 -33.898 -24.904 2.758 1.00 0.00 O ATOM 0 H GLU A 118 -32.745 -29.115 0.969 1.00 0.00 H new ATOM 0 HA GLU A 118 -33.892 -29.132 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -34.093 -27.668 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -35.706 -28.312 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -35.894 -26.360 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -35.375 -27.435 3.836 1.00 0.00 H new ATOM 1864 N ASP A 119 -35.119 -31.341 1.499 1.00 0.00 N ATOM 1865 CA ASP A 119 -36.050 -32.457 1.382 1.00 0.00 C ATOM 1866 C ASP A 119 -35.459 -33.724 1.992 1.00 0.00 C ATOM 1867 O ASP A 119 -36.146 -34.735 2.134 1.00 0.00 O ATOM 1868 CB ASP A 119 -36.406 -32.700 -0.086 1.00 0.00 C ATOM 1869 CG ASP A 119 -37.864 -32.411 -0.384 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -38.729 -32.861 0.395 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -38.140 -31.734 -1.397 1.00 0.00 O ATOM 0 H ASP A 119 -34.400 -31.314 0.776 1.00 0.00 H new ATOM 0 HA ASP A 119 -36.957 -32.201 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -35.778 -32.072 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -36.184 -33.735 -0.344 1.00 0.00 H new ATOM 1876 N GLY A 120 -34.180 -33.662 2.350 1.00 0.00 N ATOM 1877 CA GLY A 120 -33.518 -34.811 2.939 1.00 0.00 C ATOM 1878 C GLY A 120 -32.855 -35.693 1.900 1.00 0.00 C ATOM 1879 O GLY A 120 -32.518 -36.844 2.177 1.00 0.00 O ATOM 0 H GLY A 120 -33.591 -32.836 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -32.768 -34.468 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -34.246 -35.398 3.499 1.00 0.00 H new ATOM 1883 N ALA A 121 -32.667 -35.153 0.700 1.00 0.00 N ATOM 1884 CA ALA A 121 -32.040 -35.899 -0.384 1.00 0.00 C ATOM 1885 C ALA A 121 -30.526 -35.717 -0.371 1.00 0.00 C ATOM 1886 O ALA A 121 -30.021 -34.614 -0.581 1.00 0.00 O ATOM 1887 CB ALA A 121 -32.614 -35.466 -1.724 1.00 0.00 C ATOM 0 H ALA A 121 -32.940 -34.201 0.454 1.00 0.00 H new ATOM 0 HA ALA A 121 -32.254 -36.957 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -32.136 -36.031 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -33.688 -35.654 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -32.430 -34.402 -1.872 1.00 0.00 H new ATOM 1893 N VAL A 122 -29.805 -36.806 -0.122 1.00 0.00 N ATOM 1894 CA VAL A 122 -28.348 -36.766 -0.082 1.00 0.00 C ATOM 1895 C VAL A 122 -27.761 -36.737 -1.488 1.00 0.00 C ATOM 1896 O VAL A 122 -27.988 -37.648 -2.286 1.00 0.00 O ATOM 1897 CB VAL A 122 -27.774 -37.976 0.678 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -28.261 -39.277 0.057 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -26.254 -37.921 0.696 1.00 0.00 C ATOM 0 H VAL A 122 -30.206 -37.727 0.055 1.00 0.00 H new ATOM 0 HA VAL A 122 -28.070 -35.852 0.443 1.00 0.00 H new ATOM 0 HB VAL A 122 -28.129 -37.938 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -27.845 -40.121 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -29.349 -39.316 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -27.938 -39.327 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -25.865 -38.784 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -25.877 -37.934 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -25.929 -37.006 1.191 1.00 0.00 H new ATOM 1909 N ILE A 123 -27.004 -35.687 -1.786 1.00 0.00 N ATOM 1910 CA ILE A 123 -26.382 -35.541 -3.097 1.00 0.00 C ATOM 1911 C ILE A 123 -24.867 -35.688 -3.005 1.00 0.00 C ATOM 1912 O ILE A 123 -24.217 -36.123 -3.955 1.00 0.00 O ATOM 1913 CB ILE A 123 -26.717 -34.178 -3.730 1.00 0.00 C ATOM 1914 CG1 ILE A 123 -26.495 -33.052 -2.718 1.00 0.00 C ATOM 1915 CG2 ILE A 123 -28.152 -34.168 -4.236 1.00 0.00 C ATOM 1916 CD1 ILE A 123 -27.719 -32.739 -1.885 1.00 0.00 C ATOM 0 H ILE A 123 -26.806 -34.925 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 123 -26.784 -36.334 -3.728 1.00 0.00 H new ATOM 0 HB ILE A 123 -26.052 -34.014 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -25.675 -33.327 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -26.187 -32.152 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -28.374 -33.198 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -28.279 -34.949 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -28.832 -34.350 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -27.489 -31.932 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -28.536 -32.433 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -28.015 -33.626 -1.326 1.00 0.00 H new ATOM 1928 N MET A 124 -24.311 -35.323 -1.855 1.00 0.00 N ATOM 1929 CA MET A 124 -22.871 -35.417 -1.638 1.00 0.00 C ATOM 1930 C MET A 124 -22.560 -35.724 -0.177 1.00 0.00 C ATOM 1931 O MET A 124 -23.457 -35.750 0.667 1.00 0.00 O ATOM 1932 CB MET A 124 -22.185 -34.114 -2.055 1.00 0.00 C ATOM 1933 CG MET A 124 -22.737 -32.885 -1.352 1.00 0.00 C ATOM 1934 SD MET A 124 -22.867 -31.458 -2.447 1.00 0.00 S ATOM 1935 CE MET A 124 -22.696 -30.115 -1.274 1.00 0.00 C ATOM 0 H MET A 124 -24.835 -34.959 -1.059 1.00 0.00 H new ATOM 0 HA MET A 124 -22.489 -36.233 -2.251 1.00 0.00 H new ATOM 0 HB2 MET A 124 -21.118 -34.192 -1.848 1.00 0.00 H new ATOM 0 HB3 MET A 124 -22.292 -33.985 -3.132 1.00 0.00 H new ATOM 0 HG2 MET A 124 -23.721 -33.116 -0.944 1.00 0.00 H new ATOM 0 HG3 MET A 124 -22.093 -32.634 -0.509 1.00 0.00 H new ATOM 0 HE1 MET A 124 -22.436 -29.199 -1.805 1.00 0.00 H new ATOM 0 HE2 MET A 124 -23.638 -29.973 -0.744 1.00 0.00 H new ATOM 0 HE3 MET A 124 -21.910 -30.355 -0.558 1.00 0.00 H new ATOM 1945 N PHE A 125 -21.285 -35.957 0.116 1.00 0.00 N ATOM 1946 CA PHE A 125 -20.857 -36.264 1.475 1.00 0.00 C ATOM 1947 C PHE A 125 -19.880 -35.210 1.989 1.00 0.00 C ATOM 1948 O PHE A 125 -19.166 -34.578 1.210 1.00 0.00 O ATOM 1949 CB PHE A 125 -20.205 -37.648 1.527 1.00 0.00 C ATOM 1950 CG PHE A 125 -20.993 -38.708 0.812 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -22.377 -38.662 0.786 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -20.348 -39.751 0.166 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -23.105 -39.637 0.128 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -21.070 -40.728 -0.493 1.00 0.00 C ATOM 1955 CZ PHE A 125 -22.450 -40.671 -0.511 1.00 0.00 C ATOM 0 H PHE A 125 -20.530 -35.939 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 125 -21.739 -36.261 2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -19.209 -37.589 1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -20.077 -37.942 2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -22.894 -37.856 1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -19.269 -39.801 0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -24.184 -39.590 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -20.556 -41.535 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 125 -23.016 -41.434 -1.024 1.00 0.00 H new ATOM 1965 N ILE A 126 -19.855 -35.027 3.305 1.00 0.00 N ATOM 1966 CA ILE A 126 -18.967 -34.050 3.922 1.00 0.00 C ATOM 1967 C ILE A 126 -18.178 -34.673 5.069 1.00 0.00 C ATOM 1968 O ILE A 126 -18.745 -35.334 5.941 1.00 0.00 O ATOM 1969 CB ILE A 126 -19.748 -32.834 4.453 1.00 0.00 C ATOM 1970 CG1 ILE A 126 -18.788 -31.804 5.051 1.00 0.00 C ATOM 1971 CG2 ILE A 126 -20.773 -33.274 5.488 1.00 0.00 C ATOM 1972 CD1 ILE A 126 -17.939 -31.098 4.017 1.00 0.00 C ATOM 0 H ILE A 126 -20.439 -35.542 3.964 1.00 0.00 H new ATOM 0 HA ILE A 126 -18.277 -33.717 3.147 1.00 0.00 H new ATOM 0 HB ILE A 126 -20.277 -32.369 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -19.363 -31.062 5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -18.135 -32.301 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -21.317 -32.403 5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -21.473 -33.974 5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -20.264 -33.760 6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -17.283 -30.382 4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -17.337 -31.830 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -18.585 -30.572 3.314 1.00 0.00 H new ATOM 1984 N LEU A 127 -16.867 -34.457 5.065 1.00 0.00 N ATOM 1985 CA LEU A 127 -15.999 -34.996 6.106 1.00 0.00 C ATOM 1986 C LEU A 127 -15.100 -33.907 6.683 1.00 0.00 C ATOM 1987 O LEU A 127 -14.758 -32.944 5.998 1.00 0.00 O ATOM 1988 CB LEU A 127 -15.145 -36.135 5.547 1.00 0.00 C ATOM 1989 CG LEU A 127 -15.910 -37.341 5.000 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -16.337 -37.094 3.562 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -15.060 -38.600 5.097 1.00 0.00 C ATOM 0 H LEU A 127 -16.382 -33.912 4.352 1.00 0.00 H new ATOM 0 HA LEU A 127 -16.630 -35.383 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -14.519 -35.735 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -14.476 -36.481 6.335 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.806 -37.484 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.880 -37.963 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -16.983 -36.217 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.455 -36.925 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -15.620 -39.448 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -14.146 -38.468 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -14.804 -38.787 6.140 1.00 0.00 H new ATOM 2003 N ASN A 128 -14.720 -34.068 7.946 1.00 0.00 N ATOM 2004 CA ASN A 128 -13.860 -33.099 8.615 1.00 0.00 C ATOM 2005 C ASN A 128 -12.817 -33.803 9.479 1.00 0.00 C ATOM 2006 O ASN A 128 -13.138 -34.722 10.232 1.00 0.00 O ATOM 2007 CB ASN A 128 -14.696 -32.151 9.476 1.00 0.00 C ATOM 2008 CG ASN A 128 -15.291 -31.012 8.671 1.00 0.00 C ATOM 2009 OD1 ASN A 128 -14.854 -29.866 8.779 1.00 0.00 O ATOM 2010 ND2 ASN A 128 -16.294 -31.322 7.858 1.00 0.00 N ATOM 0 H ASN A 128 -14.994 -34.860 8.527 1.00 0.00 H new ATOM 0 HA ASN A 128 -13.342 -32.521 7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -15.499 -32.712 9.955 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -14.073 -31.743 10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -16.734 -30.597 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -16.624 -32.285 7.800 1.00 0.00 H new ATOM 2017 N PHE A 129 -11.568 -33.363 9.365 1.00 0.00 N ATOM 2018 CA PHE A 129 -10.478 -33.951 10.136 1.00 0.00 C ATOM 2019 C PHE A 129 -10.072 -33.037 11.288 1.00 0.00 C ATOM 2020 O PHE A 129 -10.229 -31.818 11.211 1.00 0.00 O ATOM 2021 CB PHE A 129 -9.273 -34.217 9.232 1.00 0.00 C ATOM 2022 CG PHE A 129 -9.482 -35.353 8.272 1.00 0.00 C ATOM 2023 CD1 PHE A 129 -10.459 -35.278 7.292 1.00 0.00 C ATOM 2024 CD2 PHE A 129 -8.704 -36.497 8.351 1.00 0.00 C ATOM 2025 CE1 PHE A 129 -10.654 -36.322 6.407 1.00 0.00 C ATOM 2026 CE2 PHE A 129 -8.894 -37.543 7.468 1.00 0.00 C ATOM 2027 CZ PHE A 129 -9.871 -37.456 6.496 1.00 0.00 C ATOM 0 H PHE A 129 -11.286 -32.602 8.747 1.00 0.00 H new ATOM 0 HA PHE A 129 -10.828 -34.896 10.552 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -9.046 -33.312 8.668 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -8.404 -34.432 9.853 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -11.075 -34.394 7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -7.941 -36.572 9.111 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.418 -36.251 5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -8.279 -38.428 7.538 1.00 0.00 H new ATOM 0 HZ PHE A 129 -10.022 -38.273 5.807 1.00 0.00 H new ATOM 2037 N GLU A 130 -9.551 -33.635 12.355 1.00 0.00 N ATOM 2038 CA GLU A 130 -9.124 -32.874 13.523 1.00 0.00 C ATOM 2039 C GLU A 130 -8.003 -33.598 14.264 1.00 0.00 C ATOM 2040 O GLU A 130 -8.217 -34.658 14.853 1.00 0.00 O ATOM 2041 CB GLU A 130 -10.306 -32.641 14.467 1.00 0.00 C ATOM 2042 CG GLU A 130 -9.916 -31.982 15.779 1.00 0.00 C ATOM 2043 CD GLU A 130 -9.405 -30.566 15.593 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -10.241 -29.642 15.505 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -8.172 -30.382 15.534 1.00 0.00 O ATOM 0 H GLU A 130 -9.415 -34.643 12.434 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.747 -31.911 13.179 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -11.045 -32.018 13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -10.785 -33.597 14.679 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -10.779 -31.968 16.445 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.147 -32.580 16.267 1.00 0.00 H new ATOM 2052 N VAL A 131 -6.808 -33.019 14.228 1.00 0.00 N ATOM 2053 CA VAL A 131 -5.653 -33.607 14.896 1.00 0.00 C ATOM 2054 C VAL A 131 -5.925 -33.821 16.380 1.00 0.00 C ATOM 2055 O VAL A 131 -6.501 -32.960 17.047 1.00 0.00 O ATOM 2056 CB VAL A 131 -4.402 -32.723 14.737 1.00 0.00 C ATOM 2057 CG1 VAL A 131 -3.173 -33.431 15.286 1.00 0.00 C ATOM 2058 CG2 VAL A 131 -4.200 -32.343 13.278 1.00 0.00 C ATOM 0 H VAL A 131 -6.614 -32.143 13.743 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.471 -34.571 14.421 1.00 0.00 H new ATOM 0 HB VAL A 131 -4.551 -31.808 15.310 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -2.299 -32.790 15.165 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -3.320 -33.647 16.344 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -3.017 -34.363 14.743 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -3.312 -31.718 13.184 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -4.073 -33.246 12.681 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.070 -31.792 12.922 1.00 0.00 H new ATOM 2068 N VAL A 132 -5.508 -34.974 16.893 1.00 0.00 N ATOM 2069 CA VAL A 132 -5.706 -35.301 18.300 1.00 0.00 C ATOM 2070 C VAL A 132 -4.372 -35.525 19.005 1.00 0.00 C ATOM 2071 O VAL A 132 -4.249 -35.299 20.208 1.00 0.00 O ATOM 2072 CB VAL A 132 -6.580 -36.558 18.467 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -6.839 -36.837 19.940 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -7.888 -36.401 17.707 1.00 0.00 C ATOM 0 H VAL A 132 -5.031 -35.697 16.355 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.216 -34.451 18.754 1.00 0.00 H new ATOM 0 HB VAL A 132 -6.044 -37.411 18.050 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -7.458 -37.729 20.038 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -5.890 -36.996 20.453 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -7.354 -35.987 20.386 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -8.494 -37.298 17.836 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.431 -35.538 18.092 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -7.678 -36.254 16.648 1.00 0.00 H new ATOM 2084 N MET A 133 -3.376 -35.970 18.246 1.00 0.00 N ATOM 2085 CA MET A 133 -2.050 -36.223 18.798 1.00 0.00 C ATOM 2086 C MET A 133 -0.963 -35.838 17.800 1.00 0.00 C ATOM 2087 O MET A 133 -0.388 -36.697 17.132 1.00 0.00 O ATOM 2088 CB MET A 133 -1.907 -37.697 19.181 1.00 0.00 C ATOM 2089 CG MET A 133 -1.901 -37.937 20.682 1.00 0.00 C ATOM 2090 SD MET A 133 -3.361 -38.831 21.248 1.00 0.00 S ATOM 2091 CE MET A 133 -3.097 -38.823 23.020 1.00 0.00 C ATOM 0 H MET A 133 -3.462 -36.163 17.248 1.00 0.00 H new ATOM 0 HA MET A 133 -1.932 -35.609 19.691 1.00 0.00 H new ATOM 0 HB2 MET A 133 -2.726 -38.261 18.734 1.00 0.00 H new ATOM 0 HB3 MET A 133 -0.982 -38.086 18.755 1.00 0.00 H new ATOM 0 HG2 MET A 133 -1.008 -38.500 20.953 1.00 0.00 H new ATOM 0 HG3 MET A 133 -1.843 -36.979 21.199 1.00 0.00 H new ATOM 0 HE1 MET A 133 -3.920 -39.341 23.513 1.00 0.00 H new ATOM 0 HE2 MET A 133 -2.160 -39.329 23.250 1.00 0.00 H new ATOM 0 HE3 MET A 133 -3.051 -37.794 23.376 1.00 0.00 H new ATOM 2101 N GLU A 134 -0.687 -34.541 17.704 1.00 0.00 N ATOM 2102 CA GLU A 134 0.331 -34.043 16.786 1.00 0.00 C ATOM 2103 C GLU A 134 1.731 -34.358 17.303 1.00 0.00 C ATOM 2104 O GLU A 134 2.344 -33.550 18.001 1.00 0.00 O ATOM 2105 CB GLU A 134 0.176 -32.534 16.587 1.00 0.00 C ATOM 2106 CG GLU A 134 0.752 -32.030 15.275 1.00 0.00 C ATOM 2107 CD GLU A 134 0.546 -30.540 15.081 1.00 0.00 C ATOM 2108 OE1 GLU A 134 -0.045 -29.901 15.976 1.00 0.00 O ATOM 2109 OE2 GLU A 134 0.977 -30.014 14.033 1.00 0.00 O ATOM 0 H GLU A 134 -1.154 -33.817 18.250 1.00 0.00 H new ATOM 0 HA GLU A 134 0.195 -34.544 15.828 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -0.882 -32.277 16.632 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.665 -32.015 17.412 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.818 -32.253 15.241 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.288 -32.568 14.448 1.00 0.00 H new ATOM 2116 N LYS A 135 2.232 -35.539 16.957 1.00 0.00 N ATOM 2117 CA LYS A 135 3.560 -35.963 17.384 1.00 0.00 C ATOM 2118 C LYS A 135 4.640 -35.094 16.747 1.00 0.00 C ATOM 2119 O LYS A 135 5.733 -35.571 16.441 1.00 0.00 O ATOM 2120 CB LYS A 135 3.791 -37.431 17.020 1.00 0.00 C ATOM 2121 CG LYS A 135 2.997 -38.402 17.878 1.00 0.00 C ATOM 2122 CD LYS A 135 2.660 -39.672 17.115 1.00 0.00 C ATOM 2123 CE LYS A 135 1.856 -40.639 17.971 1.00 0.00 C ATOM 2124 NZ LYS A 135 2.725 -41.657 18.623 1.00 0.00 N ATOM 0 H LYS A 135 1.737 -36.220 16.381 1.00 0.00 H new ATOM 0 HA LYS A 135 3.619 -35.850 18.466 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.526 -37.583 15.974 1.00 0.00 H new ATOM 0 HB3 LYS A 135 4.853 -37.658 17.117 1.00 0.00 H new ATOM 0 HG2 LYS A 135 3.570 -38.654 18.770 1.00 0.00 H new ATOM 0 HG3 LYS A 135 2.077 -37.924 18.215 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.093 -39.420 16.219 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.580 -40.155 16.785 1.00 0.00 H new ATOM 0 HE2 LYS A 135 1.313 -40.083 18.735 1.00 0.00 H new ATOM 0 HE3 LYS A 135 1.112 -41.140 17.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 2.140 -42.297 19.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 3.224 -42.205 17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 3.419 -41.181 19.234 1.00 0.00 H new