USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot 40:sc= -0.0908 USER MOD Set 1.2: A 64 MET CE :methyl -125:sc= -0.479 (180deg=-4.82!) USER MOD Single : A 26 THR OG1 : rot 72:sc= 0.13 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.4!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 157:sc= 0 (180deg=-0.263) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -11:sc= 0.162 USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -0.0208 (180deg=-0.199) USER MOD Single : A 72 THR OG1 : rot 97:sc= 1.08 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0.141 (180deg=0.118) USER MOD Single : A 78 HIS : no HE2:sc= -0.151 K(o=-0.15,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -105:sc= 0.571 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -6.559 -0.091 4.441 1.00 0.00 N ATOM 359 CA VAL A 25 -5.116 -0.008 4.643 1.00 0.00 C ATOM 360 C VAL A 25 -4.747 -0.256 6.103 1.00 0.00 C ATOM 361 O VAL A 25 -5.475 0.139 7.014 1.00 0.00 O ATOM 362 CB VAL A 25 -4.564 1.363 4.207 1.00 0.00 C ATOM 363 CG1 VAL A 25 -3.043 1.345 4.183 1.00 0.00 C ATOM 364 CG2 VAL A 25 -5.122 1.755 2.848 1.00 0.00 C ATOM 0 HA VAL A 25 -4.666 -0.784 4.024 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.883 2.110 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.672 2.322 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.666 1.114 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.699 0.586 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.721 2.726 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.836 1.007 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.209 1.813 2.904 1.00 0.00 H new ATOM 374 N THR A 26 -3.606 -0.905 6.314 1.00 0.00 N ATOM 375 CA THR A 26 -3.135 -1.213 7.661 1.00 0.00 C ATOM 376 C THR A 26 -2.074 -0.212 8.113 1.00 0.00 C ATOM 377 O THR A 26 -2.324 0.610 8.995 1.00 0.00 O ATOM 378 CB THR A 26 -2.567 -2.633 7.709 1.00 0.00 C ATOM 379 OG1 THR A 26 -3.056 -3.404 6.625 1.00 0.00 O ATOM 380 CG2 THR A 26 -2.904 -3.371 8.987 1.00 0.00 C ATOM 0 H THR A 26 -2.989 -1.228 5.569 1.00 0.00 H new ATOM 0 HA THR A 26 -3.984 -1.143 8.341 1.00 0.00 H new ATOM 0 HB THR A 26 -1.485 -2.514 7.654 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.643 -3.095 5.792 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.471 -4.371 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.498 -2.827 9.839 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.987 -3.448 9.088 1.00 0.00 H new ATOM 388 N LYS A 27 -0.890 -0.285 7.508 1.00 0.00 N ATOM 389 CA LYS A 27 0.202 0.618 7.862 1.00 0.00 C ATOM 390 C LYS A 27 0.622 1.471 6.669 1.00 0.00 C ATOM 391 O LYS A 27 0.286 1.166 5.526 1.00 0.00 O ATOM 392 CB LYS A 27 1.402 -0.179 8.382 1.00 0.00 C ATOM 393 CG LYS A 27 2.015 0.402 9.646 1.00 0.00 C ATOM 394 CD LYS A 27 3.420 0.926 9.395 1.00 0.00 C ATOM 395 CE LYS A 27 4.464 0.102 10.131 1.00 0.00 C ATOM 396 NZ LYS A 27 4.785 0.676 11.467 1.00 0.00 N ATOM 0 H LYS A 27 -0.663 -0.956 6.774 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.155 1.283 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.089 -1.205 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.165 -0.221 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.385 1.210 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.044 -0.363 10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.630 0.909 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.484 1.966 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.101 -0.919 10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.373 0.048 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.501 0.085 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.155 1.641 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.924 0.704 12.049 1.00 0.00 H new ATOM 410 N THR A 28 1.340 2.554 6.948 1.00 0.00 N ATOM 411 CA THR A 28 1.812 3.455 5.902 1.00 0.00 C ATOM 412 C THR A 28 3.268 3.843 6.136 1.00 0.00 C ATOM 413 O THR A 28 3.634 4.282 7.227 1.00 0.00 O ATOM 414 CB THR A 28 0.940 4.712 5.850 1.00 0.00 C ATOM 415 OG1 THR A 28 -0.410 4.373 5.585 1.00 0.00 O ATOM 416 CG2 THR A 28 1.381 5.705 4.796 1.00 0.00 C ATOM 0 H THR A 28 1.609 2.830 7.893 1.00 0.00 H new ATOM 0 HA THR A 28 1.742 2.933 4.948 1.00 0.00 H new ATOM 0 HB THR A 28 1.046 5.178 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.953 5.189 5.557 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.720 6.572 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.403 6.024 5.001 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.338 5.236 3.813 1.00 0.00 H new ATOM 424 N LEU A 29 4.093 3.689 5.106 1.00 0.00 N ATOM 425 CA LEU A 29 5.504 4.028 5.202 1.00 0.00 C ATOM 426 C LEU A 29 5.833 5.245 4.345 1.00 0.00 C ATOM 427 O LEU A 29 5.678 5.216 3.123 1.00 0.00 O ATOM 428 CB LEU A 29 6.361 2.839 4.770 1.00 0.00 C ATOM 429 CG LEU A 29 7.840 2.948 5.139 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.382 1.596 5.579 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.642 3.494 3.968 1.00 0.00 C ATOM 0 H LEU A 29 3.806 3.331 4.195 1.00 0.00 H new ATOM 0 HA LEU A 29 5.725 4.271 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.954 1.933 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.278 2.723 3.689 1.00 0.00 H new ATOM 0 HG LEU A 29 7.937 3.642 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.436 1.693 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.826 1.247 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.273 0.878 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.693 3.565 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.539 2.826 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.270 4.483 3.702 1.00 0.00 H new ATOM 443 N ASP A 30 6.290 6.313 4.992 1.00 0.00 N ATOM 444 CA ASP A 30 6.645 7.540 4.290 1.00 0.00 C ATOM 445 C ASP A 30 8.094 7.926 4.567 1.00 0.00 C ATOM 446 O ASP A 30 8.441 8.312 5.683 1.00 0.00 O ATOM 447 CB ASP A 30 5.712 8.680 4.704 1.00 0.00 C ATOM 448 CG ASP A 30 5.193 8.518 6.119 1.00 0.00 C ATOM 449 OD1 ASP A 30 6.021 8.372 7.043 1.00 0.00 O ATOM 450 OD2 ASP A 30 3.958 8.538 6.304 1.00 0.00 O ATOM 0 H ASP A 30 6.423 6.353 6.003 1.00 0.00 H new ATOM 0 HA ASP A 30 6.534 7.361 3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.243 9.628 4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.869 8.725 4.014 1.00 0.00 H new ATOM 455 N VAL A 31 8.936 7.819 3.543 1.00 0.00 N ATOM 456 CA VAL A 31 10.349 8.155 3.674 1.00 0.00 C ATOM 457 C VAL A 31 10.841 8.941 2.455 1.00 0.00 C ATOM 458 O VAL A 31 11.605 8.435 1.630 1.00 0.00 O ATOM 459 CB VAL A 31 11.209 6.890 3.883 1.00 0.00 C ATOM 460 CG1 VAL A 31 11.036 5.911 2.730 1.00 0.00 C ATOM 461 CG2 VAL A 31 12.669 7.264 4.074 1.00 0.00 C ATOM 0 H VAL A 31 8.663 7.502 2.613 1.00 0.00 H new ATOM 0 HA VAL A 31 10.456 8.786 4.556 1.00 0.00 H new ATOM 0 HB VAL A 31 10.866 6.391 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.654 5.030 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.990 5.613 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.340 6.388 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.260 6.360 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.027 7.793 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.768 7.907 4.948 1.00 0.00 H new ATOM 471 N ARG A 32 10.390 10.187 2.346 1.00 0.00 N ATOM 472 CA ARG A 32 10.779 11.047 1.235 1.00 0.00 C ATOM 473 C ARG A 32 12.251 11.435 1.338 1.00 0.00 C ATOM 474 O ARG A 32 13.126 10.720 0.849 1.00 0.00 O ATOM 475 CB ARG A 32 9.903 12.303 1.204 1.00 0.00 C ATOM 476 CG ARG A 32 9.286 12.580 -0.158 1.00 0.00 C ATOM 477 CD ARG A 32 8.475 13.865 -0.151 1.00 0.00 C ATOM 478 NE ARG A 32 9.227 14.985 0.410 1.00 0.00 N ATOM 479 CZ ARG A 32 8.788 15.741 1.411 1.00 0.00 C ATOM 480 NH1 ARG A 32 7.605 15.502 1.962 1.00 0.00 N ATOM 481 NH2 ARG A 32 9.533 16.741 1.864 1.00 0.00 N ATOM 0 H ARG A 32 9.755 10.623 3.014 1.00 0.00 H new ATOM 0 HA ARG A 32 10.635 10.492 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.106 12.199 1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.503 13.162 1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.074 12.650 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.646 11.746 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.171 14.107 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.563 13.715 0.427 1.00 0.00 H new ATOM 0 HE ARG A 32 10.141 15.199 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.028 14.735 1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.273 16.085 2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.443 16.930 1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.196 17.321 2.632 1.00 0.00 H new ATOM 631 N THR A 43 13.321 -0.492 5.553 1.00 0.00 N ATOM 632 CA THR A 43 12.379 -0.901 4.519 1.00 0.00 C ATOM 633 C THR A 43 12.765 -2.260 3.946 1.00 0.00 C ATOM 634 O THR A 43 11.904 -3.044 3.543 1.00 0.00 O ATOM 635 CB THR A 43 12.325 0.144 3.401 1.00 0.00 C ATOM 636 OG1 THR A 43 11.289 -0.159 2.485 1.00 0.00 O ATOM 637 CG2 THR A 43 13.615 0.255 2.618 1.00 0.00 C ATOM 0 HA THR A 43 11.391 -0.983 4.972 1.00 0.00 H new ATOM 0 HB THR A 43 12.145 1.095 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.503 -0.479 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.506 1.013 1.843 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.425 0.537 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.844 -0.705 2.156 1.00 0.00 H new ATOM 645 N LYS A 44 14.066 -2.534 3.921 1.00 0.00 N ATOM 646 CA LYS A 44 14.573 -3.803 3.413 1.00 0.00 C ATOM 647 C LYS A 44 13.917 -4.969 4.140 1.00 0.00 C ATOM 648 O LYS A 44 13.477 -5.935 3.517 1.00 0.00 O ATOM 649 CB LYS A 44 16.094 -3.870 3.573 1.00 0.00 C ATOM 650 CG LYS A 44 16.690 -5.220 3.207 1.00 0.00 C ATOM 651 CD LYS A 44 16.704 -5.436 1.702 1.00 0.00 C ATOM 652 CE LYS A 44 18.042 -5.984 1.231 1.00 0.00 C ATOM 653 NZ LYS A 44 17.874 -7.049 0.204 1.00 0.00 N ATOM 0 H LYS A 44 14.789 -1.893 4.247 1.00 0.00 H new ATOM 0 HA LYS A 44 14.328 -3.872 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.550 -3.101 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.352 -3.637 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.707 -5.287 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.115 -6.014 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.908 -6.128 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.497 -4.493 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.642 -5.173 0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.591 -6.385 2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.809 -7.397 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.323 -7.835 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.373 -6.660 -0.620 1.00 0.00 H new ATOM 667 N ARG A 45 13.840 -4.863 5.463 1.00 0.00 N ATOM 668 CA ARG A 45 13.223 -5.899 6.276 1.00 0.00 C ATOM 669 C ARG A 45 11.731 -6.004 5.987 1.00 0.00 C ATOM 670 O ARG A 45 11.160 -7.089 6.033 1.00 0.00 O ATOM 671 CB ARG A 45 13.451 -5.620 7.754 1.00 0.00 C ATOM 672 CG ARG A 45 13.056 -6.788 8.637 1.00 0.00 C ATOM 673 CD ARG A 45 14.222 -7.731 8.875 1.00 0.00 C ATOM 674 NE ARG A 45 14.672 -7.703 10.264 1.00 0.00 N ATOM 675 CZ ARG A 45 15.752 -7.048 10.677 1.00 0.00 C ATOM 676 NH1 ARG A 45 16.493 -6.365 9.813 1.00 0.00 N ATOM 677 NH2 ARG A 45 16.093 -7.072 11.959 1.00 0.00 N ATOM 0 H ARG A 45 14.198 -4.068 5.993 1.00 0.00 H new ATOM 0 HA ARG A 45 13.689 -6.850 6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.503 -5.386 7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.879 -4.739 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.689 -6.414 9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.235 -7.334 8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.927 -8.746 8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.049 -7.458 8.220 1.00 0.00 H new ATOM 0 HE ARG A 45 14.126 -8.215 10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.234 -6.341 8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.321 -5.864 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.526 -7.593 12.628 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.922 -6.569 12.276 1.00 0.00 H new ATOM 691 N ALA A 46 11.107 -4.870 5.680 1.00 0.00 N ATOM 692 CA ALA A 46 9.681 -4.847 5.367 1.00 0.00 C ATOM 693 C ALA A 46 9.367 -5.782 4.205 1.00 0.00 C ATOM 694 O ALA A 46 8.278 -6.352 4.126 1.00 0.00 O ATOM 695 CB ALA A 46 9.233 -3.431 5.041 1.00 0.00 C ATOM 0 H ALA A 46 11.564 -3.959 5.641 1.00 0.00 H new ATOM 0 HA ALA A 46 9.134 -5.194 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.168 -3.431 4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.419 -2.784 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.791 -3.062 4.181 1.00 0.00 H new ATOM 701 N LEU A 47 10.333 -5.936 3.305 1.00 0.00 N ATOM 702 CA LEU A 47 10.171 -6.798 2.139 1.00 0.00 C ATOM 703 C LEU A 47 10.325 -8.270 2.512 1.00 0.00 C ATOM 704 O LEU A 47 9.432 -9.080 2.265 1.00 0.00 O ATOM 705 CB LEU A 47 11.194 -6.428 1.060 1.00 0.00 C ATOM 706 CG LEU A 47 11.645 -4.970 1.055 1.00 0.00 C ATOM 707 CD1 LEU A 47 12.671 -4.731 -0.041 1.00 0.00 C ATOM 708 CD2 LEU A 47 10.457 -4.033 0.890 1.00 0.00 C ATOM 0 H LEU A 47 11.240 -5.473 3.361 1.00 0.00 H new ATOM 0 HA LEU A 47 9.164 -6.647 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.072 -7.061 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.768 -6.662 0.084 1.00 0.00 H new ATOM 0 HG LEU A 47 12.112 -4.758 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.980 -3.686 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.539 -5.368 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.230 -4.967 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.805 -3.000 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.954 -4.246 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.760 -4.180 1.715 1.00 0.00 H new ATOM 720 N GLN A 48 11.472 -8.611 3.092 1.00 0.00 N ATOM 721 CA GLN A 48 11.765 -9.992 3.467 1.00 0.00 C ATOM 722 C GLN A 48 10.959 -10.429 4.687 1.00 0.00 C ATOM 723 O GLN A 48 10.943 -11.609 5.038 1.00 0.00 O ATOM 724 CB GLN A 48 13.259 -10.154 3.750 1.00 0.00 C ATOM 725 CG GLN A 48 13.966 -11.073 2.767 1.00 0.00 C ATOM 726 CD GLN A 48 15.047 -11.910 3.423 1.00 0.00 C ATOM 727 OE1 GLN A 48 15.047 -12.102 4.639 1.00 0.00 O ATOM 728 NE2 GLN A 48 15.974 -12.413 2.618 1.00 0.00 N ATOM 0 H GLN A 48 12.216 -7.949 3.313 1.00 0.00 H new ATOM 0 HA GLN A 48 11.479 -10.629 2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.734 -9.173 3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.389 -10.545 4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.234 -11.733 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.408 -10.475 1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.934 -12.228 1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.726 -12.985 3.001 1.00 0.00 H new ATOM 737 N ASN A 49 10.299 -9.477 5.337 1.00 0.00 N ATOM 738 CA ASN A 49 9.499 -9.777 6.521 1.00 0.00 C ATOM 739 C ASN A 49 8.110 -9.152 6.417 1.00 0.00 C ATOM 740 O ASN A 49 7.772 -8.236 7.167 1.00 0.00 O ATOM 741 CB ASN A 49 10.206 -9.281 7.785 1.00 0.00 C ATOM 742 CG ASN A 49 9.825 -10.085 9.013 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.924 -9.708 9.761 1.00 0.00 O ATOM 744 ND2 ASN A 49 10.513 -11.201 9.226 1.00 0.00 N ATOM 0 H ASN A 49 10.301 -8.494 5.066 1.00 0.00 H new ATOM 0 HA ASN A 49 9.384 -10.859 6.583 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.285 -9.334 7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.958 -8.232 7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.302 -11.783 10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.252 -11.476 8.579 1.00 0.00 H new ATOM 751 N MET A 50 7.311 -9.657 5.483 1.00 0.00 N ATOM 752 CA MET A 50 5.955 -9.157 5.280 1.00 0.00 C ATOM 753 C MET A 50 4.923 -10.180 5.747 1.00 0.00 C ATOM 754 O MET A 50 5.131 -11.387 5.620 1.00 0.00 O ATOM 755 CB MET A 50 5.731 -8.811 3.804 1.00 0.00 C ATOM 756 CG MET A 50 5.575 -10.024 2.899 1.00 0.00 C ATOM 757 SD MET A 50 7.094 -10.985 2.746 1.00 0.00 S ATOM 758 CE MET A 50 6.455 -12.652 2.882 1.00 0.00 C ATOM 0 H MET A 50 7.579 -10.413 4.853 1.00 0.00 H new ATOM 0 HA MET A 50 5.832 -8.252 5.875 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.839 -8.190 3.719 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.571 -8.213 3.451 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.784 -10.664 3.290 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.258 -9.695 1.909 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.152 -13.348 2.416 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.333 -12.910 3.934 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.490 -12.714 2.379 1.00 0.00 H new ATOM 768 N LYS A 51 3.814 -9.692 6.296 1.00 0.00 N ATOM 769 CA LYS A 51 2.758 -10.569 6.792 1.00 0.00 C ATOM 770 C LYS A 51 1.862 -11.048 5.651 1.00 0.00 C ATOM 771 O LYS A 51 1.817 -10.430 4.590 1.00 0.00 O ATOM 772 CB LYS A 51 1.921 -9.849 7.852 1.00 0.00 C ATOM 773 CG LYS A 51 2.752 -9.156 8.920 1.00 0.00 C ATOM 774 CD LYS A 51 1.998 -9.067 10.237 1.00 0.00 C ATOM 775 CE LYS A 51 2.368 -7.810 11.008 1.00 0.00 C ATOM 776 NZ LYS A 51 1.173 -7.152 11.605 1.00 0.00 N ATOM 0 H LYS A 51 3.624 -8.696 6.408 1.00 0.00 H new ATOM 0 HA LYS A 51 3.230 -11.441 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.287 -9.110 7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.259 -10.570 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.684 -9.701 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.019 -8.154 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.925 -9.074 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.219 -9.945 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.075 -8.064 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.872 -7.111 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.468 -6.299 12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.509 -6.887 10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.706 -7.810 12.261 1.00 0.00 H new ATOM 790 N PRO A 52 1.136 -12.167 5.860 1.00 0.00 N ATOM 791 CA PRO A 52 0.264 -12.754 4.838 1.00 0.00 C ATOM 792 C PRO A 52 -0.620 -11.736 4.121 1.00 0.00 C ATOM 793 O PRO A 52 -0.388 -11.422 2.956 1.00 0.00 O ATOM 794 CB PRO A 52 -0.592 -13.733 5.639 1.00 0.00 C ATOM 795 CG PRO A 52 0.294 -14.169 6.753 1.00 0.00 C ATOM 796 CD PRO A 52 1.149 -12.977 7.097 1.00 0.00 C ATOM 0 HA PRO A 52 0.845 -13.209 4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.497 -13.255 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.908 -14.578 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.292 -14.490 7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.910 -15.017 6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.742 -12.423 7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.161 -13.276 7.369 1.00 0.00 H new ATOM 804 N GLY A 53 -1.672 -11.276 4.797 1.00 0.00 N ATOM 805 CA GLY A 53 -2.602 -10.340 4.187 1.00 0.00 C ATOM 806 C GLY A 53 -2.418 -8.918 4.671 1.00 0.00 C ATOM 807 O GLY A 53 -3.331 -8.329 5.251 1.00 0.00 O ATOM 0 H GLY A 53 -1.896 -11.536 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.478 -10.368 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.622 -10.660 4.399 1.00 0.00 H new ATOM 811 N GLU A 54 -1.236 -8.366 4.437 1.00 0.00 N ATOM 812 CA GLU A 54 -0.941 -6.994 4.854 1.00 0.00 C ATOM 813 C GLU A 54 -1.276 -5.987 3.759 1.00 0.00 C ATOM 814 O GLU A 54 -1.238 -6.305 2.571 1.00 0.00 O ATOM 815 CB GLU A 54 0.528 -6.846 5.250 1.00 0.00 C ATOM 816 CG GLU A 54 0.754 -6.893 6.751 1.00 0.00 C ATOM 817 CD GLU A 54 0.157 -5.698 7.470 1.00 0.00 C ATOM 818 OE1 GLU A 54 -1.045 -5.747 7.803 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.892 -4.714 7.698 1.00 0.00 O ATOM 0 H GLU A 54 -0.467 -8.840 3.964 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.569 -6.785 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.106 -7.640 4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.908 -5.901 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.318 -7.808 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.824 -6.935 6.952 1.00 0.00 H new ATOM 826 N ILE A 55 -1.594 -4.765 4.178 1.00 0.00 N ATOM 827 CA ILE A 55 -1.902 -3.681 3.252 1.00 0.00 C ATOM 828 C ILE A 55 -1.191 -2.404 3.688 1.00 0.00 C ATOM 829 O ILE A 55 -1.498 -1.847 4.741 1.00 0.00 O ATOM 830 CB ILE A 55 -3.417 -3.414 3.171 1.00 0.00 C ATOM 831 CG1 ILE A 55 -4.183 -4.728 3.000 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.728 -2.465 2.025 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.706 -5.300 4.301 1.00 0.00 C ATOM 0 H ILE A 55 -1.645 -4.500 5.162 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.554 -3.985 2.265 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.736 -2.947 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.021 -4.565 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.529 -5.461 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.802 -2.287 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.209 -1.520 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.395 -2.907 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.238 -6.230 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.871 -5.496 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.386 -4.586 4.765 1.00 0.00 H new ATOM 845 N LEU A 56 -0.223 -1.954 2.895 1.00 0.00 N ATOM 846 CA LEU A 56 0.546 -0.766 3.248 1.00 0.00 C ATOM 847 C LEU A 56 0.543 0.277 2.138 1.00 0.00 C ATOM 848 O LEU A 56 0.460 -0.051 0.954 1.00 0.00 O ATOM 849 CB LEU A 56 1.991 -1.151 3.570 1.00 0.00 C ATOM 850 CG LEU A 56 2.333 -1.193 5.059 1.00 0.00 C ATOM 851 CD1 LEU A 56 1.630 -2.361 5.728 1.00 0.00 C ATOM 852 CD2 LEU A 56 3.838 -1.285 5.256 1.00 0.00 C ATOM 0 H LEU A 56 0.045 -2.389 2.012 1.00 0.00 H new ATOM 0 HA LEU A 56 0.068 -0.327 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.195 -2.131 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.658 -0.442 3.080 1.00 0.00 H new ATOM 0 HG LEU A 56 1.985 -0.271 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.883 -2.379 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.552 -2.251 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.950 -3.293 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.064 -1.314 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.212 -2.192 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.318 -0.415 4.807 1.00 0.00 H new ATOM 864 N GLU A 57 0.678 1.536 2.541 1.00 0.00 N ATOM 865 CA GLU A 57 0.764 2.648 1.603 1.00 0.00 C ATOM 866 C GLU A 57 2.154 3.267 1.679 1.00 0.00 C ATOM 867 O GLU A 57 2.610 3.651 2.756 1.00 0.00 O ATOM 868 CB GLU A 57 -0.306 3.699 1.917 1.00 0.00 C ATOM 869 CG GLU A 57 -0.011 5.072 1.330 1.00 0.00 C ATOM 870 CD GLU A 57 -0.750 6.186 2.046 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.819 5.911 2.630 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.261 7.335 2.019 1.00 0.00 O ATOM 0 H GLU A 57 0.731 1.813 3.521 1.00 0.00 H new ATOM 0 HA GLU A 57 0.590 2.278 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.266 3.351 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.405 3.791 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.061 5.262 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.286 5.078 0.275 1.00 0.00 H new ATOM 879 N VAL A 58 2.834 3.348 0.542 1.00 0.00 N ATOM 880 CA VAL A 58 4.195 3.869 0.513 1.00 0.00 C ATOM 881 C VAL A 58 4.291 5.175 -0.262 1.00 0.00 C ATOM 882 O VAL A 58 3.765 5.299 -1.367 1.00 0.00 O ATOM 883 CB VAL A 58 5.173 2.853 -0.108 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.590 3.107 0.385 1.00 0.00 C ATOM 885 CG2 VAL A 58 4.739 1.429 0.202 1.00 0.00 C ATOM 0 H VAL A 58 2.469 3.062 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 58 4.470 4.053 1.552 1.00 0.00 H new ATOM 0 HB VAL A 58 5.160 2.981 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.267 2.380 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.899 4.113 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.621 3.010 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.444 0.728 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.718 1.282 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.744 1.255 -0.207 1.00 0.00 H new ATOM 895 N TRP A 59 4.997 6.137 0.323 1.00 0.00 N ATOM 896 CA TRP A 59 5.209 7.435 -0.311 1.00 0.00 C ATOM 897 C TRP A 59 6.702 7.722 -0.445 1.00 0.00 C ATOM 898 O TRP A 59 7.382 7.984 0.548 1.00 0.00 O ATOM 899 CB TRP A 59 4.530 8.540 0.503 1.00 0.00 C ATOM 900 CG TRP A 59 4.506 9.869 -0.191 1.00 0.00 C ATOM 901 CD1 TRP A 59 4.515 10.096 -1.538 1.00 0.00 C ATOM 902 CD2 TRP A 59 4.459 11.158 0.432 1.00 0.00 C ATOM 903 NE1 TRP A 59 4.483 11.446 -1.790 1.00 0.00 N ATOM 904 CE2 TRP A 59 4.447 12.119 -0.596 1.00 0.00 C ATOM 905 CE3 TRP A 59 4.428 11.593 1.761 1.00 0.00 C ATOM 906 CZ2 TRP A 59 4.405 13.486 -0.337 1.00 0.00 C ATOM 907 CZ3 TRP A 59 4.387 12.950 2.016 1.00 0.00 C ATOM 908 CH2 TRP A 59 4.376 13.883 0.971 1.00 0.00 C ATOM 0 H TRP A 59 5.434 6.042 1.240 1.00 0.00 H new ATOM 0 HA TRP A 59 4.767 7.412 -1.307 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.507 8.238 0.727 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.047 8.647 1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.543 9.326 -2.295 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.486 11.877 -2.714 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.436 10.881 2.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 4.396 14.207 -1.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.363 13.298 3.038 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.344 14.937 1.203 1.00 0.00 H new ATOM 919 N ILE A 60 7.216 7.634 -1.671 1.00 0.00 N ATOM 920 CA ILE A 60 8.638 7.858 -1.920 1.00 0.00 C ATOM 921 C ILE A 60 8.862 8.558 -3.256 1.00 0.00 C ATOM 922 O ILE A 60 7.939 9.139 -3.826 1.00 0.00 O ATOM 923 CB ILE A 60 9.438 6.535 -1.913 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.546 5.359 -1.504 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.634 6.647 -0.979 1.00 0.00 C ATOM 926 CD1 ILE A 60 7.711 4.807 -2.641 1.00 0.00 C ATOM 0 H ILE A 60 6.671 7.410 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 60 8.995 8.494 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 60 9.800 6.349 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.172 4.561 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.883 5.679 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.188 5.709 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.284 7.454 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.287 6.858 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.105 3.977 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.059 5.590 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.367 4.456 -3.437 1.00 0.00 H new ATOM 938 N ASP A 61 10.099 8.499 -3.748 1.00 0.00 N ATOM 939 CA ASP A 61 10.447 9.129 -5.015 1.00 0.00 C ATOM 940 C ASP A 61 11.493 8.314 -5.771 1.00 0.00 C ATOM 941 O ASP A 61 12.226 8.851 -6.602 1.00 0.00 O ATOM 942 CB ASP A 61 10.973 10.544 -4.769 1.00 0.00 C ATOM 943 CG ASP A 61 11.995 10.596 -3.651 1.00 0.00 C ATOM 944 OD1 ASP A 61 11.586 10.581 -2.471 1.00 0.00 O ATOM 945 OD2 ASP A 61 13.205 10.648 -3.956 1.00 0.00 O ATOM 0 H ASP A 61 10.874 8.022 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 61 9.545 9.176 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.422 10.926 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.138 11.201 -4.525 1.00 0.00 H new ATOM 950 N TYR A 62 11.560 7.015 -5.485 1.00 0.00 N ATOM 951 CA TYR A 62 12.528 6.142 -6.146 1.00 0.00 C ATOM 952 C TYR A 62 11.871 5.318 -7.264 1.00 0.00 C ATOM 953 O TYR A 62 12.307 5.388 -8.413 1.00 0.00 O ATOM 954 CB TYR A 62 13.216 5.227 -5.129 1.00 0.00 C ATOM 955 CG TYR A 62 14.320 5.909 -4.353 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.027 6.846 -3.370 1.00 0.00 C ATOM 957 CD2 TYR A 62 15.654 5.620 -4.610 1.00 0.00 C ATOM 958 CE1 TYR A 62 15.034 7.474 -2.661 1.00 0.00 C ATOM 959 CE2 TYR A 62 16.666 6.244 -3.905 1.00 0.00 C ATOM 960 CZ TYR A 62 16.350 7.169 -2.932 1.00 0.00 C ATOM 961 OH TYR A 62 17.356 7.794 -2.229 1.00 0.00 O ATOM 0 H TYR A 62 10.961 6.547 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 62 13.286 6.777 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.470 4.850 -4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.629 4.364 -5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 62 12.996 7.088 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.904 4.897 -5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.791 8.200 -1.899 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.699 6.008 -4.115 1.00 0.00 H new ATOM 0 HH TYR A 62 18.225 7.466 -2.541 1.00 0.00 H new ATOM 971 N PRO A 63 10.806 4.535 -6.968 1.00 0.00 N ATOM 972 CA PRO A 63 10.216 4.398 -5.639 1.00 0.00 C ATOM 973 C PRO A 63 10.777 3.200 -4.877 1.00 0.00 C ATOM 974 O PRO A 63 11.598 2.449 -5.403 1.00 0.00 O ATOM 975 CB PRO A 63 8.745 4.177 -5.971 1.00 0.00 C ATOM 976 CG PRO A 63 8.756 3.417 -7.261 1.00 0.00 C ATOM 977 CD PRO A 63 10.074 3.712 -7.946 1.00 0.00 C ATOM 0 HA PRO A 63 10.414 5.255 -4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.242 3.615 -5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.216 5.124 -6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.649 2.348 -7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.919 3.718 -7.892 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.615 2.796 -8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.926 4.245 -8.885 1.00 0.00 H new ATOM 985 N MET A 64 10.329 3.025 -3.639 1.00 0.00 N ATOM 986 CA MET A 64 10.782 1.913 -2.809 1.00 0.00 C ATOM 987 C MET A 64 10.335 0.579 -3.401 1.00 0.00 C ATOM 988 O MET A 64 10.916 -0.469 -3.108 1.00 0.00 O ATOM 989 CB MET A 64 10.241 2.060 -1.386 1.00 0.00 C ATOM 990 CG MET A 64 10.824 1.054 -0.405 1.00 0.00 C ATOM 991 SD MET A 64 9.804 -0.424 -0.238 1.00 0.00 S ATOM 992 CE MET A 64 8.502 0.183 0.831 1.00 0.00 C ATOM 0 H MET A 64 9.652 3.639 -3.187 1.00 0.00 H new ATOM 0 HA MET A 64 11.871 1.931 -2.779 1.00 0.00 H new ATOM 0 HB2 MET A 64 10.452 3.068 -1.028 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.157 1.949 -1.405 1.00 0.00 H new ATOM 0 HG2 MET A 64 11.822 0.767 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 64 10.935 1.526 0.571 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.427 -0.455 1.711 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.731 1.203 1.141 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.554 0.172 0.293 1.00 0.00 H new ATOM 1002 N SER A 65 9.303 0.626 -4.235 1.00 0.00 N ATOM 1003 CA SER A 65 8.773 -0.576 -4.865 1.00 0.00 C ATOM 1004 C SER A 65 9.807 -1.217 -5.784 1.00 0.00 C ATOM 1005 O SER A 65 9.664 -2.372 -6.181 1.00 0.00 O ATOM 1006 CB SER A 65 7.507 -0.245 -5.659 1.00 0.00 C ATOM 1007 OG SER A 65 7.066 -1.364 -6.407 1.00 0.00 O ATOM 0 H SER A 65 8.816 1.485 -4.491 1.00 0.00 H new ATOM 0 HA SER A 65 8.527 -1.287 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.719 0.073 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.704 0.591 -6.331 1.00 0.00 H new ATOM 0 HG SER A 65 7.757 -2.059 -6.394 1.00 0.00 H new ATOM 1013 N LYS A 66 10.847 -0.460 -6.120 1.00 0.00 N ATOM 1014 CA LYS A 66 11.901 -0.960 -6.996 1.00 0.00 C ATOM 1015 C LYS A 66 12.599 -2.165 -6.377 1.00 0.00 C ATOM 1016 O LYS A 66 13.016 -3.082 -7.083 1.00 0.00 O ATOM 1017 CB LYS A 66 12.919 0.146 -7.293 1.00 0.00 C ATOM 1018 CG LYS A 66 13.804 0.504 -6.107 1.00 0.00 C ATOM 1019 CD LYS A 66 15.234 0.029 -6.316 1.00 0.00 C ATOM 1020 CE LYS A 66 16.215 1.191 -6.308 1.00 0.00 C ATOM 1021 NZ LYS A 66 16.235 1.893 -4.996 1.00 0.00 N ATOM 0 H LYS A 66 10.982 0.499 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 66 11.440 -1.275 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.551 -0.169 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.386 1.039 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.796 1.584 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.399 0.055 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.501 -0.679 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.307 -0.503 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.215 0.823 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.947 1.898 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.133 2.408 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.443 2.565 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.143 1.197 -4.229 1.00 0.00 H new ATOM 1035 N GLU A 67 12.717 -2.158 -5.053 1.00 0.00 N ATOM 1036 CA GLU A 67 13.334 -3.266 -4.334 1.00 0.00 C ATOM 1037 C GLU A 67 12.269 -4.270 -3.912 1.00 0.00 C ATOM 1038 O GLU A 67 12.550 -5.455 -3.713 1.00 0.00 O ATOM 1039 CB GLU A 67 14.089 -2.754 -3.107 1.00 0.00 C ATOM 1040 CG GLU A 67 15.599 -2.770 -3.272 1.00 0.00 C ATOM 1041 CD GLU A 67 16.245 -3.969 -2.605 1.00 0.00 C ATOM 1042 OE1 GLU A 67 15.569 -5.011 -2.470 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.429 -3.867 -2.218 1.00 0.00 O ATOM 0 H GLU A 67 12.393 -1.397 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 67 14.045 -3.759 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.766 -1.736 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.820 -3.364 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.845 -2.773 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.017 -1.856 -2.851 1.00 0.00 H new ATOM 1050 N ARG A 68 11.035 -3.786 -3.809 1.00 0.00 N ATOM 1051 CA ARG A 68 9.913 -4.630 -3.431 1.00 0.00 C ATOM 1052 C ARG A 68 9.678 -5.717 -4.473 1.00 0.00 C ATOM 1053 O ARG A 68 9.563 -6.892 -4.133 1.00 0.00 O ATOM 1054 CB ARG A 68 8.648 -3.788 -3.261 1.00 0.00 C ATOM 1055 CG ARG A 68 8.453 -3.269 -1.845 1.00 0.00 C ATOM 1056 CD ARG A 68 7.034 -2.772 -1.625 1.00 0.00 C ATOM 1057 NE ARG A 68 6.676 -2.750 -0.208 1.00 0.00 N ATOM 1058 CZ ARG A 68 6.365 -3.837 0.492 1.00 0.00 C ATOM 1059 NH1 ARG A 68 6.370 -5.029 -0.089 1.00 0.00 N ATOM 1060 NH2 ARG A 68 6.050 -3.732 1.777 1.00 0.00 N ATOM 0 H ARG A 68 10.789 -2.811 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 68 10.153 -5.107 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.689 -2.942 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.782 -4.386 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.677 -4.062 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.157 -2.459 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.932 -1.769 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.337 -3.413 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 68 6.664 -1.850 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.613 -5.114 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.131 -5.861 0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.046 -2.817 2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.812 -4.566 2.313 1.00 0.00 H new ATOM 1074 N ILE A 69 9.650 -5.326 -5.747 1.00 0.00 N ATOM 1075 CA ILE A 69 9.418 -6.272 -6.833 1.00 0.00 C ATOM 1076 C ILE A 69 10.353 -7.483 -6.738 1.00 0.00 C ATOM 1077 O ILE A 69 9.885 -8.614 -6.700 1.00 0.00 O ATOM 1078 CB ILE A 69 9.578 -5.607 -8.217 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.697 -4.360 -8.316 1.00 0.00 C ATOM 1080 CG2 ILE A 69 9.235 -6.591 -9.325 1.00 0.00 C ATOM 1081 CD1 ILE A 69 9.311 -3.253 -9.147 1.00 0.00 C ATOM 0 H ILE A 69 9.785 -4.361 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 69 8.388 -6.613 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 69 10.619 -5.305 -8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.735 -4.637 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.499 -3.984 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.354 -6.105 -10.293 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.902 -7.451 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.203 -6.923 -9.210 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.633 -2.400 -9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.259 -2.949 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.483 -3.612 -10.161 1.00 0.00 H new ATOM 1093 N PRO A 70 11.688 -7.275 -6.679 1.00 0.00 N ATOM 1094 CA PRO A 70 12.651 -8.381 -6.593 1.00 0.00 C ATOM 1095 C PRO A 70 12.289 -9.404 -5.518 1.00 0.00 C ATOM 1096 O PRO A 70 12.252 -10.606 -5.781 1.00 0.00 O ATOM 1097 CB PRO A 70 13.962 -7.679 -6.245 1.00 0.00 C ATOM 1098 CG PRO A 70 13.824 -6.318 -6.829 1.00 0.00 C ATOM 1099 CD PRO A 70 12.365 -5.962 -6.716 1.00 0.00 C ATOM 0 HA PRO A 70 12.687 -8.956 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.114 -7.634 -5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.818 -8.206 -6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.443 -5.599 -6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.149 -6.305 -7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.163 -5.381 -5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.032 -5.363 -7.564 1.00 0.00 H new ATOM 1107 N GLU A 71 12.022 -8.923 -4.306 1.00 0.00 N ATOM 1108 CA GLU A 71 11.681 -9.805 -3.191 1.00 0.00 C ATOM 1109 C GLU A 71 10.340 -10.506 -3.416 1.00 0.00 C ATOM 1110 O GLU A 71 10.237 -11.734 -3.323 1.00 0.00 O ATOM 1111 CB GLU A 71 11.627 -9.000 -1.889 1.00 0.00 C ATOM 1112 CG GLU A 71 12.986 -8.782 -1.242 1.00 0.00 C ATOM 1113 CD GLU A 71 14.089 -8.527 -2.252 1.00 0.00 C ATOM 1114 OE1 GLU A 71 14.202 -7.378 -2.729 1.00 0.00 O ATOM 1115 OE2 GLU A 71 14.840 -9.475 -2.564 1.00 0.00 O ATOM 0 H GLU A 71 12.035 -7.931 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 71 12.455 -10.570 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.172 -8.030 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.977 -9.515 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.925 -7.936 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.243 -9.657 -0.645 1.00 0.00 H new ATOM 1122 N THR A 72 9.311 -9.714 -3.687 1.00 0.00 N ATOM 1123 CA THR A 72 7.969 -10.244 -3.886 1.00 0.00 C ATOM 1124 C THR A 72 7.937 -11.291 -4.998 1.00 0.00 C ATOM 1125 O THR A 72 7.406 -12.385 -4.809 1.00 0.00 O ATOM 1126 CB THR A 72 6.992 -9.110 -4.193 1.00 0.00 C ATOM 1127 OG1 THR A 72 7.376 -7.921 -3.527 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.572 -9.419 -3.785 1.00 0.00 C ATOM 0 H THR A 72 9.381 -8.700 -3.774 1.00 0.00 H new ATOM 0 HA THR A 72 7.664 -10.735 -2.962 1.00 0.00 H new ATOM 0 HB THR A 72 7.027 -8.987 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.884 -7.351 -4.142 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.930 -8.573 -4.031 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.225 -10.304 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.534 -9.603 -2.711 1.00 0.00 H new ATOM 1136 N VAL A 73 8.515 -10.964 -6.154 1.00 0.00 N ATOM 1137 CA VAL A 73 8.540 -11.880 -7.276 1.00 0.00 C ATOM 1138 C VAL A 73 9.360 -13.121 -6.955 1.00 0.00 C ATOM 1139 O VAL A 73 9.195 -14.163 -7.590 1.00 0.00 O ATOM 1140 CB VAL A 73 9.118 -11.207 -8.532 1.00 0.00 C ATOM 1141 CG1 VAL A 73 8.353 -9.938 -8.874 1.00 0.00 C ATOM 1142 CG2 VAL A 73 10.602 -10.919 -8.362 1.00 0.00 C ATOM 0 H VAL A 73 8.971 -10.069 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 73 7.508 -12.173 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 73 9.004 -11.901 -9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.783 -9.483 -9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.307 -10.183 -9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.420 -9.238 -8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.986 -10.443 -9.264 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.748 -10.254 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.136 -11.853 -8.189 1.00 0.00 H new ATOM 1152 N LYS A 74 10.242 -13.006 -5.968 1.00 0.00 N ATOM 1153 CA LYS A 74 11.063 -14.137 -5.563 1.00 0.00 C ATOM 1154 C LYS A 74 10.170 -15.292 -5.144 1.00 0.00 C ATOM 1155 O LYS A 74 10.258 -16.387 -5.699 1.00 0.00 O ATOM 1156 CB LYS A 74 12.003 -13.748 -4.421 1.00 0.00 C ATOM 1157 CG LYS A 74 13.382 -14.378 -4.528 1.00 0.00 C ATOM 1158 CD LYS A 74 14.245 -13.660 -5.553 1.00 0.00 C ATOM 1159 CE LYS A 74 15.720 -13.749 -5.199 1.00 0.00 C ATOM 1160 NZ LYS A 74 16.151 -12.624 -4.324 1.00 0.00 N ATOM 0 H LYS A 74 10.405 -12.149 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 74 11.675 -14.446 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.109 -12.663 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.551 -14.041 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.872 -14.350 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.283 -15.427 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.079 -14.095 -6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.946 -12.613 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.916 -14.696 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.313 -13.745 -6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.163 -12.722 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.988 -11.721 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.603 -12.642 -3.440 1.00 0.00 H new ATOM 1174 N LYS A 75 9.274 -15.035 -4.192 1.00 0.00 N ATOM 1175 CA LYS A 75 8.341 -16.068 -3.753 1.00 0.00 C ATOM 1176 C LYS A 75 7.037 -16.015 -4.570 1.00 0.00 C ATOM 1177 O LYS A 75 6.693 -16.990 -5.239 1.00 0.00 O ATOM 1178 CB LYS A 75 8.099 -15.983 -2.238 1.00 0.00 C ATOM 1179 CG LYS A 75 7.056 -14.977 -1.804 1.00 0.00 C ATOM 1180 CD LYS A 75 7.604 -14.042 -0.744 1.00 0.00 C ATOM 1181 CE LYS A 75 7.785 -12.642 -1.291 1.00 0.00 C ATOM 1182 NZ LYS A 75 8.673 -11.817 -0.426 1.00 0.00 N ATOM 0 H LYS A 75 9.176 -14.137 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 75 8.788 -17.044 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.801 -16.968 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.042 -15.737 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.724 -14.399 -2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.182 -15.500 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.926 -14.017 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.560 -14.420 -0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.205 -12.696 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.812 -12.158 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.894 -10.923 -0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.192 -11.615 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.554 -12.336 -0.238 1.00 0.00 H new ATOM 1196 N LEU A 76 6.304 -14.898 -4.513 1.00 0.00 N ATOM 1197 CA LEU A 76 5.091 -14.745 -5.320 1.00 0.00 C ATOM 1198 C LEU A 76 5.375 -13.898 -6.558 1.00 0.00 C ATOM 1199 O LEU A 76 6.064 -14.333 -7.480 1.00 0.00 O ATOM 1200 CB LEU A 76 3.929 -14.137 -4.515 1.00 0.00 C ATOM 1201 CG LEU A 76 4.294 -13.011 -3.545 1.00 0.00 C ATOM 1202 CD1 LEU A 76 3.340 -11.838 -3.726 1.00 0.00 C ATOM 1203 CD2 LEU A 76 4.253 -13.505 -2.110 1.00 0.00 C ATOM 0 H LEU A 76 6.527 -14.096 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 76 4.785 -15.744 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.188 -13.757 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.450 -14.936 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 76 5.309 -12.680 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.607 -11.041 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.410 -11.467 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.319 -12.165 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.516 -12.689 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.249 -13.860 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.965 -14.321 -1.986 1.00 0.00 H new ATOM 1215 N GLY A 77 4.842 -12.678 -6.561 1.00 0.00 N ATOM 1216 CA GLY A 77 5.055 -11.761 -7.657 1.00 0.00 C ATOM 1217 C GLY A 77 5.148 -10.330 -7.169 1.00 0.00 C ATOM 1218 O GLY A 77 6.237 -9.822 -6.919 1.00 0.00 O ATOM 0 H GLY A 77 4.259 -12.309 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.971 -12.028 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.238 -11.851 -8.373 1.00 0.00 H new ATOM 1222 N HIS A 78 4.003 -9.669 -7.061 1.00 0.00 N ATOM 1223 CA HIS A 78 3.959 -8.301 -6.550 1.00 0.00 C ATOM 1224 C HIS A 78 2.653 -8.044 -5.804 1.00 0.00 C ATOM 1225 O HIS A 78 1.623 -8.641 -6.118 1.00 0.00 O ATOM 1226 CB HIS A 78 4.131 -7.288 -7.684 1.00 0.00 C ATOM 1227 CG HIS A 78 3.667 -7.794 -9.015 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.447 -8.410 -9.157 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.287 -7.753 -10.219 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.350 -8.729 -10.434 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.440 -8.349 -11.117 1.00 0.00 N ATOM 0 H HIS A 78 3.094 -10.054 -7.319 1.00 0.00 H new ATOM 0 HA HIS A 78 4.787 -8.178 -5.852 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.579 -6.381 -7.437 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.183 -7.011 -7.756 1.00 0.00 H new ATOM 0 HD1 HIS A 78 1.758 -8.585 -8.426 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.259 -7.333 -10.430 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.501 -9.232 -10.873 1.00 0.00 H new ATOM 1239 N GLU A 79 2.698 -7.150 -4.821 1.00 0.00 N ATOM 1240 CA GLU A 79 1.516 -6.789 -4.064 1.00 0.00 C ATOM 1241 C GLU A 79 0.932 -5.501 -4.626 1.00 0.00 C ATOM 1242 O GLU A 79 1.081 -4.433 -4.041 1.00 0.00 O ATOM 1243 CB GLU A 79 1.871 -6.614 -2.585 1.00 0.00 C ATOM 1244 CG GLU A 79 3.310 -6.974 -2.246 1.00 0.00 C ATOM 1245 CD GLU A 79 3.420 -8.258 -1.448 1.00 0.00 C ATOM 1246 OE1 GLU A 79 2.727 -9.236 -1.799 1.00 0.00 O ATOM 1247 OE2 GLU A 79 4.201 -8.287 -0.473 1.00 0.00 O ATOM 0 H GLU A 79 3.547 -6.663 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 79 0.775 -7.584 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.690 -5.578 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.202 -7.232 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.882 -7.074 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.760 -6.159 -1.679 1.00 0.00 H new ATOM 1254 N VAL A 80 0.296 -5.602 -5.784 1.00 0.00 N ATOM 1255 CA VAL A 80 -0.236 -4.428 -6.461 1.00 0.00 C ATOM 1256 C VAL A 80 -1.725 -4.251 -6.201 1.00 0.00 C ATOM 1257 O VAL A 80 -2.528 -5.140 -6.484 1.00 0.00 O ATOM 1258 CB VAL A 80 -0.003 -4.506 -7.983 1.00 0.00 C ATOM 1259 CG1 VAL A 80 0.232 -3.117 -8.556 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.165 -5.429 -8.306 1.00 0.00 C ATOM 0 H VAL A 80 0.136 -6.482 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 80 0.299 -3.570 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.898 -4.922 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.395 -3.190 -9.631 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.639 -2.491 -8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.109 -2.673 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.310 -5.468 -9.386 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.070 -5.050 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.952 -6.430 -7.932 1.00 0.00 H new ATOM 1270 N LEU A 81 -2.083 -3.081 -5.683 1.00 0.00 N ATOM 1271 CA LEU A 81 -3.475 -2.763 -5.400 1.00 0.00 C ATOM 1272 C LEU A 81 -3.825 -1.373 -5.917 1.00 0.00 C ATOM 1273 O LEU A 81 -4.937 -1.139 -6.390 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.756 -2.865 -3.897 1.00 0.00 C ATOM 1275 CG LEU A 81 -3.443 -1.607 -3.082 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.720 -0.841 -2.773 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.713 -1.970 -1.799 1.00 0.00 C ATOM 0 H LEU A 81 -1.426 -2.337 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.103 -3.488 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.808 -3.115 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.175 -3.693 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.793 -0.965 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.479 0.050 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.203 -0.548 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.395 -1.476 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.499 -1.063 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.338 -2.633 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.778 -2.475 -2.043 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.867 -0.454 -5.833 1.00 0.00 N ATOM 1290 CA GLU A 82 -3.084 0.910 -6.310 1.00 0.00 C ATOM 1291 C GLU A 82 -1.774 1.578 -6.718 1.00 0.00 C ATOM 1292 O GLU A 82 -0.717 1.290 -6.157 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.783 1.745 -5.237 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.737 2.785 -5.800 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.315 4.203 -5.469 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -4.475 4.612 -4.300 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -3.827 4.905 -6.379 1.00 0.00 O ATOM 0 H GLU A 82 -1.940 -0.626 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.721 0.852 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.335 1.080 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.029 2.247 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.796 2.671 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.737 2.606 -5.406 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.856 2.474 -7.700 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.687 3.205 -8.184 1.00 0.00 C ATOM 1306 C ILE A 83 -1.059 4.645 -8.532 1.00 0.00 C ATOM 1307 O ILE A 83 -2.066 4.888 -9.197 1.00 0.00 O ATOM 1308 CB ILE A 83 -0.067 2.534 -9.428 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.200 1.052 -9.163 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.218 3.241 -9.830 1.00 0.00 C ATOM 1311 CD1 ILE A 83 -0.607 0.125 -10.045 1.00 0.00 C ATOM 0 H ILE A 83 -2.725 2.712 -8.178 1.00 0.00 H new ATOM 0 HA ILE A 83 0.048 3.196 -7.379 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.778 2.614 -10.250 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.261 0.850 -9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.023 0.832 -8.119 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.641 2.755 -10.709 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.002 4.284 -10.061 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.933 3.192 -9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.366 -0.910 -9.802 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.670 0.299 -9.879 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.367 0.317 -11.091 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.247 5.598 -8.078 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.508 7.009 -8.343 1.00 0.00 C ATOM 1325 C GLU A 84 0.762 7.837 -8.217 1.00 0.00 C ATOM 1326 O GLU A 84 1.845 7.306 -7.970 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.577 7.540 -7.385 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.218 7.379 -5.917 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.437 7.369 -5.015 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.358 8.179 -5.253 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.471 6.552 -4.071 1.00 0.00 O ATOM 0 H GLU A 84 0.593 5.419 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.871 7.096 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.747 8.596 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.516 7.021 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.664 6.450 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.556 8.192 -5.618 1.00 0.00 H new ATOM 1338 N GLU A 85 0.615 9.143 -8.389 1.00 0.00 N ATOM 1339 CA GLU A 85 1.744 10.063 -8.300 1.00 0.00 C ATOM 1340 C GLU A 85 1.392 11.271 -7.439 1.00 0.00 C ATOM 1341 O GLU A 85 0.227 11.493 -7.110 1.00 0.00 O ATOM 1342 CB GLU A 85 2.167 10.521 -9.697 1.00 0.00 C ATOM 1343 CG GLU A 85 1.044 11.171 -10.488 1.00 0.00 C ATOM 1344 CD GLU A 85 1.488 12.431 -11.203 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.394 12.342 -12.057 1.00 0.00 O ATOM 1346 OE2 GLU A 85 0.930 13.510 -10.908 1.00 0.00 O ATOM 0 H GLU A 85 -0.278 9.592 -8.592 1.00 0.00 H new ATOM 0 HA GLU A 85 2.576 9.536 -7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.992 11.228 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.543 9.663 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.660 10.459 -11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.222 11.411 -9.814 1.00 0.00 H new ATOM 1353 N VAL A 86 2.408 12.043 -7.067 1.00 0.00 N ATOM 1354 CA VAL A 86 2.207 13.219 -6.230 1.00 0.00 C ATOM 1355 C VAL A 86 2.777 14.471 -6.891 1.00 0.00 C ATOM 1356 O VAL A 86 2.034 15.376 -7.270 1.00 0.00 O ATOM 1357 CB VAL A 86 2.857 13.033 -4.848 1.00 0.00 C ATOM 1358 CG1 VAL A 86 2.544 14.215 -3.942 1.00 0.00 C ATOM 1359 CG2 VAL A 86 2.382 11.733 -4.223 1.00 0.00 C ATOM 0 H VAL A 86 3.378 11.875 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 86 1.131 13.343 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 86 3.939 12.985 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.013 14.063 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.929 15.130 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.465 14.300 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.847 11.608 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.298 11.759 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.660 10.898 -4.866 1.00 0.00 H new ATOM 1369 N GLY A 87 4.099 14.514 -7.023 1.00 0.00 N ATOM 1370 CA GLY A 87 4.747 15.659 -7.636 1.00 0.00 C ATOM 1371 C GLY A 87 5.625 15.271 -8.812 1.00 0.00 C ATOM 1372 O GLY A 87 5.393 14.239 -9.444 1.00 0.00 O ATOM 0 H GLY A 87 4.733 13.776 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.988 16.365 -7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.352 16.173 -6.889 1.00 0.00 H new ATOM 1376 N PRO A 88 6.651 16.081 -9.131 1.00 0.00 N ATOM 1377 CA PRO A 88 7.562 15.802 -10.247 1.00 0.00 C ATOM 1378 C PRO A 88 8.204 14.422 -10.140 1.00 0.00 C ATOM 1379 O PRO A 88 7.877 13.513 -10.904 1.00 0.00 O ATOM 1380 CB PRO A 88 8.625 16.900 -10.130 1.00 0.00 C ATOM 1381 CG PRO A 88 7.954 18.000 -9.384 1.00 0.00 C ATOM 1382 CD PRO A 88 7.002 17.332 -8.434 1.00 0.00 C ATOM 0 HA PRO A 88 7.041 15.800 -11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.507 16.542 -9.599 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.959 17.234 -11.112 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.682 18.607 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.424 18.667 -10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.468 17.137 -7.468 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.123 17.948 -8.246 1.00 0.00 H new ATOM 1390 N SER A 89 9.119 14.273 -9.186 1.00 0.00 N ATOM 1391 CA SER A 89 9.805 13.003 -8.979 1.00 0.00 C ATOM 1392 C SER A 89 9.194 12.233 -7.814 1.00 0.00 C ATOM 1393 O SER A 89 9.642 11.137 -7.478 1.00 0.00 O ATOM 1394 CB SER A 89 11.296 13.242 -8.726 1.00 0.00 C ATOM 1395 OG SER A 89 11.683 14.538 -9.146 1.00 0.00 O ATOM 0 H SER A 89 9.402 15.015 -8.546 1.00 0.00 H new ATOM 0 HA SER A 89 9.687 12.404 -9.882 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.512 13.121 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.883 12.493 -9.258 1.00 0.00 H new ATOM 0 HG SER A 89 12.639 14.666 -8.972 1.00 0.00 H new ATOM 1401 N GLU A 90 8.172 12.818 -7.201 1.00 0.00 N ATOM 1402 CA GLU A 90 7.488 12.187 -6.074 1.00 0.00 C ATOM 1403 C GLU A 90 6.282 11.386 -6.553 1.00 0.00 C ATOM 1404 O GLU A 90 5.485 11.872 -7.355 1.00 0.00 O ATOM 1405 CB GLU A 90 7.040 13.241 -5.054 1.00 0.00 C ATOM 1406 CG GLU A 90 7.509 14.653 -5.376 1.00 0.00 C ATOM 1407 CD GLU A 90 8.988 14.855 -5.104 1.00 0.00 C ATOM 1408 OE1 GLU A 90 9.565 14.056 -4.335 1.00 0.00 O ATOM 1409 OE2 GLU A 90 9.568 15.812 -5.657 1.00 0.00 O ATOM 0 H GLU A 90 7.797 13.729 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 90 8.192 11.508 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.952 13.235 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.414 12.961 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.304 14.869 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.934 15.366 -4.785 1.00 0.00 H new ATOM 1416 N TRP A 91 6.159 10.152 -6.069 1.00 0.00 N ATOM 1417 CA TRP A 91 5.047 9.290 -6.456 1.00 0.00 C ATOM 1418 C TRP A 91 4.511 8.521 -5.255 1.00 0.00 C ATOM 1419 O TRP A 91 5.202 8.364 -4.248 1.00 0.00 O ATOM 1420 CB TRP A 91 5.483 8.308 -7.547 1.00 0.00 C ATOM 1421 CG TRP A 91 6.277 8.945 -8.648 1.00 0.00 C ATOM 1422 CD1 TRP A 91 5.805 9.782 -9.618 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.680 8.796 -8.893 1.00 0.00 C ATOM 1424 NE1 TRP A 91 6.829 10.164 -10.450 1.00 0.00 N ATOM 1425 CE2 TRP A 91 7.990 9.572 -10.026 1.00 0.00 C ATOM 1426 CE3 TRP A 91 8.706 8.082 -8.265 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 9.281 9.654 -10.543 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 9.986 8.165 -8.780 1.00 0.00 C ATOM 1429 CH2 TRP A 91 10.264 8.945 -9.908 1.00 0.00 C ATOM 0 H TRP A 91 6.813 9.729 -5.411 1.00 0.00 H new ATOM 0 HA TRP A 91 4.252 9.925 -6.846 1.00 0.00 H new ATOM 0 HB2 TRP A 91 6.078 7.515 -7.093 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.598 7.837 -7.975 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.777 10.098 -9.717 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.740 10.787 -11.253 1.00 0.00 H new ATOM 0 HE3 TRP A 91 8.502 7.477 -7.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 9.498 10.255 -11.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 10.786 7.618 -8.303 1.00 0.00 H new ATOM 0 HH2 TRP A 91 11.275 8.988 -10.285 1.00 0.00 H new ATOM 1440 N LYS A 92 3.276 8.042 -5.368 1.00 0.00 N ATOM 1441 CA LYS A 92 2.651 7.282 -4.299 1.00 0.00 C ATOM 1442 C LYS A 92 2.186 5.926 -4.815 1.00 0.00 C ATOM 1443 O LYS A 92 1.459 5.845 -5.803 1.00 0.00 O ATOM 1444 CB LYS A 92 1.469 8.057 -3.721 1.00 0.00 C ATOM 1445 CG LYS A 92 1.029 7.553 -2.361 1.00 0.00 C ATOM 1446 CD LYS A 92 0.059 8.514 -1.694 1.00 0.00 C ATOM 1447 CE LYS A 92 0.788 9.679 -1.043 1.00 0.00 C ATOM 1448 NZ LYS A 92 -0.139 10.793 -0.699 1.00 0.00 N ATOM 0 H LYS A 92 2.690 8.169 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 92 3.386 7.123 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.738 9.110 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.629 7.995 -4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.557 6.576 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.902 7.416 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.646 8.892 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.523 7.982 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.291 9.333 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.561 10.046 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.397 11.567 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.600 11.141 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.862 10.450 -0.035 1.00 0.00 H new ATOM 1462 N ILE A 93 2.612 4.865 -4.144 1.00 0.00 N ATOM 1463 CA ILE A 93 2.251 3.515 -4.552 1.00 0.00 C ATOM 1464 C ILE A 93 1.607 2.752 -3.402 1.00 0.00 C ATOM 1465 O ILE A 93 1.909 2.994 -2.234 1.00 0.00 O ATOM 1466 CB ILE A 93 3.482 2.734 -5.057 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.198 3.526 -6.153 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.072 1.361 -5.574 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.320 4.398 -5.634 1.00 0.00 C ATOM 0 H ILE A 93 3.207 4.913 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 93 1.534 3.607 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 93 4.169 2.594 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.600 2.830 -6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.472 4.152 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.954 0.826 -5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.601 0.795 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.367 1.478 -6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.782 4.930 -6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.921 5.118 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.067 3.775 -5.142 1.00 0.00 H new ATOM 1481 N TYR A 94 0.716 1.831 -3.744 1.00 0.00 N ATOM 1482 CA TYR A 94 0.026 1.027 -2.747 1.00 0.00 C ATOM 1483 C TYR A 94 0.355 -0.447 -2.935 1.00 0.00 C ATOM 1484 O TYR A 94 0.204 -0.993 -4.031 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.485 1.243 -2.840 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.995 2.379 -1.982 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.669 3.698 -2.271 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.814 2.131 -0.886 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.139 4.737 -1.490 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.287 3.165 -0.101 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.948 4.466 -0.407 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.415 5.498 0.374 1.00 0.00 O ATOM 0 H TYR A 94 0.454 1.623 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 94 0.364 1.339 -1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.751 1.437 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.992 0.324 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.038 3.915 -3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.085 1.114 -0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.874 5.757 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.920 2.955 0.749 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.920 5.518 1.220 1.00 0.00 H new ATOM 1502 N ILE A 95 0.745 -1.093 -1.840 1.00 0.00 N ATOM 1503 CA ILE A 95 1.134 -2.496 -1.865 1.00 0.00 C ATOM 1504 C ILE A 95 0.289 -3.293 -0.879 1.00 0.00 C ATOM 1505 O ILE A 95 -0.179 -2.753 0.123 1.00 0.00 O ATOM 1506 CB ILE A 95 2.641 -2.655 -1.526 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.390 -3.287 -2.701 1.00 0.00 C ATOM 1508 CG2 ILE A 95 2.847 -3.481 -0.261 1.00 0.00 C ATOM 1509 CD1 ILE A 95 3.519 -2.371 -3.899 1.00 0.00 C ATOM 0 H ILE A 95 0.800 -0.661 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 95 0.965 -2.881 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 95 3.045 -1.659 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.386 -3.582 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.872 -4.197 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.914 -3.571 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.356 -2.989 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.419 -4.474 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.061 -2.885 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.526 -2.096 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.063 -1.471 -3.612 1.00 0.00 H new ATOM 1521 N LYS A 96 0.042 -4.561 -1.196 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.789 -5.395 -0.333 1.00 0.00 C ATOM 1523 C LYS A 96 -0.396 -6.866 -0.427 1.00 0.00 C ATOM 1524 O LYS A 96 -0.709 -7.543 -1.407 1.00 0.00 O ATOM 1525 CB LYS A 96 -2.269 -5.206 -0.695 1.00 0.00 C ATOM 1526 CG LYS A 96 -3.164 -6.373 -0.304 1.00 0.00 C ATOM 1527 CD LYS A 96 -3.704 -7.089 -1.530 1.00 0.00 C ATOM 1528 CE LYS A 96 -5.224 -7.121 -1.537 1.00 0.00 C ATOM 1529 NZ LYS A 96 -5.763 -7.665 -2.814 1.00 0.00 N ATOM 0 H LYS A 96 0.399 -5.028 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.630 -5.082 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.637 -4.302 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.350 -5.045 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.602 -7.075 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.994 -6.010 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.346 -6.590 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.318 -8.108 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.578 -7.730 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.609 -6.113 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.802 -7.670 -2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.447 -7.070 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.417 -8.636 -2.951 1.00 0.00 H new ATOM 1543 N VAL A 97 0.289 -7.355 0.601 1.00 0.00 N ATOM 1544 CA VAL A 97 0.696 -8.752 0.646 1.00 0.00 C ATOM 1545 C VAL A 97 -0.529 -9.658 0.670 1.00 0.00 C ATOM 1546 O VAL A 97 -1.349 -9.573 1.586 1.00 0.00 O ATOM 1547 CB VAL A 97 1.563 -9.057 1.884 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.328 -10.358 1.690 1.00 0.00 C ATOM 1549 CG2 VAL A 97 2.513 -7.907 2.178 1.00 0.00 C ATOM 0 H VAL A 97 0.573 -6.805 1.412 1.00 0.00 H new ATOM 0 HA VAL A 97 1.288 -8.942 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 97 0.903 -9.173 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.935 -10.558 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.623 -11.176 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.975 -10.273 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.113 -8.146 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.169 -7.749 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.939 -7.000 2.368 1.00 0.00 H new ATOM 1559 N LYS A 98 -0.656 -10.507 -0.347 1.00 0.00 N ATOM 1560 CA LYS A 98 -1.790 -11.420 -0.446 1.00 0.00 C ATOM 1561 C LYS A 98 -1.797 -12.412 0.711 1.00 0.00 C ATOM 1562 O LYS A 98 -0.839 -13.206 0.814 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.749 -12.175 -1.776 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.500 -11.477 -2.897 1.00 0.00 C ATOM 1565 CD LYS A 98 -1.769 -11.610 -4.223 1.00 0.00 C ATOM 1566 CE LYS A 98 -2.598 -11.068 -5.374 1.00 0.00 C ATOM 1567 NZ LYS A 98 -1.790 -10.914 -6.616 1.00 0.00 N ATOM 1568 OXT LYS A 98 -2.760 -12.386 1.506 1.00 0.00 O ATOM 0 H LYS A 98 0.013 -10.581 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.703 -10.827 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.710 -12.310 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.171 -13.170 -1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.500 -11.902 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.623 -10.422 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.821 -11.074 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.533 -12.658 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.435 -11.739 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.021 -10.103 -5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.392 -10.542 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.006 -10.254 -6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.407 -11.839 -6.898 1.00 0.00 H new