USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 9 SER OG : rot -163:sc= -1.07! USER MOD Set 1.2: A 63 LYS NZ :NH3+ 135:sc= 1.03 (180deg=0.528) USER MOD Set 1.3: A 64 TYR OH : rot 30:sc= 0.691 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.16 K(o=0.34,f=-0.61) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -117:sc= 0.177 (180deg=0) USER MOD Set 3.1: A 41 MET CE :methyl -164:sc= -0.282 (180deg=-0.454) USER MOD Set 3.2: A 76 MET CE :methyl 169:sc= -0.656 (180deg=-1.1) USER MOD Set 3.3: A 80 HEM CMA :methyl -30:sc= -2.63! (180deg=-5.45!) USER MOD Set 3.4: A 80 HEM CMB :methyl -30:sc= -1.5 (180deg=-1.84) USER MOD Single : A 1 ALA N :NH3+ 167:sc= 1.73 (180deg=1.62) USER MOD Single : A 7 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 86:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0212) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 79:sc= 0.88 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.613 (180deg=0.24) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0.489 (180deg=0.473) USER MOD Single : A 32 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.3!) USER MOD Single : A 38 TYR OH : rot -29:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0.695 (180deg=0.691) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -0.154 (180deg=-0.172) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 0.909 (180deg=0.649) USER MOD Single : A 44 TYR OH : rot 32:sc= 1.15 USER MOD Single : A 48 SER OG : rot -46:sc= 0.659 USER MOD Single : A 49 TYR OH : rot 163:sc= 1.19 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0674) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 163:sc= -3.01 (180deg=-4.14!) USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 65 SER OG : rot 13:sc= 0.374 USER MOD Single : A 70 LYS NZ :NH3+ 132:sc= 0.0149 (180deg=-0.0707) USER MOD Single : A 75 TYR OH : rot -143:sc= 1.21 USER MOD Single : A 77 SER OG : rot 72:sc= 1.02 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.0102 (180deg=-0.131) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.478 (180deg=-0.478) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.401 (180deg=-5.78!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.378 -12.800 -3.441 1.00 0.00 N ATOM 2 CA ALA A 1 -2.325 -13.355 -4.309 1.00 0.00 C ATOM 3 C ALA A 1 -0.970 -12.942 -3.730 1.00 0.00 C ATOM 4 O ALA A 1 -0.960 -12.375 -2.643 1.00 0.00 O ATOM 5 CB ALA A 1 -2.502 -12.876 -5.755 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.298 -12.873 -3.921 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.409 -13.334 -2.549 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.171 -11.801 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.388 -14.443 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.713 -13.298 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.473 -13.201 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.446 -11.788 -5.787 1.00 0.00 H new ATOM 6 N ASP A 2 0.143 -13.192 -4.424 1.00 0.00 N ATOM 7 CA ASP A 2 1.473 -12.853 -3.926 1.00 0.00 C ATOM 8 C ASP A 2 1.626 -11.373 -3.591 1.00 0.00 C ATOM 9 O ASP A 2 1.463 -10.528 -4.467 1.00 0.00 O ATOM 10 CB ASP A 2 2.521 -13.183 -4.984 1.00 0.00 C ATOM 11 CG ASP A 2 3.927 -12.840 -4.503 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.170 -12.938 -3.281 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.723 -12.425 -5.369 1.00 0.00 O ATOM 0 H ASP A 2 0.145 -13.634 -5.343 1.00 0.00 H new ATOM 0 HA ASP A 2 1.611 -13.436 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.468 -14.243 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.303 -12.631 -5.898 1.00 0.00 H new ATOM 14 N GLY A 3 2.007 -11.066 -2.351 1.00 0.00 N ATOM 15 CA GLY A 3 2.227 -9.700 -1.924 1.00 0.00 C ATOM 16 C GLY A 3 3.305 -9.043 -2.784 1.00 0.00 C ATOM 17 O GLY A 3 3.088 -7.964 -3.322 1.00 0.00 O ATOM 0 H GLY A 3 2.169 -11.761 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.298 -9.134 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.528 -9.683 -0.876 1.00 0.00 H new ATOM 18 N ALA A 4 4.461 -9.690 -2.950 1.00 0.00 N ATOM 19 CA ALA A 4 5.534 -9.122 -3.758 1.00 0.00 C ATOM 20 C ALA A 4 5.056 -8.784 -5.171 1.00 0.00 C ATOM 21 O ALA A 4 5.278 -7.666 -5.634 1.00 0.00 O ATOM 22 CB ALA A 4 6.733 -10.075 -3.789 1.00 0.00 C ATOM 0 H ALA A 4 4.674 -10.599 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 4 5.848 -8.186 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.528 -9.640 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.097 -10.235 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.429 -11.029 -4.220 1.00 0.00 H new ATOM 23 N ALA A 5 4.393 -9.723 -5.855 1.00 0.00 N ATOM 24 CA ALA A 5 3.909 -9.483 -7.204 1.00 0.00 C ATOM 25 C ALA A 5 2.911 -8.332 -7.197 1.00 0.00 C ATOM 26 O ALA A 5 3.064 -7.391 -7.974 1.00 0.00 O ATOM 27 CB ALA A 5 3.259 -10.736 -7.793 1.00 0.00 C ATOM 0 H ALA A 5 4.183 -10.652 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 5 4.762 -9.222 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.907 -10.523 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.990 -11.544 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.416 -11.035 -7.171 1.00 0.00 H new ATOM 28 N LEU A 6 1.896 -8.382 -6.325 1.00 0.00 N ATOM 29 CA LEU A 6 0.911 -7.333 -6.262 1.00 0.00 C ATOM 30 C LEU A 6 1.581 -5.969 -6.069 1.00 0.00 C ATOM 31 O LEU A 6 1.287 -5.029 -6.812 1.00 0.00 O ATOM 32 CB LEU A 6 -0.029 -7.672 -5.108 1.00 0.00 C ATOM 33 CG LEU A 6 -0.962 -8.865 -5.365 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.598 -9.283 -4.035 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.069 -8.517 -6.361 1.00 0.00 C ATOM 0 H LEU A 6 1.749 -9.142 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 6 0.349 -7.266 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.569 -7.881 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.637 -6.795 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.372 -9.677 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.264 -10.130 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.816 -9.568 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.167 -8.448 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.707 -9.387 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.667 -7.694 -5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.624 -8.221 -7.311 1.00 0.00 H new ATOM 36 N TYR A 7 2.516 -5.857 -5.116 1.00 0.00 N ATOM 37 CA TYR A 7 3.152 -4.578 -4.839 1.00 0.00 C ATOM 38 C TYR A 7 3.946 -3.991 -6.017 1.00 0.00 C ATOM 39 O TYR A 7 4.276 -2.801 -5.994 1.00 0.00 O ATOM 40 CB TYR A 7 4.000 -4.674 -3.564 1.00 0.00 C ATOM 41 CG TYR A 7 4.142 -3.347 -2.835 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.991 -2.619 -2.477 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.404 -2.864 -2.449 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.098 -1.371 -1.848 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.508 -1.628 -1.789 1.00 0.00 C ATOM 46 CZ TYR A 7 4.368 -0.833 -1.600 1.00 0.00 C ATOM 47 OH TYR A 7 4.502 0.454 -1.182 1.00 0.00 O ATOM 0 H TYR A 7 2.840 -6.630 -4.535 1.00 0.00 H new ATOM 0 HA TYR A 7 2.345 -3.863 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.550 -5.404 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.991 -5.047 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.014 -3.027 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.292 -3.442 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.210 -0.829 -1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.467 -1.289 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 7 5.452 0.660 -1.058 1.00 0.00 H new ATOM 48 N LYS A 8 4.243 -4.765 -7.067 1.00 0.00 N ATOM 49 CA LYS A 8 4.969 -4.211 -8.210 1.00 0.00 C ATOM 50 C LYS A 8 4.202 -3.028 -8.822 1.00 0.00 C ATOM 51 O LYS A 8 4.820 -2.089 -9.319 1.00 0.00 O ATOM 52 CB LYS A 8 5.242 -5.288 -9.268 1.00 0.00 C ATOM 53 CG LYS A 8 6.116 -6.446 -8.760 1.00 0.00 C ATOM 54 CD LYS A 8 7.444 -6.037 -8.105 1.00 0.00 C ATOM 55 CE LYS A 8 8.328 -5.197 -9.035 1.00 0.00 C ATOM 56 NZ LYS A 8 9.636 -4.921 -8.417 1.00 0.00 N ATOM 0 H LYS A 8 3.998 -5.752 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 8 5.930 -3.845 -7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.291 -5.689 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.730 -4.826 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.539 -7.024 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.334 -7.108 -9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.237 -5.470 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.988 -6.933 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.472 -5.724 -9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.827 -4.257 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.214 -4.351 -9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.497 -4.398 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.122 -5.819 -8.218 1.00 0.00 H new ATOM 57 N SER A 9 2.865 -3.035 -8.750 1.00 0.00 N ATOM 58 CA SER A 9 2.043 -1.944 -9.276 1.00 0.00 C ATOM 59 C SER A 9 2.153 -0.660 -8.439 1.00 0.00 C ATOM 60 O SER A 9 1.608 0.372 -8.820 1.00 0.00 O ATOM 61 CB SER A 9 0.571 -2.388 -9.324 1.00 0.00 C ATOM 62 OG SER A 9 0.100 -2.921 -8.096 1.00 0.00 O ATOM 0 H SER A 9 2.328 -3.793 -8.328 1.00 0.00 H new ATOM 0 HA SER A 9 2.414 -1.717 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.048 -1.535 -9.602 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.451 -3.138 -10.106 1.00 0.00 H new ATOM 0 HG SER A 9 -0.726 -3.424 -8.253 1.00 0.00 H new ATOM 63 N CYS A 10 2.850 -0.722 -7.305 1.00 0.00 N ATOM 64 CA CYS A 10 2.991 0.333 -6.315 1.00 0.00 C ATOM 65 C CYS A 10 4.402 0.895 -6.327 1.00 0.00 C ATOM 66 O CYS A 10 4.598 2.102 -6.167 1.00 0.00 O ATOM 67 CB CYS A 10 2.649 -0.295 -4.964 1.00 0.00 C ATOM 68 SG CYS A 10 1.289 -1.505 -5.031 1.00 0.00 S ATOM 0 H CYS A 10 3.361 -1.564 -7.041 1.00 0.00 H new ATOM 0 HA CYS A 10 2.327 1.170 -6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.538 -0.785 -4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.383 0.497 -4.264 1.00 0.00 H new ATOM 69 N ILE A 11 5.377 0.002 -6.534 1.00 0.00 N ATOM 70 CA ILE A 11 6.801 0.303 -6.641 1.00 0.00 C ATOM 71 C ILE A 11 7.015 1.557 -7.509 1.00 0.00 C ATOM 72 O ILE A 11 7.896 2.360 -7.221 1.00 0.00 O ATOM 73 CB ILE A 11 7.518 -0.968 -7.168 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.354 -1.648 -6.070 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.450 -0.692 -8.353 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.520 -2.141 -4.885 1.00 0.00 C ATOM 0 H ILE A 11 5.181 -0.994 -6.635 1.00 0.00 H new ATOM 0 HA ILE A 11 7.238 0.549 -5.673 1.00 0.00 H new ATOM 0 HB ILE A 11 6.710 -1.621 -7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.890 -2.492 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.105 -0.945 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.919 -1.623 -8.672 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.874 -0.274 -9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.221 0.018 -8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.174 -2.610 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.005 -1.297 -4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.787 -2.868 -5.234 1.00 0.00 H new ATOM 77 N GLY A 12 6.201 1.751 -8.553 1.00 0.00 N ATOM 78 CA GLY A 12 6.282 2.919 -9.422 1.00 0.00 C ATOM 79 C GLY A 12 6.309 4.240 -8.639 1.00 0.00 C ATOM 80 O GLY A 12 7.093 5.128 -8.964 1.00 0.00 O ATOM 0 H GLY A 12 5.465 1.095 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.179 2.848 -10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.429 2.921 -10.101 1.00 0.00 H new ATOM 81 N CYS A 13 5.454 4.378 -7.617 1.00 0.00 N ATOM 82 CA CYS A 13 5.383 5.579 -6.782 1.00 0.00 C ATOM 83 C CYS A 13 6.212 5.396 -5.515 1.00 0.00 C ATOM 84 O CYS A 13 6.923 6.306 -5.097 1.00 0.00 O ATOM 85 CB CYS A 13 3.941 5.879 -6.357 1.00 0.00 C ATOM 86 SG CYS A 13 2.923 6.849 -7.499 1.00 0.00 S ATOM 0 H CYS A 13 4.789 3.653 -7.347 1.00 0.00 H new ATOM 0 HA CYS A 13 5.770 6.405 -7.379 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.437 4.929 -6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.973 6.406 -5.403 1.00 0.00 H new ATOM 87 N HIS A 14 6.091 4.223 -4.889 1.00 0.00 N ATOM 88 CA HIS A 14 6.766 3.889 -3.639 1.00 0.00 C ATOM 89 C HIS A 14 8.274 3.664 -3.799 1.00 0.00 C ATOM 90 O HIS A 14 8.996 3.530 -2.807 1.00 0.00 O ATOM 91 CB HIS A 14 6.033 2.687 -3.043 1.00 0.00 C ATOM 92 CG HIS A 14 4.696 3.110 -2.494 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.588 3.755 -1.273 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.417 3.070 -2.997 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.302 4.103 -1.120 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.520 3.629 -2.092 1.00 0.00 N ATOM 0 H HIS A 14 5.509 3.466 -5.247 1.00 0.00 H new ATOM 0 HA HIS A 14 6.716 4.735 -2.953 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.895 1.922 -3.807 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.635 2.242 -2.251 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.345 3.932 -0.613 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.146 2.662 -3.960 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.938 4.702 -0.299 1.00 0.00 H new ATOM 97 N GLY A 15 8.766 3.659 -5.038 1.00 0.00 N ATOM 98 CA GLY A 15 10.169 3.488 -5.338 1.00 0.00 C ATOM 99 C GLY A 15 10.667 2.120 -4.907 1.00 0.00 C ATOM 100 O GLY A 15 9.894 1.177 -4.736 1.00 0.00 O ATOM 0 H GLY A 15 8.184 3.776 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.331 3.615 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.747 4.262 -4.834 1.00 0.00 H new ATOM 101 N ALA A 16 11.982 2.026 -4.718 1.00 0.00 N ATOM 102 CA ALA A 16 12.619 0.791 -4.321 1.00 0.00 C ATOM 103 C ALA A 16 12.139 0.344 -2.948 1.00 0.00 C ATOM 104 O ALA A 16 12.610 0.809 -1.912 1.00 0.00 O ATOM 105 CB ALA A 16 14.129 0.953 -4.322 1.00 0.00 C ATOM 0 H ALA A 16 12.627 2.807 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 16 12.345 0.022 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.596 0.015 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.466 1.221 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.411 1.740 -3.622 1.00 0.00 H new ATOM 106 N ASP A 17 11.156 -0.542 -2.978 1.00 0.00 N ATOM 107 CA ASP A 17 10.554 -1.208 -1.857 1.00 0.00 C ATOM 108 C ASP A 17 10.196 -0.216 -0.755 1.00 0.00 C ATOM 109 O ASP A 17 10.707 -0.278 0.357 1.00 0.00 O ATOM 110 CB ASP A 17 11.503 -2.337 -1.419 1.00 0.00 C ATOM 111 CG ASP A 17 11.507 -3.467 -2.447 1.00 0.00 C ATOM 112 OD1 ASP A 17 10.512 -4.227 -2.470 1.00 0.00 O ATOM 113 OD2 ASP A 17 12.486 -3.529 -3.221 1.00 0.00 O ATOM 0 H ASP A 17 10.733 -0.829 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 17 9.600 -1.661 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.513 -1.944 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.193 -2.723 -0.448 1.00 0.00 H new ATOM 114 N GLY A 18 9.314 0.729 -1.091 1.00 0.00 N ATOM 115 CA GLY A 18 8.814 1.719 -0.152 1.00 0.00 C ATOM 116 C GLY A 18 9.839 2.740 0.329 1.00 0.00 C ATOM 117 O GLY A 18 9.499 3.538 1.203 1.00 0.00 O ATOM 0 H GLY A 18 8.928 0.824 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.986 2.253 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.409 1.199 0.716 1.00 0.00 H new ATOM 118 N SER A 19 11.066 2.746 -0.206 1.00 0.00 N ATOM 119 CA SER A 19 12.059 3.718 0.229 1.00 0.00 C ATOM 120 C SER A 19 11.673 5.136 -0.202 1.00 0.00 C ATOM 121 O SER A 19 12.093 6.094 0.444 1.00 0.00 O ATOM 122 CB SER A 19 13.443 3.357 -0.321 1.00 0.00 C ATOM 123 OG SER A 19 13.836 2.079 0.136 1.00 0.00 O ATOM 0 H SER A 19 11.385 2.099 -0.927 1.00 0.00 H new ATOM 0 HA SER A 19 12.095 3.692 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.423 3.370 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.173 4.103 -0.006 1.00 0.00 H new ATOM 0 HG SER A 19 13.479 1.392 -0.465 1.00 0.00 H new ATOM 124 N LYS A 20 10.910 5.296 -1.292 1.00 0.00 N ATOM 125 CA LYS A 20 10.520 6.620 -1.749 1.00 0.00 C ATOM 126 C LYS A 20 9.222 7.035 -1.065 1.00 0.00 C ATOM 127 O LYS A 20 8.229 6.306 -1.094 1.00 0.00 O ATOM 128 CB LYS A 20 10.367 6.628 -3.277 1.00 0.00 C ATOM 129 CG LYS A 20 9.886 7.974 -3.835 1.00 0.00 C ATOM 130 CD LYS A 20 9.858 7.920 -5.369 1.00 0.00 C ATOM 131 CE LYS A 20 9.041 9.075 -5.960 1.00 0.00 C ATOM 132 NZ LYS A 20 9.559 10.391 -5.546 1.00 0.00 N ATOM 0 H LYS A 20 10.558 4.528 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 20 11.295 7.339 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.325 6.376 -3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.662 5.850 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.892 8.203 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.548 8.774 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.877 7.960 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.433 6.970 -5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.053 9.007 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.001 8.980 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.042 11.141 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.430 10.508 -4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.571 10.454 -5.777 1.00 0.00 H new ATOM 133 N ALA A 21 9.232 8.225 -0.459 1.00 0.00 N ATOM 134 CA ALA A 21 8.056 8.801 0.165 1.00 0.00 C ATOM 135 C ALA A 21 7.140 9.205 -0.990 1.00 0.00 C ATOM 136 O ALA A 21 7.209 10.327 -1.481 1.00 0.00 O ATOM 137 CB ALA A 21 8.466 9.991 1.038 1.00 0.00 C ATOM 0 H ALA A 21 10.063 8.812 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 21 7.540 8.107 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.580 10.422 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.157 9.654 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.953 10.745 0.420 1.00 0.00 H new ATOM 138 N ALA A 22 6.335 8.250 -1.458 1.00 0.00 N ATOM 139 CA ALA A 22 5.450 8.382 -2.602 1.00 0.00 C ATOM 140 C ALA A 22 4.792 9.755 -2.751 1.00 0.00 C ATOM 141 O ALA A 22 4.154 10.233 -1.817 1.00 0.00 O ATOM 142 CB ALA A 22 4.400 7.271 -2.580 1.00 0.00 C ATOM 0 H ALA A 22 6.284 7.327 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 22 6.084 8.282 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.740 7.377 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.896 6.301 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.814 7.342 -1.663 1.00 0.00 H new ATOM 143 N MET A 23 4.961 10.326 -3.954 1.00 0.00 N ATOM 144 CA MET A 23 4.486 11.596 -4.503 1.00 0.00 C ATOM 145 C MET A 23 4.121 12.664 -3.467 1.00 0.00 C ATOM 146 O MET A 23 4.860 13.630 -3.303 1.00 0.00 O ATOM 147 CB MET A 23 3.314 11.309 -5.454 1.00 0.00 C ATOM 148 CG MET A 23 3.704 10.364 -6.600 1.00 0.00 C ATOM 149 SD MET A 23 5.045 10.942 -7.672 1.00 0.00 S ATOM 150 CE MET A 23 5.105 9.581 -8.857 1.00 0.00 C ATOM 0 H MET A 23 5.512 9.834 -4.657 1.00 0.00 H new ATOM 0 HA MET A 23 5.325 12.040 -5.039 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.491 10.870 -4.889 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.950 12.248 -5.870 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.993 9.404 -6.172 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.822 10.186 -7.216 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.883 9.775 -9.595 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.326 8.651 -8.333 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.142 9.494 -9.360 1.00 0.00 H new ATOM 151 N GLY A 24 2.964 12.532 -2.813 1.00 0.00 N ATOM 152 CA GLY A 24 2.507 13.472 -1.798 1.00 0.00 C ATOM 153 C GLY A 24 3.556 13.697 -0.709 1.00 0.00 C ATOM 154 O GLY A 24 3.664 14.802 -0.183 1.00 0.00 O ATOM 0 H GLY A 24 2.316 11.762 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.264 14.424 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.589 13.098 -1.345 1.00 0.00 H new ATOM 155 N SER A 25 4.317 12.638 -0.416 1.00 0.00 N ATOM 156 CA SER A 25 5.406 12.459 0.539 1.00 0.00 C ATOM 157 C SER A 25 4.981 11.357 1.505 1.00 0.00 C ATOM 158 O SER A 25 4.951 11.589 2.713 1.00 0.00 O ATOM 159 CB SER A 25 5.788 13.738 1.304 1.00 0.00 C ATOM 160 OG SER A 25 6.256 14.736 0.420 1.00 0.00 O ATOM 0 H SER A 25 4.156 11.765 -0.918 1.00 0.00 H new ATOM 0 HA SER A 25 6.307 12.190 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.923 14.110 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.558 13.509 2.040 1.00 0.00 H new ATOM 0 HG SER A 25 5.494 15.163 -0.024 1.00 0.00 H new ATOM 161 N ALA A 26 4.651 10.155 1.006 1.00 0.00 N ATOM 162 CA ALA A 26 4.210 9.108 1.899 1.00 0.00 C ATOM 163 C ALA A 26 5.200 8.751 2.994 1.00 0.00 C ATOM 164 O ALA A 26 6.412 8.779 2.797 1.00 0.00 O ATOM 165 CB ALA A 26 3.951 7.839 1.089 1.00 0.00 C ATOM 0 H ALA A 26 4.684 9.902 0.018 1.00 0.00 H new ATOM 0 HA ALA A 26 3.315 9.496 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.618 7.044 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.180 8.034 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.870 7.532 0.589 1.00 0.00 H new ATOM 166 N LYS A 27 4.664 8.382 4.155 1.00 0.00 N ATOM 167 CA LYS A 27 5.479 7.869 5.238 1.00 0.00 C ATOM 168 C LYS A 27 6.121 6.616 4.618 1.00 0.00 C ATOM 169 O LYS A 27 5.368 5.849 4.010 1.00 0.00 O ATOM 170 CB LYS A 27 4.592 7.503 6.434 1.00 0.00 C ATOM 171 CG LYS A 27 3.786 8.690 6.977 1.00 0.00 C ATOM 172 CD LYS A 27 2.910 8.279 8.173 1.00 0.00 C ATOM 173 CE LYS A 27 1.936 7.124 7.880 1.00 0.00 C ATOM 174 NZ LYS A 27 1.107 7.376 6.687 1.00 0.00 N ATOM 0 H LYS A 27 3.667 8.431 4.364 1.00 0.00 H new ATOM 0 HA LYS A 27 6.215 8.580 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.904 6.711 6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.217 7.102 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.467 9.485 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.156 9.095 6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.558 7.991 9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.338 9.146 8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.501 6.203 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.288 6.971 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.327 6.689 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.718 8.340 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.690 7.277 5.832 1.00 0.00 H new ATOM 175 N PRO A 28 7.456 6.443 4.658 1.00 0.00 N ATOM 176 CA PRO A 28 8.148 5.309 4.059 1.00 0.00 C ATOM 177 C PRO A 28 7.423 3.986 4.297 1.00 0.00 C ATOM 178 O PRO A 28 7.543 3.390 5.364 1.00 0.00 O ATOM 179 CB PRO A 28 9.554 5.326 4.659 1.00 0.00 C ATOM 180 CG PRO A 28 9.800 6.823 4.844 1.00 0.00 C ATOM 181 CD PRO A 28 8.423 7.349 5.259 1.00 0.00 C ATOM 0 HA PRO A 28 8.182 5.396 2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.601 4.785 5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.288 4.871 3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.553 7.017 5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.151 7.291 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.321 7.366 6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.272 8.370 4.909 1.00 0.00 H new ATOM 182 N VAL A 29 6.694 3.517 3.276 1.00 0.00 N ATOM 183 CA VAL A 29 5.910 2.294 3.356 1.00 0.00 C ATOM 184 C VAL A 29 6.795 1.143 3.853 1.00 0.00 C ATOM 185 O VAL A 29 6.309 0.264 4.560 1.00 0.00 O ATOM 186 CB VAL A 29 5.191 2.028 2.019 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.755 0.570 1.893 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.904 2.864 1.955 1.00 0.00 C ATOM 0 H VAL A 29 6.636 3.983 2.370 1.00 0.00 H new ATOM 0 HA VAL A 29 5.112 2.395 4.092 1.00 0.00 H new ATOM 0 HB VAL A 29 5.893 2.282 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.252 0.422 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.630 -0.077 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.071 0.323 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.395 2.676 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.249 2.587 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.154 3.922 2.029 1.00 0.00 H new ATOM 189 N LYS A 30 8.081 1.154 3.484 1.00 0.00 N ATOM 190 CA LYS A 30 9.122 0.224 3.879 1.00 0.00 C ATOM 191 C LYS A 30 9.139 -0.180 5.358 1.00 0.00 C ATOM 192 O LYS A 30 9.922 0.301 6.176 1.00 0.00 O ATOM 193 CB LYS A 30 10.470 0.831 3.512 1.00 0.00 C ATOM 194 CG LYS A 30 11.603 -0.204 3.555 1.00 0.00 C ATOM 195 CD LYS A 30 12.959 0.406 3.192 1.00 0.00 C ATOM 196 CE LYS A 30 13.954 -0.702 2.816 1.00 0.00 C ATOM 197 NZ LYS A 30 14.084 -1.725 3.871 1.00 0.00 N ATOM 0 H LYS A 30 8.439 1.872 2.853 1.00 0.00 H new ATOM 0 HA LYS A 30 8.909 -0.700 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.412 1.263 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.699 1.646 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.658 -0.639 4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.376 -1.017 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.843 1.099 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.345 0.981 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.630 -1.178 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.931 -0.259 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.791 -2.432 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.386 -1.273 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.166 -2.193 4.016 1.00 0.00 H new ATOM 198 N GLY A 31 8.273 -1.124 5.664 1.00 0.00 N ATOM 199 CA GLY A 31 8.136 -1.751 6.952 1.00 0.00 C ATOM 200 C GLY A 31 7.143 -1.044 7.850 1.00 0.00 C ATOM 201 O GLY A 31 7.166 -1.324 9.048 1.00 0.00 O ATOM 0 H GLY A 31 7.612 -1.491 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.821 -2.786 6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.109 -1.776 7.443 1.00 0.00 H new ATOM 202 N GLN A 32 6.282 -0.142 7.335 1.00 0.00 N ATOM 203 CA GLN A 32 5.352 0.503 8.239 1.00 0.00 C ATOM 204 C GLN A 32 4.227 -0.463 8.609 1.00 0.00 C ATOM 205 O GLN A 32 3.198 -0.566 7.965 1.00 0.00 O ATOM 206 CB GLN A 32 4.944 1.920 7.852 1.00 0.00 C ATOM 207 CG GLN A 32 3.933 2.302 6.736 1.00 0.00 C ATOM 208 CD GLN A 32 4.162 3.738 6.188 1.00 0.00 C ATOM 209 OE1 GLN A 32 5.131 4.391 6.560 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.340 4.268 5.272 1.00 0.00 N ATOM 0 H GLN A 32 6.221 0.134 6.355 1.00 0.00 H new ATOM 0 HA GLN A 32 5.880 0.719 9.168 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.563 2.377 8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.871 2.436 7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.014 1.587 5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.919 2.224 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.528 3.741 4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.526 5.198 4.897 1.00 0.00 H new ATOM 211 N GLY A 33 4.447 -1.106 9.745 1.00 0.00 N ATOM 212 CA GLY A 33 3.675 -2.185 10.350 1.00 0.00 C ATOM 213 C GLY A 33 3.414 -3.311 9.330 1.00 0.00 C ATOM 214 O GLY A 33 4.242 -3.589 8.465 1.00 0.00 O ATOM 0 H GLY A 33 5.250 -0.862 10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.212 -2.585 11.210 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.726 -1.796 10.720 1.00 0.00 H new ATOM 215 N ALA A 34 2.271 -3.988 9.474 1.00 0.00 N ATOM 216 CA ALA A 34 1.710 -5.032 8.609 1.00 0.00 C ATOM 217 C ALA A 34 0.213 -4.826 8.781 1.00 0.00 C ATOM 218 O ALA A 34 -0.484 -4.437 7.848 1.00 0.00 O ATOM 219 CB ALA A 34 2.132 -6.461 8.963 1.00 0.00 C ATOM 0 H ALA A 34 1.660 -3.803 10.270 1.00 0.00 H new ATOM 0 HA ALA A 34 2.068 -4.937 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.667 -7.160 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.216 -6.548 8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.813 -6.693 9.979 1.00 0.00 H new ATOM 220 N GLU A 35 -0.257 -4.989 10.025 1.00 0.00 N ATOM 221 CA GLU A 35 -1.643 -4.711 10.369 1.00 0.00 C ATOM 222 C GLU A 35 -1.927 -3.256 9.975 1.00 0.00 C ATOM 223 O GLU A 35 -3.024 -2.943 9.533 1.00 0.00 O ATOM 224 CB GLU A 35 -1.877 -4.933 11.869 1.00 0.00 C ATOM 225 CG GLU A 35 -3.377 -4.854 12.200 1.00 0.00 C ATOM 226 CD GLU A 35 -3.651 -4.907 13.700 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.968 -5.703 14.380 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.542 -4.146 14.136 1.00 0.00 O ATOM 0 H GLU A 35 0.311 -5.314 10.807 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.317 -5.383 9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.485 -5.906 12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.332 -4.183 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.787 -3.930 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.897 -5.677 11.710 1.00 0.00 H new ATOM 229 N GLU A 36 -0.923 -2.380 10.121 1.00 0.00 N ATOM 230 CA GLU A 36 -0.991 -0.981 9.757 1.00 0.00 C ATOM 231 C GLU A 36 -1.394 -0.905 8.290 1.00 0.00 C ATOM 232 O GLU A 36 -2.529 -0.553 7.983 1.00 0.00 O ATOM 233 CB GLU A 36 0.381 -0.333 10.033 1.00 0.00 C ATOM 234 CG GLU A 36 0.501 1.109 9.523 1.00 0.00 C ATOM 235 CD GLU A 36 1.634 1.887 10.189 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.599 1.234 10.642 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.513 3.131 10.228 1.00 0.00 O ATOM 0 H GLU A 36 -0.018 -2.646 10.509 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.730 -0.435 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.568 -0.345 11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.158 -0.939 9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.663 1.095 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.441 1.629 9.697 1.00 0.00 H new ATOM 238 N LEU A 37 -0.496 -1.293 7.382 1.00 0.00 N ATOM 239 CA LEU A 37 -0.784 -1.231 5.964 1.00 0.00 C ATOM 240 C LEU A 37 -2.082 -1.947 5.596 1.00 0.00 C ATOM 241 O LEU A 37 -2.811 -1.483 4.727 1.00 0.00 O ATOM 242 CB LEU A 37 0.365 -1.816 5.145 1.00 0.00 C ATOM 243 CG LEU A 37 1.753 -1.317 5.555 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.564 -2.507 6.068 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.539 -0.642 4.442 1.00 0.00 C ATOM 0 H LEU A 37 0.431 -1.651 7.611 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.904 -0.174 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.342 -2.902 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.203 -1.579 4.094 1.00 0.00 H new ATOM 0 HG LEU A 37 1.591 -0.557 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.557 -2.170 6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.059 -2.948 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.655 -3.253 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.508 -0.321 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.686 -1.345 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.986 0.225 4.081 1.00 0.00 H new ATOM 246 N TYR A 38 -2.382 -3.074 6.239 1.00 0.00 N ATOM 247 CA TYR A 38 -3.580 -3.845 5.960 1.00 0.00 C ATOM 248 C TYR A 38 -4.828 -3.056 6.340 1.00 0.00 C ATOM 249 O TYR A 38 -5.804 -3.024 5.594 1.00 0.00 O ATOM 250 CB TYR A 38 -3.477 -5.129 6.777 1.00 0.00 C ATOM 251 CG TYR A 38 -4.540 -6.199 6.614 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.386 -6.273 5.487 1.00 0.00 C ATOM 253 CD2 TYR A 38 -4.651 -7.167 7.628 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.370 -7.276 5.412 1.00 0.00 C ATOM 255 CE2 TYR A 38 -5.625 -8.171 7.547 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.495 -8.218 6.449 1.00 0.00 C ATOM 257 OH TYR A 38 -7.432 -9.203 6.404 1.00 0.00 O ATOM 0 H TYR A 38 -1.795 -3.475 6.970 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.661 -4.070 4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.514 -5.586 6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.455 -4.847 7.830 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.278 -5.560 4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.981 -7.136 8.475 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.029 -7.323 4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.705 -8.909 8.331 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.206 -8.895 5.888 1.00 0.00 H new ATOM 258 N LYS A 39 -4.787 -2.408 7.501 1.00 0.00 N ATOM 259 CA LYS A 39 -5.903 -1.632 8.016 1.00 0.00 C ATOM 260 C LYS A 39 -6.074 -0.391 7.148 1.00 0.00 C ATOM 261 O LYS A 39 -7.189 -0.005 6.803 1.00 0.00 O ATOM 262 CB LYS A 39 -5.628 -1.276 9.484 1.00 0.00 C ATOM 263 CG LYS A 39 -6.851 -0.693 10.202 1.00 0.00 C ATOM 264 CD LYS A 39 -6.487 -0.145 11.592 1.00 0.00 C ATOM 265 CE LYS A 39 -5.718 -1.132 12.484 1.00 0.00 C ATOM 266 NZ LYS A 39 -6.442 -2.402 12.671 1.00 0.00 N ATOM 0 H LYS A 39 -3.971 -2.409 8.113 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.831 -2.202 7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.296 -2.170 10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.810 -0.557 9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.282 0.105 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.615 -1.464 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.887 0.756 11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.403 0.150 12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.743 -1.335 12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.537 -0.674 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.868 -3.047 13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.347 -2.218 13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.622 -2.838 11.744 1.00 0.00 H new ATOM 267 N LYS A 40 -4.953 0.225 6.776 1.00 0.00 N ATOM 268 CA LYS A 40 -4.928 1.408 5.959 1.00 0.00 C ATOM 269 C LYS A 40 -5.515 1.080 4.583 1.00 0.00 C ATOM 270 O LYS A 40 -6.375 1.801 4.077 1.00 0.00 O ATOM 271 CB LYS A 40 -3.472 1.846 5.884 1.00 0.00 C ATOM 272 CG LYS A 40 -2.877 2.316 7.225 1.00 0.00 C ATOM 273 CD LYS A 40 -3.230 3.771 7.529 1.00 0.00 C ATOM 274 CE LYS A 40 -2.502 4.308 8.768 1.00 0.00 C ATOM 275 NZ LYS A 40 -1.052 4.444 8.533 1.00 0.00 N ATOM 0 H LYS A 40 -4.025 -0.101 7.046 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.530 2.219 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.875 1.016 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.386 2.655 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.245 1.678 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.793 2.203 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.978 4.390 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.306 3.856 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.918 5.277 9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.673 3.637 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.572 4.645 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.681 3.559 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.880 5.224 7.867 1.00 0.00 H new ATOM 276 N MET A 41 -5.064 -0.026 3.981 1.00 0.00 N ATOM 277 CA MET A 41 -5.569 -0.466 2.699 1.00 0.00 C ATOM 278 C MET A 41 -7.026 -0.859 2.835 1.00 0.00 C ATOM 279 O MET A 41 -7.773 -0.585 1.912 1.00 0.00 O ATOM 280 CB MET A 41 -4.764 -1.633 2.147 1.00 0.00 C ATOM 281 CG MET A 41 -3.479 -1.128 1.498 1.00 0.00 C ATOM 282 SD MET A 41 -2.557 -2.399 0.608 1.00 0.00 S ATOM 283 CE MET A 41 -2.079 -3.432 2.002 1.00 0.00 C ATOM 0 H MET A 41 -4.343 -0.630 4.375 1.00 0.00 H new ATOM 0 HA MET A 41 -5.473 0.362 1.996 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.525 -2.331 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.358 -2.180 1.415 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.726 -0.322 0.807 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.838 -0.702 2.269 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.276 -4.103 1.699 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.735 -2.801 2.821 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.937 -4.018 2.331 1.00 0.00 H new ATOM 284 N LYS A 42 -7.453 -1.515 3.919 1.00 0.00 N ATOM 285 CA LYS A 42 -8.871 -1.816 4.078 1.00 0.00 C ATOM 286 C LYS A 42 -9.616 -0.476 4.046 1.00 0.00 C ATOM 287 O LYS A 42 -10.642 -0.336 3.383 1.00 0.00 O ATOM 288 CB LYS A 42 -9.124 -2.597 5.374 1.00 0.00 C ATOM 289 CG LYS A 42 -10.626 -2.854 5.551 1.00 0.00 C ATOM 290 CD LYS A 42 -10.888 -3.878 6.660 1.00 0.00 C ATOM 291 CE LYS A 42 -12.380 -3.938 7.016 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.228 -4.173 5.833 1.00 0.00 N ATOM 0 H LYS A 42 -6.853 -1.838 4.678 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.232 -2.458 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.586 -3.545 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.740 -2.036 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.132 -1.918 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.049 -3.214 4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.548 -4.862 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.310 -3.615 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.546 -4.733 7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.676 -3.003 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.175 -4.473 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.305 -3.295 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.803 -4.917 5.243 1.00 0.00 H new ATOM 293 N GLY A 43 -9.060 0.522 4.739 1.00 0.00 N ATOM 294 CA GLY A 43 -9.591 1.867 4.767 1.00 0.00 C ATOM 295 C GLY A 43 -9.771 2.382 3.340 1.00 0.00 C ATOM 296 O GLY A 43 -10.885 2.719 2.956 1.00 0.00 O ATOM 0 H GLY A 43 -8.217 0.406 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.547 1.880 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.917 2.523 5.318 1.00 0.00 H new ATOM 297 N TYR A 44 -8.701 2.427 2.537 1.00 0.00 N ATOM 298 CA TYR A 44 -8.796 2.907 1.159 1.00 0.00 C ATOM 299 C TYR A 44 -9.757 2.038 0.334 1.00 0.00 C ATOM 300 O TYR A 44 -10.591 2.567 -0.395 1.00 0.00 O ATOM 301 CB TYR A 44 -7.406 2.943 0.507 1.00 0.00 C ATOM 302 CG TYR A 44 -6.444 3.984 1.052 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.806 5.347 1.075 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.130 3.614 1.397 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.890 6.313 1.525 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.202 4.589 1.798 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.585 5.935 1.877 1.00 0.00 C ATOM 308 OH TYR A 44 -3.708 6.843 2.384 1.00 0.00 O ATOM 0 H TYR A 44 -7.764 2.137 2.819 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.197 3.920 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.948 1.960 0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.532 3.117 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.789 5.649 0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.834 2.576 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.191 7.348 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.191 4.301 2.046 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.197 7.515 2.903 1.00 0.00 H new ATOM 309 N ALA A 45 -9.655 0.713 0.457 1.00 0.00 N ATOM 310 CA ALA A 45 -10.476 -0.277 -0.233 1.00 0.00 C ATOM 311 C ALA A 45 -11.952 0.093 -0.057 1.00 0.00 C ATOM 312 O ALA A 45 -12.709 0.145 -1.022 1.00 0.00 O ATOM 313 CB ALA A 45 -10.228 -1.679 0.330 1.00 0.00 C ATOM 0 H ALA A 45 -8.963 0.283 1.071 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.211 -0.282 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.851 -2.399 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.178 -1.943 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.478 -1.695 1.391 1.00 0.00 H new ATOM 314 N ASP A 46 -12.333 0.383 1.194 1.00 0.00 N ATOM 315 CA ASP A 46 -13.691 0.744 1.586 1.00 0.00 C ATOM 316 C ASP A 46 -13.931 2.262 1.537 1.00 0.00 C ATOM 317 O ASP A 46 -14.926 2.731 2.084 1.00 0.00 O ATOM 318 CB ASP A 46 -13.951 0.216 3.010 1.00 0.00 C ATOM 319 CG ASP A 46 -13.785 -1.297 3.155 1.00 0.00 C ATOM 320 OD1 ASP A 46 -14.055 -2.010 2.164 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.407 -1.723 4.269 1.00 0.00 O ATOM 0 H ASP A 46 -11.682 0.371 1.979 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.382 0.291 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.270 0.713 3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.963 0.490 3.308 1.00 0.00 H new ATOM 322 N GLY A 47 -13.038 3.044 0.918 1.00 0.00 N ATOM 323 CA GLY A 47 -13.147 4.497 0.804 1.00 0.00 C ATOM 324 C GLY A 47 -13.395 5.193 2.147 1.00 0.00 C ATOM 325 O GLY A 47 -14.090 6.204 2.202 1.00 0.00 O ATOM 0 H GLY A 47 -12.200 2.671 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.231 4.890 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.960 4.741 0.120 1.00 0.00 H new ATOM 326 N SER A 48 -12.797 4.670 3.220 1.00 0.00 N ATOM 327 CA SER A 48 -12.928 5.148 4.587 1.00 0.00 C ATOM 328 C SER A 48 -11.578 5.556 5.192 1.00 0.00 C ATOM 329 O SER A 48 -11.383 5.405 6.398 1.00 0.00 O ATOM 330 CB SER A 48 -13.580 4.019 5.395 1.00 0.00 C ATOM 331 OG SER A 48 -13.908 4.460 6.697 1.00 0.00 O ATOM 0 H SER A 48 -12.179 3.862 3.149 1.00 0.00 H new ATOM 0 HA SER A 48 -13.542 6.048 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.480 3.673 4.886 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.901 3.169 5.454 1.00 0.00 H new ATOM 0 HG SER A 48 -13.150 4.951 7.077 1.00 0.00 H new ATOM 332 N TYR A 49 -10.642 6.056 4.381 1.00 0.00 N ATOM 333 CA TYR A 49 -9.333 6.521 4.828 1.00 0.00 C ATOM 334 C TYR A 49 -8.804 7.473 3.758 1.00 0.00 C ATOM 335 O TYR A 49 -9.301 7.455 2.632 1.00 0.00 O ATOM 336 CB TYR A 49 -8.392 5.334 5.083 1.00 0.00 C ATOM 337 CG TYR A 49 -6.992 5.703 5.546 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.808 6.547 6.658 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.870 5.236 4.839 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.523 7.017 6.981 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.584 5.696 5.173 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.411 6.617 6.219 1.00 0.00 C ATOM 343 OH TYR A 49 -3.162 7.013 6.597 1.00 0.00 O ATOM 0 H TYR A 49 -10.779 6.149 3.375 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.403 7.050 5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.846 4.686 5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.312 4.752 4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.655 6.834 7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.996 4.523 4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.390 7.687 7.817 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.726 5.340 4.623 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.492 6.452 6.153 1.00 0.00 H new ATOM 344 N GLY A 50 -7.825 8.314 4.109 1.00 0.00 N ATOM 345 CA GLY A 50 -7.261 9.297 3.202 1.00 0.00 C ATOM 346 C GLY A 50 -5.756 9.458 3.332 1.00 0.00 C ATOM 347 O GLY A 50 -5.070 8.658 3.962 1.00 0.00 O ATOM 0 H GLY A 50 -7.405 8.325 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.499 9.011 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.737 10.261 3.383 1.00 0.00 H new ATOM 348 N GLY A 51 -5.259 10.504 2.679 1.00 0.00 N ATOM 349 CA GLY A 51 -3.903 10.927 2.557 1.00 0.00 C ATOM 350 C GLY A 51 -3.779 11.824 1.332 1.00 0.00 C ATOM 351 O GLY A 51 -4.751 12.024 0.598 1.00 0.00 O ATOM 0 H GLY A 51 -5.882 11.133 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.593 11.466 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.245 10.063 2.461 1.00 0.00 H new ATOM 352 N GLU A 52 -2.577 12.346 1.120 1.00 0.00 N ATOM 353 CA GLU A 52 -2.217 13.246 0.033 1.00 0.00 C ATOM 354 C GLU A 52 -2.529 12.657 -1.349 1.00 0.00 C ATOM 355 O GLU A 52 -2.731 13.421 -2.292 1.00 0.00 O ATOM 356 CB GLU A 52 -0.728 13.610 0.120 1.00 0.00 C ATOM 357 CG GLU A 52 -0.343 14.376 1.397 1.00 0.00 C ATOM 358 CD GLU A 52 0.026 13.459 2.561 1.00 0.00 C ATOM 359 OE1 GLU A 52 1.230 13.133 2.662 1.00 0.00 O ATOM 360 OE2 GLU A 52 -0.895 13.120 3.336 1.00 0.00 O ATOM 0 H GLU A 52 -1.788 12.142 1.733 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.826 14.143 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.138 12.695 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.461 14.214 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.499 15.032 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.175 15.014 1.695 1.00 0.00 H new ATOM 361 N ARG A 53 -2.523 11.328 -1.493 1.00 0.00 N ATOM 362 CA ARG A 53 -2.850 10.650 -2.759 1.00 0.00 C ATOM 363 C ARG A 53 -3.906 9.571 -2.515 1.00 0.00 C ATOM 364 O ARG A 53 -3.933 8.556 -3.211 1.00 0.00 O ATOM 365 CB ARG A 53 -1.614 10.076 -3.496 1.00 0.00 C ATOM 366 CG ARG A 53 -0.498 11.104 -3.719 1.00 0.00 C ATOM 367 CD ARG A 53 -0.858 12.097 -4.829 1.00 0.00 C ATOM 368 NE ARG A 53 0.234 13.051 -5.057 1.00 0.00 N ATOM 369 CZ ARG A 53 0.372 14.243 -4.457 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.505 14.662 -3.537 1.00 0.00 N ATOM 371 NH2 ARG A 53 1.408 15.020 -4.789 1.00 0.00 N ATOM 0 H ARG A 53 -2.291 10.687 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.256 11.409 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.216 9.239 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.929 9.679 -4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.311 11.646 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.426 10.588 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.071 11.556 -5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.766 12.636 -4.559 1.00 0.00 H new ATOM 0 HE ARG A 53 0.951 12.784 -5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.296 14.072 -3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.382 15.572 -3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.079 14.704 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.527 15.929 -4.342 1.00 0.00 H new ATOM 372 N LYS A 54 -4.826 9.832 -1.579 1.00 0.00 N ATOM 373 CA LYS A 54 -5.911 8.932 -1.216 1.00 0.00 C ATOM 374 C LYS A 54 -6.652 8.375 -2.433 1.00 0.00 C ATOM 375 O LYS A 54 -7.025 7.205 -2.454 1.00 0.00 O ATOM 376 CB LYS A 54 -6.914 9.686 -0.339 1.00 0.00 C ATOM 377 CG LYS A 54 -7.505 10.976 -0.931 1.00 0.00 C ATOM 378 CD LYS A 54 -8.309 11.714 0.147 1.00 0.00 C ATOM 379 CE LYS A 54 -8.955 12.993 -0.400 1.00 0.00 C ATOM 380 NZ LYS A 54 -7.947 13.984 -0.817 1.00 0.00 N ATOM 0 H LYS A 54 -4.831 10.700 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.467 8.091 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.736 9.011 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.425 9.935 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.706 11.616 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.147 10.738 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.083 11.054 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.654 11.966 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.591 12.744 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.599 13.430 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.418 14.881 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.272 14.141 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.438 13.631 -1.652 1.00 0.00 H new ATOM 381 N ALA A 55 -6.902 9.227 -3.432 1.00 0.00 N ATOM 382 CA ALA A 55 -7.623 8.851 -4.639 1.00 0.00 C ATOM 383 C ALA A 55 -6.832 7.821 -5.439 1.00 0.00 C ATOM 384 O ALA A 55 -7.378 6.792 -5.832 1.00 0.00 O ATOM 385 CB ALA A 55 -7.900 10.102 -5.477 1.00 0.00 C ATOM 0 H ALA A 55 -6.605 10.203 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.573 8.394 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.440 9.822 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.501 10.802 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.956 10.574 -5.750 1.00 0.00 H new ATOM 386 N MET A 56 -5.546 8.096 -5.677 1.00 0.00 N ATOM 387 CA MET A 56 -4.683 7.183 -6.412 1.00 0.00 C ATOM 388 C MET A 56 -4.625 5.866 -5.644 1.00 0.00 C ATOM 389 O MET A 56 -4.729 4.790 -6.230 1.00 0.00 O ATOM 390 CB MET A 56 -3.281 7.784 -6.581 1.00 0.00 C ATOM 391 CG MET A 56 -3.294 9.127 -7.324 1.00 0.00 C ATOM 392 SD MET A 56 -3.988 9.082 -8.997 1.00 0.00 S ATOM 393 CE MET A 56 -3.783 10.816 -9.460 1.00 0.00 C ATOM 0 H MET A 56 -5.083 8.950 -5.367 1.00 0.00 H new ATOM 0 HA MET A 56 -5.082 7.010 -7.411 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.829 7.922 -5.599 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.652 7.079 -7.125 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.862 9.845 -6.732 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.272 9.500 -7.383 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.161 10.970 -10.471 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.338 11.446 -8.765 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.726 11.080 -9.424 1.00 0.00 H new ATOM 394 N MET A 57 -4.494 5.966 -4.319 1.00 0.00 N ATOM 395 CA MET A 57 -4.451 4.810 -3.451 1.00 0.00 C ATOM 396 C MET A 57 -5.723 3.985 -3.632 1.00 0.00 C ATOM 397 O MET A 57 -5.653 2.839 -4.062 1.00 0.00 O ATOM 398 CB MET A 57 -4.222 5.279 -2.004 1.00 0.00 C ATOM 399 CG MET A 57 -2.719 5.338 -1.702 1.00 0.00 C ATOM 400 SD MET A 57 -1.831 3.793 -2.038 1.00 0.00 S ATOM 401 CE MET A 57 -2.742 2.604 -1.022 1.00 0.00 C ATOM 0 H MET A 57 -4.415 6.856 -3.827 1.00 0.00 H new ATOM 0 HA MET A 57 -3.620 4.154 -3.709 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.670 6.262 -1.857 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.714 4.597 -1.310 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.272 6.137 -2.294 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.581 5.603 -0.654 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.512 1.591 -1.353 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.452 2.720 0.022 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.812 2.784 -1.123 1.00 0.00 H new ATOM 402 N THR A 58 -6.886 4.562 -3.338 1.00 0.00 N ATOM 403 CA THR A 58 -8.182 3.925 -3.512 1.00 0.00 C ATOM 404 C THR A 58 -8.265 3.298 -4.906 1.00 0.00 C ATOM 405 O THR A 58 -8.680 2.153 -5.036 1.00 0.00 O ATOM 406 CB THR A 58 -9.288 4.968 -3.289 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.152 5.520 -1.994 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.683 4.347 -3.406 1.00 0.00 C ATOM 0 H THR A 58 -6.951 5.508 -2.963 1.00 0.00 H new ATOM 0 HA THR A 58 -8.314 3.126 -2.782 1.00 0.00 H new ATOM 0 HB THR A 58 -9.183 5.735 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.476 6.229 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.438 5.116 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.809 3.921 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.796 3.562 -2.658 1.00 0.00 H new ATOM 409 N ASN A 59 -7.847 4.016 -5.952 1.00 0.00 N ATOM 410 CA ASN A 59 -7.873 3.492 -7.311 1.00 0.00 C ATOM 411 C ASN A 59 -6.979 2.252 -7.454 1.00 0.00 C ATOM 412 O ASN A 59 -7.353 1.297 -8.129 1.00 0.00 O ATOM 413 CB ASN A 59 -7.452 4.584 -8.298 1.00 0.00 C ATOM 414 CG ASN A 59 -7.453 4.053 -9.727 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.496 3.992 -10.369 1.00 0.00 O ATOM 416 ND2 ASN A 59 -6.290 3.662 -10.239 1.00 0.00 N ATOM 0 H ASN A 59 -7.485 4.967 -5.878 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.893 3.183 -7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.132 5.432 -8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.457 4.948 -8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.248 3.299 -11.191 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.439 3.725 -9.680 1.00 0.00 H new ATOM 417 N ALA A 60 -5.799 2.253 -6.830 1.00 0.00 N ATOM 418 CA ALA A 60 -4.868 1.133 -6.900 1.00 0.00 C ATOM 419 C ALA A 60 -5.344 -0.058 -6.056 1.00 0.00 C ATOM 420 O ALA A 60 -5.099 -1.211 -6.399 1.00 0.00 O ATOM 421 CB ALA A 60 -3.498 1.613 -6.405 1.00 0.00 C ATOM 0 H ALA A 60 -5.465 3.032 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.806 0.790 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.786 0.789 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.148 2.429 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.585 1.962 -5.376 1.00 0.00 H new ATOM 422 N VAL A 61 -6.023 0.229 -4.948 1.00 0.00 N ATOM 423 CA VAL A 61 -6.496 -0.733 -3.964 1.00 0.00 C ATOM 424 C VAL A 61 -7.850 -1.369 -4.303 1.00 0.00 C ATOM 425 O VAL A 61 -8.015 -2.569 -4.101 1.00 0.00 O ATOM 426 CB VAL A 61 -6.521 0.023 -2.621 1.00 0.00 C ATOM 427 CG1 VAL A 61 -7.179 -0.738 -1.479 1.00 0.00 C ATOM 428 CG2 VAL A 61 -5.099 0.341 -2.144 1.00 0.00 C ATOM 0 H VAL A 61 -6.269 1.188 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.827 -1.593 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.105 0.917 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.152 -0.131 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.215 -0.958 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.642 -1.671 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.144 0.875 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.543 -0.587 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.597 0.962 -2.886 1.00 0.00 H new ATOM 429 N LYS A 62 -8.822 -0.608 -4.814 1.00 0.00 N ATOM 430 CA LYS A 62 -10.169 -1.102 -5.104 1.00 0.00 C ATOM 431 C LYS A 62 -10.189 -2.363 -5.974 1.00 0.00 C ATOM 432 O LYS A 62 -11.110 -3.166 -5.855 1.00 0.00 O ATOM 433 CB LYS A 62 -11.015 0.009 -5.748 1.00 0.00 C ATOM 434 CG LYS A 62 -10.565 0.358 -7.172 1.00 0.00 C ATOM 435 CD LYS A 62 -11.318 1.580 -7.706 1.00 0.00 C ATOM 436 CE LYS A 62 -10.906 1.841 -9.160 1.00 0.00 C ATOM 437 NZ LYS A 62 -11.413 3.135 -9.646 1.00 0.00 N ATOM 0 H LYS A 62 -8.693 0.378 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.603 -1.390 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.059 -0.304 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.963 0.903 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.493 0.556 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.736 -0.494 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.393 1.412 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.097 2.453 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.819 1.823 -9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.285 1.040 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.074 2.975 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.907 3.626 -8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.617 3.718 -9.975 1.00 0.00 H new ATOM 438 N LYS A 63 -9.205 -2.538 -6.863 1.00 0.00 N ATOM 439 CA LYS A 63 -9.169 -3.708 -7.731 1.00 0.00 C ATOM 440 C LYS A 63 -8.790 -4.986 -6.967 1.00 0.00 C ATOM 441 O LYS A 63 -8.886 -6.074 -7.531 1.00 0.00 O ATOM 442 CB LYS A 63 -8.249 -3.439 -8.933 1.00 0.00 C ATOM 443 CG LYS A 63 -6.754 -3.344 -8.604 1.00 0.00 C ATOM 444 CD LYS A 63 -5.980 -2.995 -9.885 1.00 0.00 C ATOM 445 CE LYS A 63 -4.465 -3.164 -9.723 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.897 -2.224 -8.741 1.00 0.00 N ATOM 0 H LYS A 63 -8.431 -1.887 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.174 -3.887 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.394 -4.233 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.560 -2.508 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.584 -2.583 -7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.398 -4.289 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.328 -3.630 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.199 -1.965 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.247 -4.186 -9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.980 -3.014 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.238 -2.731 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.388 -1.466 -9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.664 -1.810 -8.173 1.00 0.00 H new ATOM 447 N TYR A 64 -8.330 -4.879 -5.715 1.00 0.00 N ATOM 448 CA TYR A 64 -7.966 -5.998 -4.884 1.00 0.00 C ATOM 449 C TYR A 64 -9.136 -6.340 -3.966 1.00 0.00 C ATOM 450 O TYR A 64 -10.270 -5.896 -4.126 1.00 0.00 O ATOM 451 CB TYR A 64 -6.674 -5.620 -4.137 1.00 0.00 C ATOM 452 CG TYR A 64 -5.488 -5.300 -5.032 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.268 -6.007 -6.231 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.547 -4.343 -4.615 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.155 -5.710 -7.033 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.414 -4.077 -5.401 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.224 -4.744 -6.625 1.00 0.00 C ATOM 458 OH TYR A 64 -2.150 -4.499 -7.433 1.00 0.00 O ATOM 0 H TYR A 64 -8.203 -3.979 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.762 -6.900 -5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.877 -4.756 -3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.400 -6.442 -3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.958 -6.780 -6.534 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.696 -3.811 -3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.015 -6.229 -7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.684 -3.356 -5.064 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.399 -4.664 -8.366 1.00 0.00 H new ATOM 459 N SER A 65 -8.846 -7.211 -3.017 1.00 0.00 N ATOM 460 CA SER A 65 -9.746 -7.736 -2.007 1.00 0.00 C ATOM 461 C SER A 65 -8.919 -8.140 -0.791 1.00 0.00 C ATOM 462 O SER A 65 -7.706 -8.304 -0.902 1.00 0.00 O ATOM 463 CB SER A 65 -10.527 -8.906 -2.605 1.00 0.00 C ATOM 464 OG SER A 65 -11.467 -8.413 -3.541 1.00 0.00 O ATOM 0 H SER A 65 -7.907 -7.598 -2.926 1.00 0.00 H new ATOM 0 HA SER A 65 -10.473 -6.991 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.844 -9.603 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.038 -9.458 -1.816 1.00 0.00 H new ATOM 0 HG SER A 65 -11.271 -7.473 -3.738 1.00 0.00 H new ATOM 465 N ASP A 66 -9.586 -8.277 0.358 1.00 0.00 N ATOM 466 CA ASP A 66 -9.021 -8.608 1.663 1.00 0.00 C ATOM 467 C ASP A 66 -7.753 -9.470 1.616 1.00 0.00 C ATOM 468 O ASP A 66 -6.740 -9.102 2.205 1.00 0.00 O ATOM 469 CB ASP A 66 -10.101 -9.313 2.490 1.00 0.00 C ATOM 470 CG ASP A 66 -9.565 -9.661 3.870 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.414 -8.713 4.671 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.282 -10.856 4.091 1.00 0.00 O ATOM 0 H ASP A 66 -10.597 -8.151 0.401 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.708 -7.668 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.975 -8.669 2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.426 -10.219 1.979 1.00 0.00 H new ATOM 473 N GLU A 67 -7.807 -10.606 0.916 1.00 0.00 N ATOM 474 CA GLU A 67 -6.674 -11.522 0.825 1.00 0.00 C ATOM 475 C GLU A 67 -5.474 -10.820 0.178 1.00 0.00 C ATOM 476 O GLU A 67 -4.366 -10.838 0.713 1.00 0.00 O ATOM 477 CB GLU A 67 -7.117 -12.786 0.068 1.00 0.00 C ATOM 478 CG GLU A 67 -6.087 -13.927 0.128 1.00 0.00 C ATOM 479 CD GLU A 67 -5.101 -13.895 -1.034 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.489 -14.349 -2.131 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.967 -13.406 -0.839 1.00 0.00 O ATOM 0 H GLU A 67 -8.632 -10.913 0.401 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.346 -11.829 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.062 -13.137 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.303 -12.529 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.537 -13.865 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.610 -14.883 0.128 1.00 0.00 H new ATOM 482 N GLU A 68 -5.692 -10.194 -0.980 1.00 0.00 N ATOM 483 CA GLU A 68 -4.664 -9.460 -1.695 1.00 0.00 C ATOM 484 C GLU A 68 -4.130 -8.351 -0.784 1.00 0.00 C ATOM 485 O GLU A 68 -2.920 -8.181 -0.701 1.00 0.00 O ATOM 486 CB GLU A 68 -5.243 -8.877 -2.991 1.00 0.00 C ATOM 487 CG GLU A 68 -5.480 -9.877 -4.130 1.00 0.00 C ATOM 488 CD GLU A 68 -6.383 -11.041 -3.739 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.457 -10.766 -3.160 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.956 -12.187 -4.004 1.00 0.00 O ATOM 0 H GLU A 68 -6.599 -10.186 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.844 -10.126 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.191 -8.392 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.568 -8.100 -3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.923 -9.353 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.519 -10.269 -4.464 1.00 0.00 H new ATOM 491 N LEU A 69 -5.009 -7.606 -0.102 1.00 0.00 N ATOM 492 CA LEU A 69 -4.582 -6.540 0.806 1.00 0.00 C ATOM 493 C LEU A 69 -3.665 -7.095 1.897 1.00 0.00 C ATOM 494 O LEU A 69 -2.590 -6.553 2.150 1.00 0.00 O ATOM 495 CB LEU A 69 -5.784 -5.855 1.473 1.00 0.00 C ATOM 496 CG LEU A 69 -6.803 -5.267 0.493 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.856 -4.474 1.272 1.00 0.00 C ATOM 498 CD2 LEU A 69 -6.124 -4.383 -0.552 1.00 0.00 C ATOM 0 H LEU A 69 -6.020 -7.724 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.042 -5.807 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.289 -6.578 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.419 -5.057 2.120 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.288 -6.085 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.583 -4.054 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.365 -5.136 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.371 -3.667 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.875 -3.981 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.609 -3.561 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.403 -4.975 -1.116 1.00 0.00 H new ATOM 499 N LYS A 70 -4.096 -8.170 2.555 1.00 0.00 N ATOM 500 CA LYS A 70 -3.337 -8.799 3.620 1.00 0.00 C ATOM 501 C LYS A 70 -1.976 -9.263 3.102 1.00 0.00 C ATOM 502 O LYS A 70 -0.951 -9.025 3.744 1.00 0.00 O ATOM 503 CB LYS A 70 -4.153 -9.974 4.177 1.00 0.00 C ATOM 504 CG LYS A 70 -3.551 -10.519 5.476 1.00 0.00 C ATOM 505 CD LYS A 70 -4.454 -11.625 6.035 1.00 0.00 C ATOM 506 CE LYS A 70 -3.862 -12.252 7.302 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.756 -11.276 8.400 1.00 0.00 N ATOM 0 H LYS A 70 -4.987 -8.627 2.359 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.152 -8.083 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.178 -9.651 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.197 -10.771 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.551 -10.911 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.447 -9.716 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.438 -11.213 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.595 -12.397 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.485 -13.088 7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.875 -12.657 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.146 -11.689 9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.757 -11.031 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.290 -10.418 8.154 1.00 0.00 H new ATOM 508 N ALA A 71 -1.962 -9.913 1.933 1.00 0.00 N ATOM 509 CA ALA A 71 -0.738 -10.419 1.346 1.00 0.00 C ATOM 510 C ALA A 71 0.170 -9.247 1.016 1.00 0.00 C ATOM 511 O ALA A 71 1.371 -9.299 1.282 1.00 0.00 O ATOM 512 CB ALA A 71 -1.061 -11.237 0.097 1.00 0.00 C ATOM 0 H ALA A 71 -2.798 -10.097 1.378 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.225 -11.074 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.136 -11.615 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.704 -12.075 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.574 -10.606 -0.629 1.00 0.00 H new ATOM 513 N LEU A 72 -0.401 -8.183 0.443 1.00 0.00 N ATOM 514 CA LEU A 72 0.372 -7.011 0.123 1.00 0.00 C ATOM 515 C LEU A 72 1.014 -6.487 1.388 1.00 0.00 C ATOM 516 O LEU A 72 2.233 -6.460 1.459 1.00 0.00 O ATOM 517 CB LEU A 72 -0.556 -5.961 -0.469 1.00 0.00 C ATOM 518 CG LEU A 72 -0.559 -6.128 -1.978 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.605 -5.210 -2.554 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.783 -5.677 -2.525 1.00 0.00 C ATOM 0 H LEU A 72 -1.389 -8.123 0.198 1.00 0.00 H new ATOM 0 HA LEU A 72 1.152 -7.252 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.564 -6.077 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.220 -4.960 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.755 -7.169 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.623 -5.315 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.582 -5.471 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.368 -4.179 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.792 -5.793 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.946 -4.630 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.576 -6.284 -2.089 1.00 0.00 H new ATOM 521 N ALA A 73 0.216 -6.111 2.390 1.00 0.00 N ATOM 522 CA ALA A 73 0.745 -5.551 3.621 1.00 0.00 C ATOM 523 C ALA A 73 1.842 -6.439 4.205 1.00 0.00 C ATOM 524 O ALA A 73 2.877 -5.929 4.624 1.00 0.00 O ATOM 525 CB ALA A 73 -0.380 -5.405 4.644 1.00 0.00 C ATOM 0 H ALA A 73 -0.801 -6.187 2.366 1.00 0.00 H new ATOM 0 HA ALA A 73 1.173 -4.575 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.020 -4.985 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.149 -4.743 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.814 -6.383 4.849 1.00 0.00 H new ATOM 526 N ASP A 74 1.610 -7.756 4.271 1.00 0.00 N ATOM 527 CA ASP A 74 2.616 -8.697 4.744 1.00 0.00 C ATOM 528 C ASP A 74 3.917 -8.469 3.963 1.00 0.00 C ATOM 529 O ASP A 74 4.980 -8.339 4.567 1.00 0.00 O ATOM 530 CB ASP A 74 2.108 -10.132 4.577 1.00 0.00 C ATOM 531 CG ASP A 74 3.160 -11.135 5.029 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.236 -11.361 6.256 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.868 -11.655 4.140 1.00 0.00 O ATOM 0 H ASP A 74 0.727 -8.189 4.000 1.00 0.00 H new ATOM 0 HA ASP A 74 2.812 -8.537 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.196 -10.269 5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.852 -10.313 3.533 1.00 0.00 H new ATOM 534 N TYR A 75 3.832 -8.373 2.630 1.00 0.00 N ATOM 535 CA TYR A 75 5.012 -8.101 1.816 1.00 0.00 C ATOM 536 C TYR A 75 5.576 -6.728 2.197 1.00 0.00 C ATOM 537 O TYR A 75 6.762 -6.646 2.514 1.00 0.00 O ATOM 538 CB TYR A 75 4.739 -8.187 0.311 1.00 0.00 C ATOM 539 CG TYR A 75 5.982 -7.855 -0.499 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.076 -8.741 -0.472 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.128 -6.594 -1.111 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.300 -8.376 -1.058 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.347 -6.246 -1.725 1.00 0.00 C ATOM 544 CZ TYR A 75 8.445 -7.118 -1.663 1.00 0.00 C ATOM 545 OH TYR A 75 9.644 -6.776 -2.217 1.00 0.00 O ATOM 0 H TYR A 75 2.966 -8.479 2.102 1.00 0.00 H new ATOM 0 HA TYR A 75 5.748 -8.878 2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.396 -9.190 0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.936 -7.500 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.974 -9.706 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.305 -5.894 -1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.131 -9.065 -1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.437 -5.304 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 75 9.817 -5.824 -2.061 1.00 0.00 H new ATOM 546 N MET A 76 4.769 -5.651 2.174 1.00 0.00 N ATOM 547 CA MET A 76 5.273 -4.332 2.565 1.00 0.00 C ATOM 548 C MET A 76 6.019 -4.365 3.911 1.00 0.00 C ATOM 549 O MET A 76 7.023 -3.681 4.100 1.00 0.00 O ATOM 550 CB MET A 76 4.156 -3.292 2.650 1.00 0.00 C ATOM 551 CG MET A 76 3.731 -2.779 1.273 1.00 0.00 C ATOM 552 SD MET A 76 2.366 -3.655 0.497 1.00 0.00 S ATOM 553 CE MET A 76 1.033 -2.492 0.811 1.00 0.00 C ATOM 0 H MET A 76 3.788 -5.670 1.895 1.00 0.00 H new ATOM 0 HA MET A 76 5.972 -4.046 1.779 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.294 -3.729 3.154 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.490 -2.453 3.260 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.457 -1.728 1.367 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.593 -2.825 0.607 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.155 -2.780 0.232 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.786 -2.500 1.873 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.348 -1.490 0.519 1.00 0.00 H new ATOM 554 N SER A 77 5.530 -5.157 4.861 1.00 0.00 N ATOM 555 CA SER A 77 6.140 -5.279 6.175 1.00 0.00 C ATOM 556 C SER A 77 7.586 -5.791 6.098 1.00 0.00 C ATOM 557 O SER A 77 8.390 -5.475 6.972 1.00 0.00 O ATOM 558 CB SER A 77 5.293 -6.221 7.035 1.00 0.00 C ATOM 559 OG SER A 77 5.562 -5.989 8.402 1.00 0.00 O ATOM 0 H SER A 77 4.697 -5.733 4.738 1.00 0.00 H new ATOM 0 HA SER A 77 6.176 -4.287 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.234 -6.062 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.514 -7.258 6.782 1.00 0.00 H new ATOM 0 HG SER A 77 5.166 -5.134 8.673 1.00 0.00 H new ATOM 560 N LYS A 78 7.920 -6.570 5.062 1.00 0.00 N ATOM 561 CA LYS A 78 9.243 -7.165 4.884 1.00 0.00 C ATOM 562 C LYS A 78 10.068 -6.419 3.817 1.00 0.00 C ATOM 563 O LYS A 78 11.020 -6.981 3.281 1.00 0.00 O ATOM 564 CB LYS A 78 9.038 -8.670 4.591 1.00 0.00 C ATOM 565 CG LYS A 78 10.290 -9.543 4.407 1.00 0.00 C ATOM 566 CD LYS A 78 11.328 -9.341 5.522 1.00 0.00 C ATOM 567 CE LYS A 78 12.564 -10.225 5.318 1.00 0.00 C ATOM 568 NZ LYS A 78 12.238 -11.660 5.384 1.00 0.00 N ATOM 0 H LYS A 78 7.267 -6.806 4.315 1.00 0.00 H new ATOM 0 HA LYS A 78 9.842 -7.068 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.452 -9.093 5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.434 -8.756 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.995 -10.592 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.748 -9.314 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.631 -8.294 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.874 -9.568 6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.014 -10.000 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.308 -9.988 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.117 -12.215 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.682 -11.851 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.685 -11.929 4.546 1.00 0.00 H new ATOM 569 N LEU A 79 9.724 -5.170 3.486 1.00 0.00 N ATOM 570 CA LEU A 79 10.506 -4.402 2.520 1.00 0.00 C ATOM 571 C LEU A 79 11.885 -4.059 3.096 1.00 0.00 C ATOM 572 O LEU A 79 12.876 -4.188 2.346 1.00 0.00 O ATOM 573 CB LEU A 79 9.792 -3.090 2.200 1.00 0.00 C ATOM 574 CG LEU A 79 8.473 -3.246 1.451 1.00 0.00 C ATOM 575 CD1 LEU A 79 7.676 -1.936 1.408 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.638 -3.586 -0.010 1.00 0.00 C ATOM 577 OXT LEU A 79 11.921 -3.592 4.257 1.00 0.00 O ATOM 0 H LEU A 79 8.918 -4.676 3.869 1.00 0.00 H new ATOM 0 HA LEU A 79 10.618 -5.007 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.603 -2.558 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.459 -2.465 1.606 1.00 0.00 H new ATOM 0 HG LEU A 79 7.976 -4.044 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.744 -2.095 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.453 -1.612 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.264 -1.169 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.657 -3.681 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.200 -2.795 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.177 -4.529 -0.106 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.519 3.823 -2.048 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.227 5.062 1.076 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.063 0.679 -0.790 1.00 7.91 C HETATM 582 CHC HEM A 80 0.248 2.602 -5.234 1.00 6.02 C HETATM 583 CHD HEM A 80 1.005 7.004 -3.266 1.00 10.53 C HETATM 584 NA HEM A 80 0.333 3.018 -0.231 1.00 6.22 N HETATM 585 C1A HEM A 80 0.268 3.696 0.956 1.00 6.23 C HETATM 586 C2A HEM A 80 0.272 2.797 2.067 1.00 8.27 C HETATM 587 C3A HEM A 80 0.099 1.562 1.553 1.00 7.07 C HETATM 588 C4A HEM A 80 0.127 1.703 0.117 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.044 0.280 2.301 1.00 7.00 C HETATM 590 CAA HEM A 80 0.482 3.219 3.492 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.744 3.783 4.207 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.325 4.577 5.433 1.00 22.27 C HETATM 593 O1A HEM A 80 0.671 4.205 6.050 1.00 18.65 O HETATM 594 O2A HEM A 80 -0.979 5.571 5.742 1.00 17.21 O HETATM 595 NB HEM A 80 0.116 2.034 -2.844 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.148 0.858 -2.165 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.513 -0.175 -3.087 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.218 0.294 -4.326 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.059 1.707 -4.184 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.001 -1.538 -2.682 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.118 -0.497 -5.603 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.356 -1.288 -6.015 1.00 6.48 C HETATM 603 NC HEM A 80 0.661 4.630 -3.879 1.00 3.58 N HETATM 604 C1C HEM A 80 0.510 3.964 -5.085 1.00 4.45 C HETATM 605 C2C HEM A 80 0.714 4.876 -6.182 1.00 5.77 C HETATM 606 C3C HEM A 80 1.068 6.078 -5.645 1.00 8.44 C HETATM 607 C4C HEM A 80 0.920 5.956 -4.199 1.00 11.13 C HETATM 608 CMC HEM A 80 0.618 4.477 -7.633 1.00 8.62 C HETATM 609 CAC HEM A 80 1.550 7.305 -6.386 1.00 3.39 C HETATM 610 CBC HEM A 80 0.415 8.101 -7.039 1.00 10.94 C HETATM 611 ND HEM A 80 0.636 5.655 -1.257 1.00 4.28 N HETATM 612 C1D HEM A 80 0.855 6.865 -1.881 1.00 5.02 C HETATM 613 C2D HEM A 80 0.920 7.929 -0.871 1.00 3.97 C HETATM 614 C3D HEM A 80 0.734 7.332 0.344 1.00 5.11 C HETATM 615 C4D HEM A 80 0.498 5.957 0.074 1.00 9.05 C HETATM 616 CMD HEM A 80 1.173 9.388 -1.144 1.00 5.28 C HETATM 617 CAD HEM A 80 0.749 7.879 1.766 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.588 8.469 2.206 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.989 9.623 1.308 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.438 10.702 1.488 1.00 8.25 O HETATM 621 O2D HEM A 80 -1.859 9.442 0.458 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.630 -0.423 1.709 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.550 0.466 3.249 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.943 -0.141 2.493 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.558 -1.814 -1.725 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.713 -2.267 -3.439 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -2.087 -1.523 -2.588 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.283 5.330 -8.224 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 -0.096 3.660 -7.739 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.597 4.152 -7.987 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.799 9.489 -2.031 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.680 9.835 -0.289 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.224 9.897 -1.310 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.345 -1.880 -6.930 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.252 -1.261 -5.394 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.639 9.007 -7.602 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.616 7.761 -6.940 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.407 2.970 4.502 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.307 4.422 3.527 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.271 3.971 3.516 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.844 2.359 4.056 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.517 8.813 3.238 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.357 7.697 2.180 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.519 8.647 1.843 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.027 7.079 2.452 1.00 9.04 H new HETATM 0 HHA HEM A 80 -0.041 5.466 2.041 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.151 -0.326 -0.405 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.187 2.212 -6.239 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.202 7.995 -3.648 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.792 -0.504 -6.203 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.599 7.594 -6.449 1.00 3.39 H new