USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=28 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 77 SER OG : rot 65:sc= 1.62 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -169:sc= 0.536 (180deg=0) USER MOD Set 2.1: A 9 SER OG : rot -151:sc= 0.636 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 147:sc= 0.633 (180deg=-0.588) USER MOD Set 2.3: A 64 TYR OH : rot -130:sc= 0.812 USER MOD Set 3.1: A 41 MET CE :methyl -166:sc= -0.41 (180deg=-0.582) USER MOD Set 3.2: A 76 MET CE :methyl 168:sc= -0.76 (180deg=-0.991) USER MOD Set 3.3: A 80 HEM CMA :methyl -30:sc= -1.49 (180deg=-5.17!) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -174:sc= 0.541 (180deg=0.522) USER MOD Set 4.2: A 40 LYS NZ :NH3+ 159:sc= 0.742 (180deg=0.549) USER MOD Single : A 1 ALA N :NH3+ -143:sc= 1.93 (180deg=0.0494) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.398 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.171 USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 0.251 (180deg=-0.11) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 73:sc= 0.952 USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.776) USER MOD Single : A 32 GLN : amide:sc= 0.674 K(o=0.67,f=-2.6) USER MOD Single : A 38 TYR OH : rot -18:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0415) USER MOD Single : A 44 TYR OH : rot 37:sc= 1.26 USER MOD Single : A 48 SER OG : rot -47:sc= 0.783 USER MOD Single : A 49 TYR OH : rot 163:sc= 1.23 USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0.248 (180deg=0.0605) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 163:sc= -2.35 (180deg=-3.26) USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 59 ASN : amide:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 22:sc= 0.661 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0557) USER MOD Single : A 75 TYR OH : rot -163:sc= 1.18 USER MOD Single : A 80 HEM CMB :methyl 150:sc= -1.69 (180deg=-1.69) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.503 (180deg=-0.503) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.233 (180deg=-2.84!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.073 -13.157 -3.756 1.00 0.00 N ATOM 2 CA ALA A 1 -1.917 -13.667 -4.510 1.00 0.00 C ATOM 3 C ALA A 1 -0.650 -13.187 -3.804 1.00 0.00 C ATOM 4 O ALA A 1 -0.782 -12.639 -2.713 1.00 0.00 O ATOM 5 CB ALA A 1 -1.977 -13.209 -5.971 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.830 -13.871 -3.756 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.787 -12.955 -2.777 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.421 -12.284 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.922 -14.757 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.113 -13.597 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.891 -13.584 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.970 -12.120 -6.011 1.00 0.00 H new ATOM 6 N ASP A 2 0.537 -13.390 -4.383 1.00 0.00 N ATOM 7 CA ASP A 2 1.794 -12.986 -3.763 1.00 0.00 C ATOM 8 C ASP A 2 1.866 -11.472 -3.537 1.00 0.00 C ATOM 9 O ASP A 2 1.670 -10.684 -4.462 1.00 0.00 O ATOM 10 CB ASP A 2 2.970 -13.452 -4.626 1.00 0.00 C ATOM 11 CG ASP A 2 4.273 -12.836 -4.131 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.511 -12.892 -2.905 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.973 -12.255 -4.983 1.00 0.00 O ATOM 0 H ASP A 2 0.649 -13.838 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 2 1.849 -13.460 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.041 -14.539 -4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.800 -13.171 -5.665 1.00 0.00 H new ATOM 14 N GLY A 3 2.192 -11.080 -2.304 1.00 0.00 N ATOM 15 CA GLY A 3 2.326 -9.693 -1.907 1.00 0.00 C ATOM 16 C GLY A 3 3.362 -8.980 -2.768 1.00 0.00 C ATOM 17 O GLY A 3 3.054 -7.962 -3.379 1.00 0.00 O ATOM 0 H GLY A 3 2.372 -11.737 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.363 -9.190 -1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.618 -9.637 -0.858 1.00 0.00 H new ATOM 18 N ALA A 4 4.584 -9.517 -2.845 1.00 0.00 N ATOM 19 CA ALA A 4 5.639 -8.899 -3.641 1.00 0.00 C ATOM 20 C ALA A 4 5.166 -8.649 -5.075 1.00 0.00 C ATOM 21 O ALA A 4 5.373 -7.560 -5.608 1.00 0.00 O ATOM 22 CB ALA A 4 6.897 -9.773 -3.625 1.00 0.00 C ATOM 0 H ALA A 4 4.862 -10.374 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 4 5.884 -7.934 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.676 -9.300 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.247 -9.889 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.665 -10.753 -4.042 1.00 0.00 H new ATOM 23 N ALA A 5 4.509 -9.638 -5.691 1.00 0.00 N ATOM 24 CA ALA A 5 4.015 -9.508 -7.050 1.00 0.00 C ATOM 25 C ALA A 5 3.006 -8.366 -7.141 1.00 0.00 C ATOM 26 O ALA A 5 3.137 -7.507 -8.010 1.00 0.00 O ATOM 27 CB ALA A 5 3.388 -10.825 -7.514 1.00 0.00 C ATOM 0 H ALA A 5 4.310 -10.540 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 5 4.853 -9.276 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.022 -10.714 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.137 -11.616 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.558 -11.084 -6.857 1.00 0.00 H new ATOM 28 N LEU A 6 2.006 -8.330 -6.255 1.00 0.00 N ATOM 29 CA LEU A 6 1.007 -7.293 -6.268 1.00 0.00 C ATOM 30 C LEU A 6 1.674 -5.925 -6.124 1.00 0.00 C ATOM 31 O LEU A 6 1.382 -5.003 -6.890 1.00 0.00 O ATOM 32 CB LEU A 6 0.051 -7.586 -5.113 1.00 0.00 C ATOM 33 CG LEU A 6 -0.818 -8.836 -5.331 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.395 -9.294 -3.987 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.961 -8.561 -6.310 1.00 0.00 C ATOM 0 H LEU A 6 1.879 -9.023 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 6 0.455 -7.274 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.629 -7.712 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.599 -6.724 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.189 -9.617 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.012 -10.180 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.580 -9.532 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.004 -8.496 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.554 -9.466 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.594 -7.766 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.550 -8.255 -7.272 1.00 0.00 H new ATOM 36 N TYR A 7 2.605 -5.800 -5.170 1.00 0.00 N ATOM 37 CA TYR A 7 3.270 -4.533 -4.915 1.00 0.00 C ATOM 38 C TYR A 7 4.049 -3.978 -6.117 1.00 0.00 C ATOM 39 O TYR A 7 4.364 -2.787 -6.126 1.00 0.00 O ATOM 40 CB TYR A 7 4.145 -4.651 -3.659 1.00 0.00 C ATOM 41 CG TYR A 7 4.327 -3.351 -2.888 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.209 -2.564 -2.540 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.579 -3.034 -2.336 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.364 -1.391 -1.784 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.722 -1.886 -1.539 1.00 0.00 C ATOM 46 CZ TYR A 7 4.648 -0.997 -1.383 1.00 0.00 C ATOM 47 OH TYR A 7 4.843 0.211 -0.786 1.00 0.00 O ATOM 0 H TYR A 7 2.909 -6.564 -4.567 1.00 0.00 H new ATOM 0 HA TYR A 7 2.489 -3.793 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.704 -5.394 -2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.126 -5.026 -3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.223 -2.867 -2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.430 -3.672 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.502 -0.798 -1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.662 -1.687 -1.045 1.00 0.00 H new ATOM 0 HH TYR A 7 5.793 0.321 -0.573 1.00 0.00 H new ATOM 48 N LYS A 8 4.340 -4.782 -7.149 1.00 0.00 N ATOM 49 CA LYS A 8 5.053 -4.290 -8.332 1.00 0.00 C ATOM 50 C LYS A 8 4.363 -3.042 -8.908 1.00 0.00 C ATOM 51 O LYS A 8 5.025 -2.082 -9.296 1.00 0.00 O ATOM 52 CB LYS A 8 5.132 -5.381 -9.407 1.00 0.00 C ATOM 53 CG LYS A 8 6.057 -6.528 -8.978 1.00 0.00 C ATOM 54 CD LYS A 8 6.002 -7.712 -9.954 1.00 0.00 C ATOM 55 CE LYS A 8 6.520 -7.345 -11.349 1.00 0.00 C ATOM 56 NZ LYS A 8 6.582 -8.529 -12.224 1.00 0.00 N ATOM 0 H LYS A 8 4.093 -5.771 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 8 6.064 -4.021 -8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.134 -5.772 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.495 -4.949 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.081 -6.161 -8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.775 -6.867 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.594 -8.536 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.974 -8.067 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.869 -6.594 -11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.511 -6.899 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.936 -8.250 -13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.223 -9.235 -11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.631 -8.939 -12.321 1.00 0.00 H new ATOM 57 N SER A 9 3.027 -3.042 -8.937 1.00 0.00 N ATOM 58 CA SER A 9 2.235 -1.923 -9.449 1.00 0.00 C ATOM 59 C SER A 9 2.415 -0.635 -8.635 1.00 0.00 C ATOM 60 O SER A 9 2.170 0.461 -9.131 1.00 0.00 O ATOM 61 CB SER A 9 0.748 -2.310 -9.428 1.00 0.00 C ATOM 62 OG SER A 9 0.336 -2.834 -8.175 1.00 0.00 O ATOM 0 H SER A 9 2.463 -3.824 -8.604 1.00 0.00 H new ATOM 0 HA SER A 9 2.585 -1.723 -10.462 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.145 -1.434 -9.667 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.558 -3.049 -10.206 1.00 0.00 H new ATOM 0 HG SER A 9 -0.401 -3.465 -8.311 1.00 0.00 H new ATOM 63 N CYS A 10 2.825 -0.779 -7.379 1.00 0.00 N ATOM 64 CA CYS A 10 2.978 0.264 -6.384 1.00 0.00 C ATOM 65 C CYS A 10 4.402 0.794 -6.387 1.00 0.00 C ATOM 66 O CYS A 10 4.632 1.995 -6.219 1.00 0.00 O ATOM 67 CB CYS A 10 2.610 -0.372 -5.038 1.00 0.00 C ATOM 68 SG CYS A 10 1.204 -1.537 -5.110 1.00 0.00 S ATOM 0 H CYS A 10 3.076 -1.696 -7.008 1.00 0.00 H new ATOM 0 HA CYS A 10 2.334 1.119 -6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.482 -0.898 -4.649 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.373 0.421 -4.329 1.00 0.00 H new ATOM 69 N ILE A 11 5.348 -0.122 -6.615 1.00 0.00 N ATOM 70 CA ILE A 11 6.779 0.132 -6.686 1.00 0.00 C ATOM 71 C ILE A 11 7.084 1.355 -7.564 1.00 0.00 C ATOM 72 O ILE A 11 8.069 2.044 -7.323 1.00 0.00 O ATOM 73 CB ILE A 11 7.491 -1.171 -7.131 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.456 -1.674 -6.046 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.278 -1.022 -8.442 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.750 -2.089 -4.747 1.00 0.00 C ATOM 0 H ILE A 11 5.120 -1.105 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 11 7.173 0.397 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 11 6.689 -1.890 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.016 -2.525 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.180 -0.891 -5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.750 -1.972 -8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.598 -0.732 -9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.045 -0.257 -8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.490 -2.434 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.212 -1.234 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.046 -2.894 -4.957 1.00 0.00 H new ATOM 77 N GLY A 12 6.252 1.650 -8.569 1.00 0.00 N ATOM 78 CA GLY A 12 6.437 2.821 -9.413 1.00 0.00 C ATOM 79 C GLY A 12 6.514 4.107 -8.577 1.00 0.00 C ATOM 80 O GLY A 12 7.445 4.894 -8.734 1.00 0.00 O ATOM 0 H GLY A 12 5.439 1.084 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.350 2.710 -9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.612 2.895 -10.122 1.00 0.00 H new ATOM 81 N CYS A 13 5.545 4.321 -7.676 1.00 0.00 N ATOM 82 CA CYS A 13 5.521 5.512 -6.825 1.00 0.00 C ATOM 83 C CYS A 13 6.343 5.272 -5.564 1.00 0.00 C ATOM 84 O CYS A 13 7.111 6.134 -5.148 1.00 0.00 O ATOM 85 CB CYS A 13 4.097 5.882 -6.385 1.00 0.00 C ATOM 86 SG CYS A 13 3.065 6.801 -7.555 1.00 0.00 S ATOM 0 H CYS A 13 4.767 3.681 -7.520 1.00 0.00 H new ATOM 0 HA CYS A 13 5.936 6.326 -7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.575 4.960 -6.130 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.171 6.470 -5.470 1.00 0.00 H new ATOM 87 N HIS A 14 6.158 4.106 -4.944 1.00 0.00 N ATOM 88 CA HIS A 14 6.812 3.745 -3.693 1.00 0.00 C ATOM 89 C HIS A 14 8.318 3.512 -3.830 1.00 0.00 C ATOM 90 O HIS A 14 9.048 3.612 -2.847 1.00 0.00 O ATOM 91 CB HIS A 14 6.073 2.526 -3.127 1.00 0.00 C ATOM 92 CG HIS A 14 4.730 2.932 -2.582 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.608 3.513 -1.331 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.466 2.970 -3.123 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.347 3.955 -1.221 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.574 3.553 -2.230 1.00 0.00 N ATOM 0 H HIS A 14 5.541 3.378 -5.304 1.00 0.00 H new ATOM 0 HA HIS A 14 6.748 4.583 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.944 1.776 -3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.668 2.066 -2.338 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.340 3.590 -0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.204 2.599 -4.103 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.996 4.569 -0.405 1.00 0.00 H new ATOM 97 N GLY A 15 8.813 3.235 -5.033 1.00 0.00 N ATOM 98 CA GLY A 15 10.222 2.973 -5.257 1.00 0.00 C ATOM 99 C GLY A 15 10.548 1.524 -4.920 1.00 0.00 C ATOM 100 O GLY A 15 9.800 0.882 -4.179 1.00 0.00 O ATOM 0 H GLY A 15 8.244 3.187 -5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.477 3.178 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.826 3.641 -4.643 1.00 0.00 H new ATOM 101 N ALA A 16 11.678 1.053 -5.472 1.00 0.00 N ATOM 102 CA ALA A 16 12.270 -0.285 -5.374 1.00 0.00 C ATOM 103 C ALA A 16 11.680 -1.137 -4.253 1.00 0.00 C ATOM 104 O ALA A 16 11.188 -2.232 -4.510 1.00 0.00 O ATOM 105 CB ALA A 16 13.786 -0.146 -5.195 1.00 0.00 C ATOM 0 H ALA A 16 12.254 1.661 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 16 12.035 -0.810 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.236 -1.136 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.207 0.381 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.995 0.416 -4.285 1.00 0.00 H new ATOM 106 N ASP A 17 11.755 -0.637 -3.018 1.00 0.00 N ATOM 107 CA ASP A 17 11.203 -1.270 -1.850 1.00 0.00 C ATOM 108 C ASP A 17 10.744 -0.181 -0.884 1.00 0.00 C ATOM 109 O ASP A 17 11.324 -0.008 0.183 1.00 0.00 O ATOM 110 CB ASP A 17 12.210 -2.248 -1.223 1.00 0.00 C ATOM 111 CG ASP A 17 12.171 -3.613 -1.903 1.00 0.00 C ATOM 112 OD1 ASP A 17 11.109 -4.270 -1.801 1.00 0.00 O ATOM 113 OD2 ASP A 17 13.204 -3.979 -2.504 1.00 0.00 O ATOM 0 H ASP A 17 12.219 0.248 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 17 10.338 -1.876 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.215 -1.833 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.992 -2.364 -0.161 1.00 0.00 H new ATOM 114 N GLY A 18 9.727 0.590 -1.286 1.00 0.00 N ATOM 115 CA GLY A 18 9.157 1.657 -0.463 1.00 0.00 C ATOM 116 C GLY A 18 10.171 2.740 -0.110 1.00 0.00 C ATOM 117 O GLY A 18 9.997 3.460 0.874 1.00 0.00 O ATOM 0 H GLY A 18 9.276 0.489 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.319 2.110 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.758 1.227 0.456 1.00 0.00 H new ATOM 118 N SER A 19 11.223 2.856 -0.917 1.00 0.00 N ATOM 119 CA SER A 19 12.315 3.779 -0.737 1.00 0.00 C ATOM 120 C SER A 19 11.907 5.227 -1.007 1.00 0.00 C ATOM 121 O SER A 19 12.471 6.132 -0.396 1.00 0.00 O ATOM 122 CB SER A 19 13.437 3.312 -1.672 1.00 0.00 C ATOM 123 OG SER A 19 12.896 2.712 -2.845 1.00 0.00 O ATOM 0 H SER A 19 11.332 2.277 -1.750 1.00 0.00 H new ATOM 0 HA SER A 19 12.649 3.776 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.065 4.160 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.076 2.597 -1.153 1.00 0.00 H new ATOM 0 HG SER A 19 13.626 2.422 -3.431 1.00 0.00 H new ATOM 124 N LYS A 20 10.972 5.465 -1.931 1.00 0.00 N ATOM 125 CA LYS A 20 10.524 6.812 -2.243 1.00 0.00 C ATOM 126 C LYS A 20 9.273 7.148 -1.439 1.00 0.00 C ATOM 127 O LYS A 20 8.353 6.337 -1.319 1.00 0.00 O ATOM 128 CB LYS A 20 10.208 6.964 -3.738 1.00 0.00 C ATOM 129 CG LYS A 20 11.430 6.771 -4.644 1.00 0.00 C ATOM 130 CD LYS A 20 11.257 7.465 -6.007 1.00 0.00 C ATOM 131 CE LYS A 20 9.925 7.183 -6.723 1.00 0.00 C ATOM 132 NZ LYS A 20 9.702 5.748 -6.960 1.00 0.00 N ATOM 0 H LYS A 20 10.513 4.734 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 20 11.332 7.496 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.442 6.239 -4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.788 7.954 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.315 7.166 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.601 5.706 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.353 8.541 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.074 7.157 -6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.105 7.580 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.910 7.711 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.076 5.625 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.613 5.281 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.259 5.322 -6.121 1.00 0.00 H new ATOM 133 N ALA A 21 9.237 8.366 -0.894 1.00 0.00 N ATOM 134 CA ALA A 21 8.078 8.878 -0.186 1.00 0.00 C ATOM 135 C ALA A 21 7.060 9.157 -1.290 1.00 0.00 C ATOM 136 O ALA A 21 7.020 10.253 -1.840 1.00 0.00 O ATOM 137 CB ALA A 21 8.465 10.132 0.604 1.00 0.00 C ATOM 0 H ALA A 21 10.017 9.022 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 21 7.669 8.189 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.592 10.512 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.245 9.883 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.834 10.895 -0.082 1.00 0.00 H new ATOM 138 N ALA A 22 6.292 8.129 -1.653 1.00 0.00 N ATOM 139 CA ALA A 22 5.337 8.136 -2.746 1.00 0.00 C ATOM 140 C ALA A 22 4.591 9.457 -2.960 1.00 0.00 C ATOM 141 O ALA A 22 4.039 10.024 -2.019 1.00 0.00 O ATOM 142 CB ALA A 22 4.367 6.965 -2.584 1.00 0.00 C ATOM 0 H ALA A 22 6.325 7.232 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 22 5.924 8.020 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.650 6.970 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.923 6.028 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.835 7.061 -1.637 1.00 0.00 H new ATOM 143 N MET A 23 4.592 9.888 -4.231 1.00 0.00 N ATOM 144 CA MET A 23 3.983 11.063 -4.848 1.00 0.00 C ATOM 145 C MET A 23 3.753 12.249 -3.904 1.00 0.00 C ATOM 146 O MET A 23 4.507 13.217 -3.943 1.00 0.00 O ATOM 147 CB MET A 23 2.699 10.592 -5.551 1.00 0.00 C ATOM 148 CG MET A 23 1.878 11.703 -6.210 1.00 0.00 C ATOM 149 SD MET A 23 2.780 12.796 -7.338 1.00 0.00 S ATOM 150 CE MET A 23 1.422 13.839 -7.912 1.00 0.00 C ATOM 0 H MET A 23 5.087 9.344 -4.937 1.00 0.00 H new ATOM 0 HA MET A 23 4.687 11.481 -5.568 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.967 9.859 -6.312 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.071 10.080 -4.822 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.057 11.243 -6.761 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.432 12.313 -5.424 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.803 14.575 -8.620 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.670 13.220 -8.401 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.973 14.352 -7.062 1.00 0.00 H new ATOM 151 N GLY A 24 2.690 12.205 -3.099 1.00 0.00 N ATOM 152 CA GLY A 24 2.352 13.270 -2.168 1.00 0.00 C ATOM 153 C GLY A 24 3.505 13.608 -1.227 1.00 0.00 C ATOM 154 O GLY A 24 3.694 14.776 -0.894 1.00 0.00 O ATOM 0 H GLY A 24 2.038 11.421 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.070 14.162 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.483 12.974 -1.581 1.00 0.00 H new ATOM 155 N SER A 25 4.256 12.572 -0.838 1.00 0.00 N ATOM 156 CA SER A 25 5.405 12.498 0.060 1.00 0.00 C ATOM 157 C SER A 25 5.044 11.466 1.128 1.00 0.00 C ATOM 158 O SER A 25 5.071 11.781 2.317 1.00 0.00 O ATOM 159 CB SER A 25 5.787 13.838 0.712 1.00 0.00 C ATOM 160 OG SER A 25 6.263 14.754 -0.254 1.00 0.00 O ATOM 0 H SER A 25 4.038 11.642 -1.197 1.00 0.00 H new ATOM 0 HA SER A 25 6.286 12.218 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.920 14.259 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.553 13.673 1.470 1.00 0.00 H new ATOM 0 HG SER A 25 5.513 15.079 -0.794 1.00 0.00 H new ATOM 161 N ALA A 26 4.713 10.229 0.729 1.00 0.00 N ATOM 162 CA ALA A 26 4.308 9.235 1.693 1.00 0.00 C ATOM 163 C ALA A 26 5.316 8.944 2.792 1.00 0.00 C ATOM 164 O ALA A 26 6.524 8.946 2.574 1.00 0.00 O ATOM 165 CB ALA A 26 4.039 7.922 0.962 1.00 0.00 C ATOM 0 H ALA A 26 4.722 9.911 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 26 3.426 9.651 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.732 7.162 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.246 8.070 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.947 7.596 0.454 1.00 0.00 H new ATOM 166 N LYS A 27 4.783 8.643 3.975 1.00 0.00 N ATOM 167 CA LYS A 27 5.564 8.205 5.113 1.00 0.00 C ATOM 168 C LYS A 27 6.191 6.905 4.597 1.00 0.00 C ATOM 169 O LYS A 27 5.416 6.012 4.253 1.00 0.00 O ATOM 170 CB LYS A 27 4.630 7.933 6.303 1.00 0.00 C ATOM 171 CG LYS A 27 3.810 9.167 6.717 1.00 0.00 C ATOM 172 CD LYS A 27 2.626 8.807 7.631 1.00 0.00 C ATOM 173 CE LYS A 27 1.621 7.881 6.925 1.00 0.00 C ATOM 174 NZ LYS A 27 0.313 7.850 7.598 1.00 0.00 N ATOM 0 H LYS A 27 3.782 8.700 4.165 1.00 0.00 H new ATOM 0 HA LYS A 27 6.302 8.928 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.950 7.121 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.223 7.595 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.460 9.875 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.436 9.668 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.998 8.320 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.120 9.719 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.488 8.213 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.029 6.871 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.294 7.137 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.444 7.606 8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.137 8.785 7.525 1.00 0.00 H new ATOM 175 N PRO A 28 7.526 6.798 4.460 1.00 0.00 N ATOM 176 CA PRO A 28 8.199 5.627 3.914 1.00 0.00 C ATOM 177 C PRO A 28 7.478 4.319 4.237 1.00 0.00 C ATOM 178 O PRO A 28 7.512 3.863 5.378 1.00 0.00 O ATOM 179 CB PRO A 28 9.617 5.682 4.483 1.00 0.00 C ATOM 180 CG PRO A 28 9.876 7.189 4.515 1.00 0.00 C ATOM 181 CD PRO A 28 8.514 7.768 4.909 1.00 0.00 C ATOM 0 HA PRO A 28 8.206 5.645 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.678 5.234 5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.333 5.156 3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.649 7.450 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.207 7.562 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.451 7.920 5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.351 8.738 4.440 1.00 0.00 H new ATOM 182 N VAL A 29 6.796 3.732 3.239 1.00 0.00 N ATOM 183 CA VAL A 29 6.072 2.483 3.446 1.00 0.00 C ATOM 184 C VAL A 29 7.084 1.446 3.978 1.00 0.00 C ATOM 185 O VAL A 29 6.715 0.564 4.751 1.00 0.00 O ATOM 186 CB VAL A 29 5.365 2.012 2.158 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.675 0.666 2.392 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.219 2.959 1.787 1.00 0.00 C ATOM 0 H VAL A 29 6.736 4.105 2.291 1.00 0.00 H new ATOM 0 HA VAL A 29 5.273 2.622 4.174 1.00 0.00 H new ATOM 0 HB VAL A 29 6.132 1.967 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.180 0.346 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.417 -0.078 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.935 0.769 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.736 2.606 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.491 2.984 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.614 3.962 1.623 1.00 0.00 H new ATOM 189 N LYS A 30 8.357 1.552 3.554 1.00 0.00 N ATOM 190 CA LYS A 30 9.487 0.729 3.972 1.00 0.00 C ATOM 191 C LYS A 30 9.713 0.803 5.485 1.00 0.00 C ATOM 192 O LYS A 30 10.555 1.547 5.989 1.00 0.00 O ATOM 193 CB LYS A 30 10.729 1.222 3.246 1.00 0.00 C ATOM 194 CG LYS A 30 11.921 0.267 3.359 1.00 0.00 C ATOM 195 CD LYS A 30 13.201 0.910 2.815 1.00 0.00 C ATOM 196 CE LYS A 30 14.264 -0.160 2.534 1.00 0.00 C ATOM 197 NZ LYS A 30 14.460 -1.067 3.680 1.00 0.00 N ATOM 0 H LYS A 30 8.631 2.258 2.871 1.00 0.00 H new ATOM 0 HA LYS A 30 9.276 -0.311 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.490 1.370 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.013 2.195 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.067 -0.014 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.709 -0.650 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.978 1.459 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.586 1.633 3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.970 -0.741 1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.209 0.325 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.383 -1.539 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.430 -0.520 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.705 -1.782 3.690 1.00 0.00 H new ATOM 198 N GLY A 31 8.918 0.026 6.196 1.00 0.00 N ATOM 199 CA GLY A 31 8.969 -0.105 7.642 1.00 0.00 C ATOM 200 C GLY A 31 7.599 -0.018 8.298 1.00 0.00 C ATOM 201 O GLY A 31 7.498 -0.229 9.506 1.00 0.00 O ATOM 0 H GLY A 31 8.194 -0.552 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.428 -1.060 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.610 0.677 8.049 1.00 0.00 H new ATOM 202 N GLN A 32 6.542 0.326 7.551 1.00 0.00 N ATOM 203 CA GLN A 32 5.219 0.385 8.135 1.00 0.00 C ATOM 204 C GLN A 32 4.848 -1.050 8.584 1.00 0.00 C ATOM 205 O GLN A 32 5.266 -2.017 7.952 1.00 0.00 O ATOM 206 CB GLN A 32 4.236 1.043 7.154 1.00 0.00 C ATOM 207 CG GLN A 32 4.451 2.563 6.928 1.00 0.00 C ATOM 208 CD GLN A 32 3.305 3.207 6.122 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.164 2.791 6.297 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.541 4.200 5.249 1.00 0.00 N ATOM 0 H GLN A 32 6.586 0.562 6.560 1.00 0.00 H new ATOM 0 HA GLN A 32 5.178 1.020 9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.311 0.534 6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.221 0.886 7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.537 3.062 7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.393 2.719 6.403 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.492 4.541 5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.769 4.614 4.726 1.00 0.00 H new ATOM 211 N GLY A 33 4.084 -1.183 9.677 1.00 0.00 N ATOM 212 CA GLY A 33 3.714 -2.435 10.356 1.00 0.00 C ATOM 213 C GLY A 33 3.383 -3.679 9.510 1.00 0.00 C ATOM 214 O GLY A 33 4.271 -4.416 9.096 1.00 0.00 O ATOM 0 H GLY A 33 3.682 -0.368 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.534 -2.701 11.024 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.848 -2.225 10.983 1.00 0.00 H new ATOM 215 N ALA A 34 2.084 -3.970 9.364 1.00 0.00 N ATOM 216 CA ALA A 34 1.461 -5.073 8.615 1.00 0.00 C ATOM 217 C ALA A 34 -0.027 -4.940 8.890 1.00 0.00 C ATOM 218 O ALA A 34 -0.814 -4.721 7.978 1.00 0.00 O ATOM 219 CB ALA A 34 1.936 -6.479 9.002 1.00 0.00 C ATOM 0 H ALA A 34 1.375 -3.386 9.808 1.00 0.00 H new ATOM 0 HA ALA A 34 1.736 -4.984 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.417 -7.219 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.010 -6.559 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.719 -6.659 10.055 1.00 0.00 H new ATOM 220 N GLU A 35 -0.403 -5.018 10.172 1.00 0.00 N ATOM 221 CA GLU A 35 -1.786 -4.809 10.571 1.00 0.00 C ATOM 222 C GLU A 35 -2.149 -3.388 10.125 1.00 0.00 C ATOM 223 O GLU A 35 -3.222 -3.153 9.584 1.00 0.00 O ATOM 224 CB GLU A 35 -1.935 -4.993 12.087 1.00 0.00 C ATOM 225 CG GLU A 35 -3.417 -5.098 12.470 1.00 0.00 C ATOM 226 CD GLU A 35 -3.618 -5.003 13.978 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.156 -5.934 14.672 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.220 -3.994 14.407 1.00 0.00 O ATOM 0 H GLU A 35 0.233 -5.224 10.942 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.459 -5.532 10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.406 -5.892 12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.477 -4.153 12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.977 -4.303 11.977 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.820 -6.044 12.108 1.00 0.00 H new ATOM 229 N GLU A 36 -1.207 -2.459 10.336 1.00 0.00 N ATOM 230 CA GLU A 36 -1.283 -1.059 9.952 1.00 0.00 C ATOM 231 C GLU A 36 -1.621 -0.970 8.470 1.00 0.00 C ATOM 232 O GLU A 36 -2.689 -0.521 8.069 1.00 0.00 O ATOM 233 CB GLU A 36 0.101 -0.426 10.214 1.00 0.00 C ATOM 234 CG GLU A 36 0.055 1.094 10.401 1.00 0.00 C ATOM 235 CD GLU A 36 1.449 1.726 10.421 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.438 0.964 10.528 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.500 2.970 10.315 1.00 0.00 O ATOM 0 H GLU A 36 -0.329 -2.684 10.804 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.051 -0.536 10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.536 -0.880 11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.763 -0.661 9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.530 1.538 9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.459 1.326 11.334 1.00 0.00 H new ATOM 238 N LEU A 37 -0.655 -1.436 7.684 1.00 0.00 N ATOM 239 CA LEU A 37 -0.678 -1.486 6.233 1.00 0.00 C ATOM 240 C LEU A 37 -2.025 -2.028 5.749 1.00 0.00 C ATOM 241 O LEU A 37 -2.679 -1.433 4.897 1.00 0.00 O ATOM 242 CB LEU A 37 0.477 -2.388 5.772 1.00 0.00 C ATOM 243 CG LEU A 37 1.870 -1.760 5.949 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.956 -2.838 5.965 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.164 -0.851 4.765 1.00 0.00 C ATOM 0 H LEU A 37 0.213 -1.809 8.069 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.554 -0.488 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.438 -3.324 6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.333 -2.637 4.721 1.00 0.00 H new ATOM 0 HG LEU A 37 1.873 -1.211 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.932 -2.369 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.774 -3.526 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.937 -3.388 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.150 -0.403 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.140 -1.434 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.412 -0.064 4.715 1.00 0.00 H new ATOM 246 N TYR A 38 -2.443 -3.159 6.316 1.00 0.00 N ATOM 247 CA TYR A 38 -3.681 -3.827 5.971 1.00 0.00 C ATOM 248 C TYR A 38 -4.909 -3.006 6.333 1.00 0.00 C ATOM 249 O TYR A 38 -5.789 -2.860 5.494 1.00 0.00 O ATOM 250 CB TYR A 38 -3.725 -5.174 6.682 1.00 0.00 C ATOM 251 CG TYR A 38 -5.006 -5.965 6.476 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.539 -6.153 5.184 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.743 -6.386 7.598 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.822 -6.709 5.024 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.008 -6.971 7.433 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.559 -7.112 6.150 1.00 0.00 C ATOM 257 OH TYR A 38 -8.819 -7.616 6.029 1.00 0.00 O ATOM 0 H TYR A 38 -1.913 -3.641 7.043 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.702 -3.961 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.884 -5.777 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.585 -5.009 7.750 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.962 -5.870 4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.334 -6.259 8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.240 -6.826 4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.559 -7.314 8.296 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.185 -7.376 5.152 1.00 0.00 H new ATOM 258 N LYS A 39 -5.017 -2.492 7.559 1.00 0.00 N ATOM 259 CA LYS A 39 -6.131 -1.710 7.988 1.00 0.00 C ATOM 260 C LYS A 39 -6.243 -0.461 7.117 1.00 0.00 C ATOM 261 O LYS A 39 -7.338 -0.057 6.729 1.00 0.00 O ATOM 262 CB LYS A 39 -5.829 -1.375 9.445 1.00 0.00 C ATOM 263 CG LYS A 39 -6.272 -2.495 10.394 1.00 0.00 C ATOM 264 CD LYS A 39 -5.856 -2.215 11.845 1.00 0.00 C ATOM 265 CE LYS A 39 -6.569 -0.997 12.441 1.00 0.00 C ATOM 266 NZ LYS A 39 -6.227 -0.830 13.864 1.00 0.00 N ATOM 0 H LYS A 39 -4.308 -2.622 8.281 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.087 -2.227 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.759 -1.201 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.334 -0.448 9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.355 -2.607 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.838 -3.440 10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.072 -3.092 12.456 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.778 -2.056 11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.289 -0.100 11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.647 -1.114 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.722 0.001 14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.517 -1.678 14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.200 -0.696 13.961 1.00 0.00 H new ATOM 267 N LYS A 40 -5.099 0.135 6.784 1.00 0.00 N ATOM 268 CA LYS A 40 -5.045 1.326 5.982 1.00 0.00 C ATOM 269 C LYS A 40 -5.498 1.012 4.557 1.00 0.00 C ATOM 270 O LYS A 40 -6.346 1.718 4.013 1.00 0.00 O ATOM 271 CB LYS A 40 -3.619 1.852 6.068 1.00 0.00 C ATOM 272 CG LYS A 40 -3.389 2.564 7.410 1.00 0.00 C ATOM 273 CD LYS A 40 -2.006 3.213 7.390 1.00 0.00 C ATOM 274 CE LYS A 40 -1.712 4.056 8.631 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.384 4.685 8.510 1.00 0.00 N ATOM 0 H LYS A 40 -4.183 -0.209 7.073 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.723 2.101 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.914 1.028 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.429 2.542 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.158 3.319 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.460 1.852 8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.249 2.434 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.921 3.842 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.477 4.823 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.747 3.430 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.330 5.507 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.351 3.997 8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.235 4.995 7.528 1.00 0.00 H new ATOM 276 N MET A 41 -4.963 -0.050 3.948 1.00 0.00 N ATOM 277 CA MET A 41 -5.377 -0.434 2.611 1.00 0.00 C ATOM 278 C MET A 41 -6.852 -0.812 2.611 1.00 0.00 C ATOM 279 O MET A 41 -7.555 -0.440 1.684 1.00 0.00 O ATOM 280 CB MET A 41 -4.535 -1.591 2.092 1.00 0.00 C ATOM 281 CG MET A 41 -3.215 -1.078 1.518 1.00 0.00 C ATOM 282 SD MET A 41 -2.248 -2.339 0.661 1.00 0.00 S ATOM 283 CE MET A 41 -1.781 -3.340 2.081 1.00 0.00 C ATOM 0 H MET A 41 -4.249 -0.650 4.362 1.00 0.00 H new ATOM 0 HA MET A 41 -5.228 0.417 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.337 -2.296 2.900 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.086 -2.133 1.324 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.424 -0.262 0.826 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.615 -0.663 2.328 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.981 -4.024 1.797 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.435 -2.691 2.886 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.644 -3.912 2.422 1.00 0.00 H new ATOM 284 N LYS A 42 -7.334 -1.550 3.613 1.00 0.00 N ATOM 285 CA LYS A 42 -8.743 -1.906 3.710 1.00 0.00 C ATOM 286 C LYS A 42 -9.540 -0.602 3.751 1.00 0.00 C ATOM 287 O LYS A 42 -10.557 -0.466 3.076 1.00 0.00 O ATOM 288 CB LYS A 42 -8.979 -2.785 4.945 1.00 0.00 C ATOM 289 CG LYS A 42 -10.405 -3.348 4.965 1.00 0.00 C ATOM 290 CD LYS A 42 -10.595 -4.257 6.185 1.00 0.00 C ATOM 291 CE LYS A 42 -11.973 -4.932 6.179 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.069 -3.952 6.278 1.00 0.00 N ATOM 0 H LYS A 42 -6.759 -1.914 4.373 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.071 -2.494 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.262 -3.606 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.804 -2.201 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.126 -2.531 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.596 -3.909 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.816 -5.019 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.480 -3.671 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.088 -5.513 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.037 -5.633 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.977 -4.453 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.928 -3.358 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.076 -3.352 5.428 1.00 0.00 H new ATOM 293 N GLY A 43 -9.052 0.369 4.526 1.00 0.00 N ATOM 294 CA GLY A 43 -9.650 1.683 4.610 1.00 0.00 C ATOM 295 C GLY A 43 -9.722 2.296 3.211 1.00 0.00 C ATOM 296 O GLY A 43 -10.785 2.724 2.783 1.00 0.00 O ATOM 0 H GLY A 43 -8.225 0.255 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.649 1.614 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.062 2.321 5.269 1.00 0.00 H new ATOM 297 N TYR A 44 -8.616 2.336 2.466 1.00 0.00 N ATOM 298 CA TYR A 44 -8.634 2.893 1.117 1.00 0.00 C ATOM 299 C TYR A 44 -9.507 2.060 0.170 1.00 0.00 C ATOM 300 O TYR A 44 -10.107 2.621 -0.739 1.00 0.00 O ATOM 301 CB TYR A 44 -7.206 2.980 0.564 1.00 0.00 C ATOM 302 CG TYR A 44 -6.291 4.002 1.216 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.704 5.342 1.371 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.955 3.657 1.496 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.812 6.305 1.874 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.052 4.634 1.945 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.480 5.953 2.145 1.00 0.00 C ATOM 308 OH TYR A 44 -3.607 6.854 2.670 1.00 0.00 O ATOM 0 H TYR A 44 -7.706 1.992 2.772 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.065 3.892 1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.743 1.998 0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.265 3.204 -0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.710 5.629 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.624 2.637 1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.151 7.315 2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.023 4.368 2.137 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.075 7.426 3.313 1.00 0.00 H new ATOM 309 N ALA A 45 -9.585 0.739 0.367 1.00 0.00 N ATOM 310 CA ALA A 45 -10.349 -0.185 -0.467 1.00 0.00 C ATOM 311 C ALA A 45 -11.766 0.359 -0.675 1.00 0.00 C ATOM 312 O ALA A 45 -12.237 0.440 -1.807 1.00 0.00 O ATOM 313 CB ALA A 45 -10.403 -1.582 0.158 1.00 0.00 C ATOM 0 H ALA A 45 -9.102 0.273 1.135 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.849 -0.271 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.978 -2.247 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.391 -1.971 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.878 -1.524 1.137 1.00 0.00 H new ATOM 314 N ASP A 46 -12.441 0.717 0.427 1.00 0.00 N ATOM 315 CA ASP A 46 -13.793 1.274 0.389 1.00 0.00 C ATOM 316 C ASP A 46 -13.754 2.809 0.365 1.00 0.00 C ATOM 317 O ASP A 46 -14.621 3.435 -0.239 1.00 0.00 O ATOM 318 CB ASP A 46 -14.624 0.751 1.572 1.00 0.00 C ATOM 319 CG ASP A 46 -14.380 1.508 2.873 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.214 1.521 3.322 1.00 0.00 O ATOM 321 OD2 ASP A 46 -15.362 2.077 3.394 1.00 0.00 O ATOM 0 H ASP A 46 -12.061 0.627 1.369 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.276 0.945 -0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.682 0.814 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.396 -0.304 1.727 1.00 0.00 H new ATOM 322 N GLY A 47 -12.762 3.408 1.032 1.00 0.00 N ATOM 323 CA GLY A 47 -12.545 4.846 1.133 1.00 0.00 C ATOM 324 C GLY A 47 -12.680 5.369 2.569 1.00 0.00 C ATOM 325 O GLY A 47 -12.802 6.575 2.770 1.00 0.00 O ATOM 0 H GLY A 47 -12.057 2.873 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.551 5.086 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.261 5.363 0.494 1.00 0.00 H new ATOM 326 N SER A 48 -12.611 4.494 3.579 1.00 0.00 N ATOM 327 CA SER A 48 -12.727 4.843 4.991 1.00 0.00 C ATOM 328 C SER A 48 -11.354 5.159 5.606 1.00 0.00 C ATOM 329 O SER A 48 -11.109 4.841 6.770 1.00 0.00 O ATOM 330 CB SER A 48 -13.433 3.693 5.728 1.00 0.00 C ATOM 331 OG SER A 48 -13.642 4.019 7.089 1.00 0.00 O ATOM 0 H SER A 48 -12.469 3.495 3.427 1.00 0.00 H new ATOM 0 HA SER A 48 -13.323 5.750 5.093 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.389 3.482 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.833 2.786 5.655 1.00 0.00 H new ATOM 0 HG SER A 48 -12.818 4.392 7.466 1.00 0.00 H new ATOM 332 N TYR A 49 -10.451 5.769 4.837 1.00 0.00 N ATOM 333 CA TYR A 49 -9.124 6.196 5.269 1.00 0.00 C ATOM 334 C TYR A 49 -8.663 7.253 4.270 1.00 0.00 C ATOM 335 O TYR A 49 -9.207 7.322 3.167 1.00 0.00 O ATOM 336 CB TYR A 49 -8.154 5.008 5.367 1.00 0.00 C ATOM 337 CG TYR A 49 -6.749 5.354 5.836 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.557 6.087 7.023 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.630 4.965 5.079 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.274 6.544 7.370 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.342 5.402 5.439 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.170 6.235 6.557 1.00 0.00 C ATOM 343 OH TYR A 49 -2.931 6.677 6.915 1.00 0.00 O ATOM 0 H TYR A 49 -10.634 5.987 3.857 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.151 6.618 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.576 4.271 6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.086 4.534 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.397 6.298 7.668 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.760 4.328 4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.136 7.134 8.264 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.486 5.097 4.856 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.249 6.168 6.429 1.00 0.00 H new ATOM 344 N GLY A 50 -7.693 8.088 4.653 1.00 0.00 N ATOM 345 CA GLY A 50 -7.203 9.162 3.809 1.00 0.00 C ATOM 346 C GLY A 50 -5.691 9.314 3.832 1.00 0.00 C ATOM 347 O GLY A 50 -4.973 8.497 4.404 1.00 0.00 O ATOM 0 H GLY A 50 -7.230 8.032 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.526 8.983 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.659 10.100 4.127 1.00 0.00 H new ATOM 348 N GLY A 51 -5.217 10.370 3.172 1.00 0.00 N ATOM 349 CA GLY A 51 -3.859 10.760 2.989 1.00 0.00 C ATOM 350 C GLY A 51 -3.781 11.743 1.828 1.00 0.00 C ATOM 351 O GLY A 51 -4.780 11.980 1.143 1.00 0.00 O ATOM 0 H GLY A 51 -5.853 11.024 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.473 11.220 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.240 9.886 2.786 1.00 0.00 H new ATOM 352 N GLU A 52 -2.587 12.291 1.630 1.00 0.00 N ATOM 353 CA GLU A 52 -2.221 13.255 0.602 1.00 0.00 C ATOM 354 C GLU A 52 -2.769 12.858 -0.769 1.00 0.00 C ATOM 355 O GLU A 52 -3.248 13.720 -1.505 1.00 0.00 O ATOM 356 CB GLU A 52 -0.690 13.354 0.522 1.00 0.00 C ATOM 357 CG GLU A 52 -0.050 13.882 1.815 1.00 0.00 C ATOM 358 CD GLU A 52 1.475 13.878 1.735 1.00 0.00 C ATOM 359 OE1 GLU A 52 2.026 12.847 1.292 1.00 0.00 O ATOM 360 OE2 GLU A 52 2.067 14.911 2.116 1.00 0.00 O ATOM 0 H GLU A 52 -1.794 12.055 2.227 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.655 14.217 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.280 12.370 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.417 14.010 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.401 14.896 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.372 13.269 2.657 1.00 0.00 H new ATOM 361 N ARG A 53 -2.662 11.574 -1.125 1.00 0.00 N ATOM 362 CA ARG A 53 -3.143 11.058 -2.415 1.00 0.00 C ATOM 363 C ARG A 53 -4.074 9.870 -2.190 1.00 0.00 C ATOM 364 O ARG A 53 -4.022 8.882 -2.926 1.00 0.00 O ATOM 365 CB ARG A 53 -1.992 10.712 -3.392 1.00 0.00 C ATOM 366 CG ARG A 53 -0.924 11.810 -3.496 1.00 0.00 C ATOM 367 CD ARG A 53 -1.425 13.027 -4.284 1.00 0.00 C ATOM 368 NE ARG A 53 -0.417 14.098 -4.316 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.410 15.215 -3.569 1.00 0.00 C ATOM 370 NH1 ARG A 53 -1.339 15.440 -2.634 1.00 0.00 N ATOM 371 NH2 ARG A 53 0.554 16.119 -3.767 1.00 0.00 N ATOM 0 H ARG A 53 -2.240 10.862 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.707 11.856 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.518 9.785 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.410 10.528 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.628 12.123 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.035 11.406 -3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.671 12.727 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.343 13.403 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 53 0.355 13.981 -4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.077 14.755 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.309 16.297 -2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.269 15.955 -4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.575 16.973 -3.209 1.00 0.00 H new ATOM 372 N LYS A 54 -4.981 10.000 -1.213 1.00 0.00 N ATOM 373 CA LYS A 54 -5.942 8.956 -0.886 1.00 0.00 C ATOM 374 C LYS A 54 -6.706 8.466 -2.119 1.00 0.00 C ATOM 375 O LYS A 54 -7.057 7.294 -2.189 1.00 0.00 O ATOM 376 CB LYS A 54 -6.938 9.463 0.163 1.00 0.00 C ATOM 377 CG LYS A 54 -7.810 10.656 -0.268 1.00 0.00 C ATOM 378 CD LYS A 54 -8.795 11.094 0.829 1.00 0.00 C ATOM 379 CE LYS A 54 -10.161 10.388 0.772 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.079 8.924 0.926 1.00 0.00 N ATOM 0 H LYS A 54 -5.064 10.834 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.377 8.114 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.594 8.639 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.383 9.746 1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.167 11.496 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.367 10.389 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.343 10.907 1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.952 12.170 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.801 10.792 1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.639 10.618 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.037 8.532 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.626 8.511 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.517 8.695 1.770 1.00 0.00 H new ATOM 381 N ALA A 55 -6.998 9.357 -3.072 1.00 0.00 N ATOM 382 CA ALA A 55 -7.725 9.014 -4.287 1.00 0.00 C ATOM 383 C ALA A 55 -6.908 8.042 -5.138 1.00 0.00 C ATOM 384 O ALA A 55 -7.413 7.000 -5.557 1.00 0.00 O ATOM 385 CB ALA A 55 -8.042 10.292 -5.069 1.00 0.00 C ATOM 0 H ALA A 55 -6.733 10.340 -3.017 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.661 8.522 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.586 10.037 -5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.653 10.953 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.113 10.798 -5.332 1.00 0.00 H new ATOM 386 N MET A 56 -5.639 8.384 -5.387 1.00 0.00 N ATOM 387 CA MET A 56 -4.743 7.542 -6.166 1.00 0.00 C ATOM 388 C MET A 56 -4.630 6.194 -5.460 1.00 0.00 C ATOM 389 O MET A 56 -4.726 5.142 -6.090 1.00 0.00 O ATOM 390 CB MET A 56 -3.364 8.204 -6.303 1.00 0.00 C ATOM 391 CG MET A 56 -3.418 9.544 -7.048 1.00 0.00 C ATOM 392 SD MET A 56 -4.013 9.458 -8.756 1.00 0.00 S ATOM 393 CE MET A 56 -3.899 11.202 -9.209 1.00 0.00 C ATOM 0 H MET A 56 -5.212 9.248 -5.054 1.00 0.00 H new ATOM 0 HA MET A 56 -5.138 7.402 -7.172 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.942 8.362 -5.311 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.692 7.527 -6.831 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.061 10.225 -6.491 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.419 9.980 -7.050 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.230 11.333 -10.239 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.533 11.792 -8.547 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.866 11.536 -9.115 1.00 0.00 H new ATOM 394 N MET A 57 -4.460 6.241 -4.137 1.00 0.00 N ATOM 395 CA MET A 57 -4.360 5.042 -3.329 1.00 0.00 C ATOM 396 C MET A 57 -5.611 4.181 -3.500 1.00 0.00 C ATOM 397 O MET A 57 -5.516 3.031 -3.913 1.00 0.00 O ATOM 398 CB MET A 57 -4.095 5.442 -1.868 1.00 0.00 C ATOM 399 CG MET A 57 -2.586 5.459 -1.594 1.00 0.00 C ATOM 400 SD MET A 57 -1.745 3.911 -2.017 1.00 0.00 S ATOM 401 CE MET A 57 -2.640 2.702 -1.015 1.00 0.00 C ATOM 0 H MET A 57 -4.389 7.109 -3.606 1.00 0.00 H new ATOM 0 HA MET A 57 -3.522 4.428 -3.658 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.520 6.426 -1.669 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.587 4.740 -1.195 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.133 6.273 -2.160 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.421 5.674 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.441 1.699 -1.392 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.310 2.772 0.021 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.710 2.905 -1.069 1.00 0.00 H new ATOM 402 N THR A 58 -6.785 4.730 -3.203 1.00 0.00 N ATOM 403 CA THR A 58 -8.068 4.071 -3.367 1.00 0.00 C ATOM 404 C THR A 58 -8.133 3.441 -4.756 1.00 0.00 C ATOM 405 O THR A 58 -8.489 2.278 -4.870 1.00 0.00 O ATOM 406 CB THR A 58 -9.197 5.096 -3.156 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.149 5.575 -1.826 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.585 4.505 -3.425 1.00 0.00 C ATOM 0 H THR A 58 -6.868 5.676 -2.830 1.00 0.00 H new ATOM 0 HA THR A 58 -8.189 3.279 -2.628 1.00 0.00 H new ATOM 0 HB THR A 58 -9.040 5.906 -3.869 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.439 6.246 -1.745 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.344 5.270 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.638 4.156 -4.456 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.761 3.668 -2.749 1.00 0.00 H new ATOM 409 N ASN A 59 -7.766 4.171 -5.813 1.00 0.00 N ATOM 410 CA ASN A 59 -7.781 3.613 -7.162 1.00 0.00 C ATOM 411 C ASN A 59 -6.831 2.410 -7.273 1.00 0.00 C ATOM 412 O ASN A 59 -7.203 1.375 -7.822 1.00 0.00 O ATOM 413 CB ASN A 59 -7.408 4.699 -8.176 1.00 0.00 C ATOM 414 CG ASN A 59 -7.250 4.108 -9.573 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.226 3.920 -10.290 1.00 0.00 O ATOM 416 ND2 ASN A 59 -6.018 3.804 -9.974 1.00 0.00 N ATOM 0 H ASN A 59 -7.458 5.142 -5.759 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.788 3.257 -7.381 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.178 5.471 -8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.478 5.181 -7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.867 3.403 -10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.224 3.972 -9.355 1.00 0.00 H new ATOM 417 N ALA A 60 -5.608 2.537 -6.750 1.00 0.00 N ATOM 418 CA ALA A 60 -4.599 1.483 -6.788 1.00 0.00 C ATOM 419 C ALA A 60 -5.084 0.215 -6.071 1.00 0.00 C ATOM 420 O ALA A 60 -4.867 -0.905 -6.528 1.00 0.00 O ATOM 421 CB ALA A 60 -3.323 2.020 -6.120 1.00 0.00 C ATOM 0 H ALA A 60 -5.290 3.387 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.401 1.209 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.552 1.249 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.970 2.897 -6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.541 2.294 -5.088 1.00 0.00 H new ATOM 422 N VAL A 61 -5.747 0.420 -4.937 1.00 0.00 N ATOM 423 CA VAL A 61 -6.262 -0.586 -4.021 1.00 0.00 C ATOM 424 C VAL A 61 -7.614 -1.170 -4.452 1.00 0.00 C ATOM 425 O VAL A 61 -7.887 -2.336 -4.182 1.00 0.00 O ATOM 426 CB VAL A 61 -6.321 0.124 -2.657 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.997 -0.631 -1.521 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.898 0.424 -2.176 1.00 0.00 C ATOM 0 H VAL A 61 -5.952 1.365 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.618 -1.465 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.928 1.007 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.973 -0.024 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.032 -0.842 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.470 -1.569 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.939 0.927 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.343 -0.509 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.398 1.068 -2.899 1.00 0.00 H new ATOM 429 N LYS A 62 -8.461 -0.393 -5.127 1.00 0.00 N ATOM 430 CA LYS A 62 -9.794 -0.789 -5.573 1.00 0.00 C ATOM 431 C LYS A 62 -9.764 -2.092 -6.373 1.00 0.00 C ATOM 432 O LYS A 62 -10.684 -2.898 -6.265 1.00 0.00 O ATOM 433 CB LYS A 62 -10.407 0.384 -6.360 1.00 0.00 C ATOM 434 CG LYS A 62 -11.714 0.097 -7.120 1.00 0.00 C ATOM 435 CD LYS A 62 -11.571 -0.566 -8.503 1.00 0.00 C ATOM 436 CE LYS A 62 -10.547 0.131 -9.408 1.00 0.00 C ATOM 437 NZ LYS A 62 -10.619 -0.376 -10.789 1.00 0.00 N ATOM 0 H LYS A 62 -8.227 0.565 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.426 -1.003 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.591 1.202 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.666 0.737 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.338 -0.544 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.250 1.038 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.278 -1.608 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.542 -0.568 -8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.727 1.206 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.543 -0.026 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.915 0.115 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.423 -1.397 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.570 -0.204 -11.173 1.00 0.00 H new ATOM 438 N LYS A 63 -8.720 -2.311 -7.176 1.00 0.00 N ATOM 439 CA LYS A 63 -8.610 -3.525 -7.977 1.00 0.00 C ATOM 440 C LYS A 63 -8.219 -4.755 -7.137 1.00 0.00 C ATOM 441 O LYS A 63 -8.134 -5.851 -7.687 1.00 0.00 O ATOM 442 CB LYS A 63 -7.642 -3.291 -9.149 1.00 0.00 C ATOM 443 CG LYS A 63 -6.294 -2.661 -8.768 1.00 0.00 C ATOM 444 CD LYS A 63 -5.347 -2.750 -9.973 1.00 0.00 C ATOM 445 CE LYS A 63 -4.097 -1.881 -9.796 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.322 -2.261 -8.604 1.00 0.00 N ATOM 0 H LYS A 63 -7.941 -1.662 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.596 -3.752 -8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.453 -4.246 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.131 -2.648 -9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.433 -1.621 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.864 -3.180 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.047 -3.788 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.878 -2.440 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.467 -1.969 -10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.392 -0.835 -9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.309 -2.107 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.622 -1.680 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.486 -3.265 -8.389 1.00 0.00 H new ATOM 447 N TYR A 64 -7.966 -4.602 -5.833 1.00 0.00 N ATOM 448 CA TYR A 64 -7.603 -5.664 -4.925 1.00 0.00 C ATOM 449 C TYR A 64 -8.781 -5.947 -3.998 1.00 0.00 C ATOM 450 O TYR A 64 -9.901 -5.476 -4.185 1.00 0.00 O ATOM 451 CB TYR A 64 -6.310 -5.246 -4.206 1.00 0.00 C ATOM 452 CG TYR A 64 -5.105 -5.013 -5.106 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.976 -5.681 -6.340 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.048 -4.205 -4.649 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.833 -5.492 -7.129 1.00 0.00 C ATOM 456 CE2 TYR A 64 -2.872 -4.082 -5.409 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.764 -4.723 -6.655 1.00 0.00 C ATOM 458 OH TYR A 64 -1.662 -4.595 -7.449 1.00 0.00 O ATOM 0 H TYR A 64 -8.014 -3.692 -5.375 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.394 -6.604 -5.436 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.506 -4.331 -3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.054 -6.016 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.761 -6.341 -6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.140 -3.677 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.777 -5.943 -8.109 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.048 -3.493 -5.034 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.858 -4.805 -6.929 1.00 0.00 H new ATOM 459 N SER A 65 -8.521 -6.791 -3.014 1.00 0.00 N ATOM 460 CA SER A 65 -9.459 -7.283 -2.017 1.00 0.00 C ATOM 461 C SER A 65 -8.654 -7.820 -0.842 1.00 0.00 C ATOM 462 O SER A 65 -7.480 -8.136 -1.019 1.00 0.00 O ATOM 463 CB SER A 65 -10.310 -8.383 -2.652 1.00 0.00 C ATOM 464 OG SER A 65 -11.255 -7.828 -3.545 1.00 0.00 O ATOM 0 H SER A 65 -7.586 -7.177 -2.881 1.00 0.00 H new ATOM 0 HA SER A 65 -10.122 -6.494 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.668 -9.086 -3.184 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.824 -8.947 -1.874 1.00 0.00 H new ATOM 0 HG SER A 65 -10.948 -6.945 -3.838 1.00 0.00 H new ATOM 465 N ASP A 66 -9.287 -7.934 0.327 1.00 0.00 N ATOM 466 CA ASP A 66 -8.705 -8.366 1.595 1.00 0.00 C ATOM 467 C ASP A 66 -7.556 -9.367 1.482 1.00 0.00 C ATOM 468 O ASP A 66 -6.532 -9.157 2.121 1.00 0.00 O ATOM 469 CB ASP A 66 -9.812 -8.916 2.495 1.00 0.00 C ATOM 470 CG ASP A 66 -10.739 -7.781 2.904 1.00 0.00 C ATOM 471 OD1 ASP A 66 -11.638 -7.473 2.092 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.485 -7.206 3.985 1.00 0.00 O ATOM 0 H ASP A 66 -10.279 -7.714 0.417 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.247 -7.478 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.374 -9.688 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.379 -9.383 3.379 1.00 0.00 H new ATOM 473 N GLU A 67 -7.697 -10.444 0.703 1.00 0.00 N ATOM 474 CA GLU A 67 -6.617 -11.424 0.568 1.00 0.00 C ATOM 475 C GLU A 67 -5.381 -10.738 -0.022 1.00 0.00 C ATOM 476 O GLU A 67 -4.295 -10.765 0.554 1.00 0.00 O ATOM 477 CB GLU A 67 -7.089 -12.608 -0.298 1.00 0.00 C ATOM 478 CG GLU A 67 -6.115 -13.804 -0.297 1.00 0.00 C ATOM 479 CD GLU A 67 -5.034 -13.738 -1.379 1.00 0.00 C ATOM 480 OE1 GLU A 67 -3.978 -13.119 -1.128 1.00 0.00 O ATOM 481 OE2 GLU A 67 -5.254 -14.325 -2.462 1.00 0.00 O ATOM 0 H GLU A 67 -8.536 -10.657 0.164 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.346 -11.823 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.062 -12.943 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.227 -12.264 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.633 -13.864 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.687 -14.723 -0.427 1.00 0.00 H new ATOM 482 N GLU A 68 -5.569 -10.101 -1.178 1.00 0.00 N ATOM 483 CA GLU A 68 -4.533 -9.389 -1.897 1.00 0.00 C ATOM 484 C GLU A 68 -3.921 -8.324 -0.983 1.00 0.00 C ATOM 485 O GLU A 68 -2.706 -8.249 -0.835 1.00 0.00 O ATOM 486 CB GLU A 68 -5.156 -8.740 -3.140 1.00 0.00 C ATOM 487 CG GLU A 68 -6.082 -9.635 -3.977 1.00 0.00 C ATOM 488 CD GLU A 68 -5.456 -10.982 -4.298 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.326 -10.982 -4.835 1.00 0.00 O ATOM 490 OE2 GLU A 68 -6.092 -12.004 -3.970 1.00 0.00 O ATOM 0 H GLU A 68 -6.475 -10.070 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.744 -10.074 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.721 -7.863 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.350 -8.385 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.016 -9.792 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.333 -9.124 -4.906 1.00 0.00 H new ATOM 491 N LEU A 69 -4.775 -7.504 -0.367 1.00 0.00 N ATOM 492 CA LEU A 69 -4.370 -6.439 0.539 1.00 0.00 C ATOM 493 C LEU A 69 -3.541 -6.984 1.706 1.00 0.00 C ATOM 494 O LEU A 69 -2.498 -6.427 2.048 1.00 0.00 O ATOM 495 CB LEU A 69 -5.623 -5.715 1.046 1.00 0.00 C ATOM 496 CG LEU A 69 -6.461 -5.061 -0.060 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.634 -4.300 0.564 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.613 -4.119 -0.910 1.00 0.00 C ATOM 0 H LEU A 69 -5.786 -7.567 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.736 -5.735 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.247 -6.427 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.322 -4.948 1.760 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.844 -5.846 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.227 -3.836 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.258 -4.993 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.253 -3.528 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.234 -3.670 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.197 -3.334 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.801 -4.679 -1.374 1.00 0.00 H new ATOM 499 N LYS A 70 -3.992 -8.070 2.333 1.00 0.00 N ATOM 500 CA LYS A 70 -3.283 -8.677 3.445 1.00 0.00 C ATOM 501 C LYS A 70 -1.942 -9.233 2.960 1.00 0.00 C ATOM 502 O LYS A 70 -0.937 -9.095 3.657 1.00 0.00 O ATOM 503 CB LYS A 70 -4.160 -9.766 4.076 1.00 0.00 C ATOM 504 CG LYS A 70 -3.534 -10.326 5.359 1.00 0.00 C ATOM 505 CD LYS A 70 -4.480 -11.351 5.997 1.00 0.00 C ATOM 506 CE LYS A 70 -3.931 -11.879 7.328 1.00 0.00 C ATOM 507 NZ LYS A 70 -2.656 -12.598 7.155 1.00 0.00 N ATOM 0 H LYS A 70 -4.857 -8.548 2.081 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.073 -7.930 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.144 -9.356 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.307 -10.575 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.576 -10.794 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.335 -9.516 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.455 -10.893 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.631 -12.184 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.787 -11.046 8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.664 -12.545 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.381 -13.039 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.768 -13.335 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.918 -11.929 6.857 1.00 0.00 H new ATOM 508 N ALA A 71 -1.911 -9.848 1.772 1.00 0.00 N ATOM 509 CA ALA A 71 -0.687 -10.405 1.224 1.00 0.00 C ATOM 510 C ALA A 71 0.290 -9.264 0.980 1.00 0.00 C ATOM 511 O ALA A 71 1.465 -9.359 1.332 1.00 0.00 O ATOM 512 CB ALA A 71 -0.983 -11.173 -0.065 1.00 0.00 C ATOM 0 H ALA A 71 -2.729 -9.969 1.175 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.245 -11.112 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.056 -11.585 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.679 -11.985 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.425 -10.498 -0.798 1.00 0.00 H new ATOM 513 N LEU A 72 -0.201 -8.173 0.384 1.00 0.00 N ATOM 514 CA LEU A 72 0.614 -7.006 0.146 1.00 0.00 C ATOM 515 C LEU A 72 1.197 -6.536 1.460 1.00 0.00 C ATOM 516 O LEU A 72 2.409 -6.509 1.604 1.00 0.00 O ATOM 517 CB LEU A 72 -0.276 -5.909 -0.410 1.00 0.00 C ATOM 518 CG LEU A 72 -0.326 -6.051 -1.916 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.427 -5.150 -2.402 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.967 -5.523 -2.506 1.00 0.00 C ATOM 0 H LEU A 72 -1.165 -8.086 0.061 1.00 0.00 H new ATOM 0 HA LEU A 72 1.416 -7.241 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.278 -5.984 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.113 -4.929 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.480 -7.092 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.501 -5.219 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.372 -5.456 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.207 -4.121 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.939 -5.622 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.086 -4.473 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.807 -6.094 -2.111 1.00 0.00 H new ATOM 521 N ALA A 73 0.335 -6.192 2.418 1.00 0.00 N ATOM 522 CA ALA A 73 0.768 -5.692 3.707 1.00 0.00 C ATOM 523 C ALA A 73 1.819 -6.618 4.321 1.00 0.00 C ATOM 524 O ALA A 73 2.835 -6.139 4.810 1.00 0.00 O ATOM 525 CB ALA A 73 -0.444 -5.580 4.633 1.00 0.00 C ATOM 0 H ALA A 73 -0.678 -6.255 2.315 1.00 0.00 H new ATOM 0 HA ALA A 73 1.221 -4.709 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.126 -5.204 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.171 -4.894 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.900 -6.562 4.755 1.00 0.00 H new ATOM 526 N ASP A 74 1.579 -7.932 4.325 1.00 0.00 N ATOM 527 CA ASP A 74 2.544 -8.907 4.817 1.00 0.00 C ATOM 528 C ASP A 74 3.884 -8.717 4.093 1.00 0.00 C ATOM 529 O ASP A 74 4.930 -8.741 4.734 1.00 0.00 O ATOM 530 CB ASP A 74 2.011 -10.328 4.618 1.00 0.00 C ATOM 531 CG ASP A 74 3.030 -11.353 5.097 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.174 -11.472 6.333 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.650 -11.993 4.220 1.00 0.00 O ATOM 0 H ASP A 74 0.710 -8.345 3.987 1.00 0.00 H new ATOM 0 HA ASP A 74 2.700 -8.753 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.077 -10.452 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.787 -10.494 3.564 1.00 0.00 H new ATOM 534 N TYR A 75 3.872 -8.515 2.769 1.00 0.00 N ATOM 535 CA TYR A 75 5.111 -8.264 2.038 1.00 0.00 C ATOM 536 C TYR A 75 5.700 -6.936 2.517 1.00 0.00 C ATOM 537 O TYR A 75 6.840 -6.914 2.979 1.00 0.00 O ATOM 538 CB TYR A 75 4.920 -8.259 0.515 1.00 0.00 C ATOM 539 CG TYR A 75 6.205 -7.881 -0.204 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.288 -8.777 -0.166 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.415 -6.561 -0.654 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.562 -8.368 -0.593 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.696 -6.149 -1.071 1.00 0.00 C ATOM 544 CZ TYR A 75 8.773 -7.053 -1.034 1.00 0.00 C ATOM 545 OH TYR A 75 10.020 -6.692 -1.451 1.00 0.00 O ATOM 0 H TYR A 75 3.030 -8.521 2.194 1.00 0.00 H new ATOM 0 HA TYR A 75 5.799 -9.083 2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.593 -9.245 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.131 -7.555 0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.139 -9.785 0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.591 -5.864 -0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.383 -9.069 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.851 -5.139 -1.419 1.00 0.00 H new ATOM 0 HH TYR A 75 10.089 -5.715 -1.469 1.00 0.00 H new ATOM 546 N MET A 76 4.949 -5.827 2.411 1.00 0.00 N ATOM 547 CA MET A 76 5.445 -4.533 2.880 1.00 0.00 C ATOM 548 C MET A 76 5.974 -4.578 4.324 1.00 0.00 C ATOM 549 O MET A 76 6.847 -3.805 4.701 1.00 0.00 O ATOM 550 CB MET A 76 4.342 -3.490 2.746 1.00 0.00 C ATOM 551 CG MET A 76 4.143 -3.097 1.278 1.00 0.00 C ATOM 552 SD MET A 76 2.635 -3.692 0.493 1.00 0.00 S ATOM 553 CE MET A 76 1.466 -2.477 1.112 1.00 0.00 C ATOM 0 H MET A 76 4.011 -5.804 2.010 1.00 0.00 H new ATOM 0 HA MET A 76 6.295 -4.262 2.253 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.410 -3.885 3.151 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.596 -2.607 3.333 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.159 -2.009 1.209 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.995 -3.465 0.706 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.528 -2.562 0.563 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.284 -2.655 2.172 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.876 -1.476 0.977 1.00 0.00 H new ATOM 554 N SER A 77 5.454 -5.471 5.158 1.00 0.00 N ATOM 555 CA SER A 77 5.933 -5.623 6.526 1.00 0.00 C ATOM 556 C SER A 77 7.442 -5.898 6.555 1.00 0.00 C ATOM 557 O SER A 77 8.123 -5.490 7.493 1.00 0.00 O ATOM 558 CB SER A 77 5.186 -6.774 7.211 1.00 0.00 C ATOM 559 OG SER A 77 5.469 -6.811 8.595 1.00 0.00 O ATOM 0 H SER A 77 4.695 -6.105 4.908 1.00 0.00 H new ATOM 0 HA SER A 77 5.744 -4.692 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.113 -6.657 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.471 -7.721 6.753 1.00 0.00 H new ATOM 0 HG SER A 77 5.116 -6.003 9.023 1.00 0.00 H new ATOM 560 N LYS A 78 7.973 -6.596 5.541 1.00 0.00 N ATOM 561 CA LYS A 78 9.385 -6.954 5.460 1.00 0.00 C ATOM 562 C LYS A 78 10.102 -6.046 4.451 1.00 0.00 C ATOM 563 O LYS A 78 11.035 -6.483 3.780 1.00 0.00 O ATOM 564 CB LYS A 78 9.502 -8.442 5.072 1.00 0.00 C ATOM 565 CG LYS A 78 8.444 -9.363 5.709 1.00 0.00 C ATOM 566 CD LYS A 78 8.375 -9.272 7.241 1.00 0.00 C ATOM 567 CE LYS A 78 7.165 -10.055 7.770 1.00 0.00 C ATOM 568 NZ LYS A 78 6.722 -9.538 9.078 1.00 0.00 N ATOM 0 H LYS A 78 7.423 -6.929 4.749 1.00 0.00 H new ATOM 0 HA LYS A 78 9.867 -6.809 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.431 -8.526 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.492 -8.800 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.466 -9.115 5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.657 -10.394 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.292 -9.669 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.303 -8.228 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.346 -9.989 7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.424 -11.110 7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.032 -10.194 9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.542 -9.449 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.280 -8.605 8.951 1.00 0.00 H new ATOM 569 N LEU A 79 9.644 -4.797 4.336 1.00 0.00 N ATOM 570 CA LEU A 79 10.161 -3.789 3.426 1.00 0.00 C ATOM 571 C LEU A 79 11.215 -2.933 4.126 1.00 0.00 C ATOM 572 O LEU A 79 10.834 -2.244 5.098 1.00 0.00 O ATOM 573 CB LEU A 79 8.949 -2.968 2.990 1.00 0.00 C ATOM 574 CG LEU A 79 9.047 -2.115 1.730 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.166 -3.015 0.517 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.730 -1.363 1.556 1.00 0.00 C ATOM 577 OXT LEU A 79 12.379 -2.955 3.672 1.00 0.00 O ATOM 0 H LEU A 79 8.869 -4.452 4.902 1.00 0.00 H new ATOM 0 HA LEU A 79 10.658 -4.227 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.116 -3.658 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.686 -2.306 3.815 1.00 0.00 H new ATOM 0 HG LEU A 79 9.904 -1.447 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.236 -2.405 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.060 -3.632 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.288 -3.657 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.779 -0.746 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.913 -2.078 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.556 -0.728 2.424 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.601 3.862 -2.102 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.356 5.102 1.021 1.00 5.52 C HETATM 581 CHB HEM A 80 0.091 0.716 -0.817 1.00 7.91 C HETATM 582 CHC HEM A 80 0.274 2.634 -5.271 1.00 6.02 C HETATM 583 CHD HEM A 80 0.997 7.060 -3.343 1.00 10.53 C HETATM 584 NA HEM A 80 0.444 3.058 -0.279 1.00 6.22 N HETATM 585 C1A HEM A 80 0.410 3.740 0.903 1.00 6.23 C HETATM 586 C2A HEM A 80 0.481 2.853 2.017 1.00 8.27 C HETATM 587 C3A HEM A 80 0.284 1.613 1.530 1.00 7.07 C HETATM 588 C4A HEM A 80 0.267 1.743 0.087 1.00 9.92 C HETATM 589 CMA HEM A 80 0.191 0.344 2.312 1.00 7.00 C HETATM 590 CAA HEM A 80 0.799 3.300 3.413 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.332 4.015 4.166 1.00 11.15 C HETATM 592 CGA HEM A 80 0.129 5.253 4.942 1.00 22.27 C HETATM 593 O1A HEM A 80 -0.649 5.756 5.750 1.00 18.65 O HETATM 594 O2A HEM A 80 1.247 5.715 4.720 1.00 17.21 O HETATM 595 NB HEM A 80 0.179 2.076 -2.877 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.052 0.898 -2.189 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.452 -0.130 -3.100 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.201 0.339 -4.351 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.093 1.746 -4.215 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.936 -1.487 -2.676 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.155 -0.445 -5.638 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.461 -1.099 -6.088 1.00 6.48 C HETATM 603 NC HEM A 80 0.721 4.665 -3.930 1.00 3.58 N HETATM 604 C1C HEM A 80 0.559 3.992 -5.131 1.00 4.45 C HETATM 605 C2C HEM A 80 0.791 4.884 -6.236 1.00 5.77 C HETATM 606 C3C HEM A 80 1.153 6.084 -5.707 1.00 8.44 C HETATM 607 C4C HEM A 80 0.960 5.993 -4.262 1.00 11.13 C HETATM 608 CMC HEM A 80 0.722 4.468 -7.684 1.00 8.62 C HETATM 609 CAC HEM A 80 1.688 7.280 -6.455 1.00 3.39 C HETATM 610 CBC HEM A 80 0.591 8.113 -7.128 1.00 10.94 C HETATM 611 ND HEM A 80 0.705 5.706 -1.320 1.00 4.28 N HETATM 612 C1D HEM A 80 0.866 6.925 -1.950 1.00 5.02 C HETATM 613 C2D HEM A 80 0.912 7.991 -0.932 1.00 3.97 C HETATM 614 C3D HEM A 80 0.819 7.378 0.288 1.00 5.11 C HETATM 615 C4D HEM A 80 0.598 6.002 0.015 1.00 9.05 C HETATM 616 CMD HEM A 80 1.068 9.461 -1.211 1.00 5.28 C HETATM 617 CAD HEM A 80 0.900 7.884 1.728 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.430 8.364 2.303 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.813 9.722 1.754 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.435 10.712 2.373 1.00 8.25 O HETATM 621 O2D HEM A 80 -1.524 9.779 0.753 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.398 -0.385 1.755 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.289 0.542 3.270 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.192 -0.052 2.483 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.642 -1.868 -3.414 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.429 -1.411 -1.707 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.088 -2.168 -2.599 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.406 5.316 -8.292 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.005 3.655 -7.795 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.705 4.132 -8.013 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.648 9.599 -2.123 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.585 9.937 -0.377 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.084 9.914 -1.335 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.491 -1.679 -7.010 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.363 -0.985 -5.486 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.855 9.003 -7.699 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.453 7.815 -7.036 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.794 3.313 4.861 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.101 4.310 3.452 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.660 3.967 3.372 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.099 2.427 3.993 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.361 8.416 3.390 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.211 7.641 2.068 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.618 8.703 1.773 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.288 7.085 2.360 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.101 5.503 1.991 1.00 5.52 H new HETATM 0 HHB HEM A 80 0.062 -0.294 -0.435 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.187 2.242 -6.274 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.136 8.055 -3.738 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.763 -0.541 -6.218 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.748 7.527 -6.511 1.00 3.39 H new