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 41 MET CE :methyl -164:sc= -0.337 (180deg=-0.619) USER MOD Set 1.2: A 76 MET CE :methyl -121:sc= -0.547 (180deg=-4.97!) USER MOD Set 1.3: A 80 HEM CMA :methyl -30:sc= -3.03 (180deg=-6.52!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 174:sc= 1.06 (180deg=0.959) USER MOD Set 2.2: A 49 TYR OH : rot -177:sc= 1.22 USER MOD Single : A 1 ALA N :NH3+ -124:sc= 0.214 (180deg=0.00162) USER MOD Single : A 7 TYR OH : rot 165:sc= -0.708 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0157) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -92:sc= 1.36 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 0.538 (180deg=0.455) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -59:sc= 0.273 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0.612 (180deg=0.301) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0.85 (180deg=0.79) USER MOD Single : A 32 GLN : amide:sc= 1.36 K(o=1.4,f=-3.6!) USER MOD Single : A 38 TYR OH : rot 4:sc= 1.17 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0.759 (180deg=0.723) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0.982 (180deg=0.814) USER MOD Single : A 44 TYR OH : rot 45:sc= 1.24 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= -0.0012 (180deg=-0.0952) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 166:sc= -2.5 (180deg=-3.18) USER MOD Single : A 58 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 59 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -149:sc= 0.705 (180deg=0.44) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -107:sc= 1.23 USER MOD Single : A 65 SER OG : rot 9:sc= 0.269 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0563) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 76:sc= 1.18 USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= 0.64 (180deg=0.462) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -2.96! (180deg=-5.34!) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.486 (180deg=-0.486) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.131 (180deg=-4.17!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.045 -14.867 -5.350 1.00 0.00 N ATOM 2 CA ALA A 1 3.622 -15.116 -5.636 1.00 0.00 C ATOM 3 C ALA A 1 2.855 -13.901 -5.127 1.00 0.00 C ATOM 4 O ALA A 1 3.473 -12.838 -5.053 1.00 0.00 O ATOM 5 CB ALA A 1 3.158 -16.427 -4.989 1.00 0.00 C ATOM 0 H1 ALA A 1 5.593 -14.935 -6.231 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.156 -13.915 -4.946 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.392 -15.574 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 1 3.442 -15.241 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.104 -16.590 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.746 -17.256 -5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.294 -16.368 -3.909 1.00 0.00 H new ATOM 6 N ASP A 2 1.566 -14.021 -4.805 1.00 0.00 N ATOM 7 CA ASP A 2 0.813 -12.908 -4.245 1.00 0.00 C ATOM 8 C ASP A 2 1.530 -12.500 -2.951 1.00 0.00 C ATOM 9 O ASP A 2 2.106 -13.357 -2.285 1.00 0.00 O ATOM 10 CB ASP A 2 -0.639 -13.327 -4.053 1.00 0.00 C ATOM 11 CG ASP A 2 -0.781 -14.411 -2.993 1.00 0.00 C ATOM 12 OD1 ASP A 2 -0.335 -15.540 -3.295 1.00 0.00 O ATOM 13 OD2 ASP A 2 -1.321 -14.086 -1.914 1.00 0.00 O ATOM 0 H ASP A 2 1.026 -14.878 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 2 0.778 -12.039 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.233 -12.459 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.041 -13.690 -4.999 1.00 0.00 H new ATOM 14 N GLY A 3 1.531 -11.208 -2.601 1.00 0.00 N ATOM 15 CA GLY A 3 2.333 -10.722 -1.507 1.00 0.00 C ATOM 16 C GLY A 3 3.722 -10.724 -2.126 1.00 0.00 C ATOM 17 O GLY A 3 4.500 -11.663 -1.982 1.00 0.00 O ATOM 0 H GLY A 3 0.979 -10.490 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.028 -9.726 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.272 -11.371 -0.634 1.00 0.00 H new ATOM 18 N ALA A 4 3.943 -9.642 -2.874 1.00 0.00 N ATOM 19 CA ALA A 4 5.074 -9.300 -3.719 1.00 0.00 C ATOM 20 C ALA A 4 4.551 -9.134 -5.140 1.00 0.00 C ATOM 21 O ALA A 4 5.068 -8.285 -5.861 1.00 0.00 O ATOM 22 CB ALA A 4 6.199 -10.345 -3.723 1.00 0.00 C ATOM 0 H ALA A 4 3.245 -8.899 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 4 5.514 -8.387 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.003 -10.011 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.584 -10.469 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.810 -11.297 -4.082 1.00 0.00 H new ATOM 23 N ALA A 5 3.502 -9.872 -5.548 1.00 0.00 N ATOM 24 CA ALA A 5 3.045 -9.738 -6.920 1.00 0.00 C ATOM 25 C ALA A 5 1.984 -8.662 -7.019 1.00 0.00 C ATOM 26 O ALA A 5 1.775 -8.139 -8.110 1.00 0.00 O ATOM 27 CB ALA A 5 2.510 -11.070 -7.450 1.00 0.00 C ATOM 0 H ALA A 5 2.984 -10.534 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 5 3.895 -9.446 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.174 -10.943 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.301 -11.819 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.673 -11.398 -6.833 1.00 0.00 H new ATOM 28 N LEU A 6 1.330 -8.289 -5.911 1.00 0.00 N ATOM 29 CA LEU A 6 0.291 -7.307 -6.018 1.00 0.00 C ATOM 30 C LEU A 6 0.927 -5.916 -5.866 1.00 0.00 C ATOM 31 O LEU A 6 0.361 -4.925 -6.323 1.00 0.00 O ATOM 32 CB LEU A 6 -0.742 -7.713 -4.964 1.00 0.00 C ATOM 33 CG LEU A 6 -1.441 -9.050 -5.264 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.915 -9.652 -3.938 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.634 -8.846 -6.205 1.00 0.00 C ATOM 0 H LEU A 6 1.506 -8.647 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.225 -7.257 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.250 -7.780 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.495 -6.929 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.741 -9.723 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.414 -10.602 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.057 -9.817 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.611 -8.966 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.111 -9.806 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.353 -8.172 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.287 -8.414 -7.144 1.00 0.00 H new ATOM 36 N TYR A 7 2.117 -5.831 -5.243 1.00 0.00 N ATOM 37 CA TYR A 7 2.788 -4.556 -5.009 1.00 0.00 C ATOM 38 C TYR A 7 3.641 -4.049 -6.181 1.00 0.00 C ATOM 39 O TYR A 7 4.093 -2.906 -6.148 1.00 0.00 O ATOM 40 CB TYR A 7 3.638 -4.668 -3.732 1.00 0.00 C ATOM 41 CG TYR A 7 3.926 -3.340 -3.054 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.877 -2.458 -2.734 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.234 -3.015 -2.661 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.149 -1.204 -2.173 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.495 -1.791 -2.027 1.00 0.00 C ATOM 46 CZ TYR A 7 4.473 -0.840 -1.893 1.00 0.00 C ATOM 47 OH TYR A 7 4.759 0.404 -1.425 1.00 0.00 O ATOM 0 H TYR A 7 2.630 -6.641 -4.894 1.00 0.00 H new ATOM 0 HA TYR A 7 2.002 -3.809 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.126 -5.320 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.584 -5.148 -3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.855 -2.750 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.041 -3.708 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.342 -0.520 -1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.482 -1.581 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 7 5.669 0.415 -1.060 1.00 0.00 H new ATOM 48 N LYS A 8 3.868 -4.852 -7.224 1.00 0.00 N ATOM 49 CA LYS A 8 4.702 -4.439 -8.350 1.00 0.00 C ATOM 50 C LYS A 8 4.282 -3.078 -8.922 1.00 0.00 C ATOM 51 O LYS A 8 5.110 -2.181 -9.061 1.00 0.00 O ATOM 52 CB LYS A 8 4.665 -5.507 -9.452 1.00 0.00 C ATOM 53 CG LYS A 8 5.122 -6.899 -8.992 1.00 0.00 C ATOM 54 CD LYS A 8 6.510 -6.938 -8.330 1.00 0.00 C ATOM 55 CE LYS A 8 7.633 -6.360 -9.200 1.00 0.00 C ATOM 56 NZ LYS A 8 7.737 -7.054 -10.496 1.00 0.00 N ATOM 0 H LYS A 8 3.484 -5.793 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 8 5.720 -4.331 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.648 -5.580 -9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.298 -5.183 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.388 -7.292 -8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.127 -7.567 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.469 -6.384 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.753 -7.971 -8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.451 -5.299 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.581 -6.439 -8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.550 -6.680 -11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.869 -8.073 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.866 -6.900 -11.043 1.00 0.00 H new ATOM 57 N SER A 9 2.989 -2.878 -9.180 1.00 0.00 N ATOM 58 CA SER A 9 2.435 -1.654 -9.758 1.00 0.00 C ATOM 59 C SER A 9 2.340 -0.498 -8.753 1.00 0.00 C ATOM 60 O SER A 9 1.486 0.372 -8.902 1.00 0.00 O ATOM 61 CB SER A 9 1.040 -1.986 -10.302 1.00 0.00 C ATOM 62 OG SER A 9 1.078 -3.204 -11.021 1.00 0.00 O ATOM 0 H SER A 9 2.278 -3.584 -8.987 1.00 0.00 H new ATOM 0 HA SER A 9 3.107 -1.314 -10.546 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.329 -2.062 -9.480 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.693 -1.182 -10.951 1.00 0.00 H new ATOM 0 HG SER A 9 0.183 -3.410 -11.364 1.00 0.00 H new ATOM 63 N CYS A 10 3.208 -0.488 -7.743 1.00 0.00 N ATOM 64 CA CYS A 10 3.261 0.489 -6.664 1.00 0.00 C ATOM 65 C CYS A 10 4.693 0.988 -6.519 1.00 0.00 C ATOM 66 O CYS A 10 4.939 2.169 -6.254 1.00 0.00 O ATOM 67 CB CYS A 10 2.798 -0.193 -5.375 1.00 0.00 C ATOM 68 SG CYS A 10 1.390 -1.330 -5.556 1.00 0.00 S ATOM 0 H CYS A 10 3.931 -1.201 -7.653 1.00 0.00 H new ATOM 0 HA CYS A 10 2.613 1.339 -6.876 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.638 -0.746 -4.955 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.530 0.578 -4.652 1.00 0.00 H new ATOM 69 N ILE A 11 5.634 0.060 -6.730 1.00 0.00 N ATOM 70 CA ILE A 11 7.072 0.266 -6.698 1.00 0.00 C ATOM 71 C ILE A 11 7.453 1.534 -7.472 1.00 0.00 C ATOM 72 O ILE A 11 8.397 2.218 -7.090 1.00 0.00 O ATOM 73 CB ILE A 11 7.743 -0.993 -7.284 1.00 0.00 C ATOM 74 CG1 ILE A 11 7.471 -2.263 -6.450 1.00 0.00 C ATOM 75 CG2 ILE A 11 9.251 -0.795 -7.413 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.712 -2.147 -4.939 1.00 0.00 C ATOM 0 H ILE A 11 5.389 -0.908 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 11 7.417 0.414 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 11 7.299 -1.138 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.435 -2.562 -6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.098 -3.067 -6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.702 -1.696 -7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.452 0.049 -8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.677 -0.596 -6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.488 -3.100 -4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.754 -1.885 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.066 -1.373 -4.526 1.00 0.00 H new ATOM 77 N GLY A 12 6.733 1.866 -8.547 1.00 0.00 N ATOM 78 CA GLY A 12 6.995 3.069 -9.323 1.00 0.00 C ATOM 79 C GLY A 12 7.036 4.328 -8.445 1.00 0.00 C ATOM 80 O GLY A 12 7.936 5.152 -8.595 1.00 0.00 O ATOM 0 H GLY A 12 5.956 1.307 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.945 2.962 -9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.223 3.184 -10.084 1.00 0.00 H new ATOM 81 N CYS A 13 6.073 4.480 -7.526 1.00 0.00 N ATOM 82 CA CYS A 13 6.012 5.647 -6.646 1.00 0.00 C ATOM 83 C CYS A 13 6.781 5.404 -5.353 1.00 0.00 C ATOM 84 O CYS A 13 7.482 6.295 -4.885 1.00 0.00 O ATOM 85 CB CYS A 13 4.565 6.000 -6.262 1.00 0.00 C ATOM 86 SG CYS A 13 3.617 6.997 -7.440 1.00 0.00 S ATOM 0 H CYS A 13 5.324 3.804 -7.375 1.00 0.00 H new ATOM 0 HA CYS A 13 6.457 6.469 -7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.023 5.069 -6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.588 6.532 -5.311 1.00 0.00 H new ATOM 87 N HIS A 14 6.625 4.219 -4.759 1.00 0.00 N ATOM 88 CA HIS A 14 7.165 3.833 -3.486 1.00 0.00 C ATOM 89 C HIS A 14 8.634 3.397 -3.467 1.00 0.00 C ATOM 90 O HIS A 14 9.331 3.618 -2.478 1.00 0.00 O ATOM 91 CB HIS A 14 6.223 2.701 -3.094 1.00 0.00 C ATOM 92 CG HIS A 14 4.916 3.206 -2.553 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.839 3.917 -1.367 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.630 3.145 -3.030 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.560 4.289 -1.213 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.760 3.776 -2.149 1.00 0.00 N ATOM 0 H HIS A 14 6.084 3.471 -5.192 1.00 0.00 H new ATOM 0 HA HIS A 14 7.205 4.678 -2.799 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.034 2.071 -3.963 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.705 2.073 -2.345 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.610 4.120 -0.731 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.337 2.674 -3.957 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.215 4.934 -0.418 1.00 0.00 H new ATOM 97 N GLY A 15 9.127 2.781 -4.535 1.00 0.00 N ATOM 98 CA GLY A 15 10.491 2.279 -4.600 1.00 0.00 C ATOM 99 C GLY A 15 10.509 0.804 -4.202 1.00 0.00 C ATOM 100 O GLY A 15 9.596 0.324 -3.531 1.00 0.00 O ATOM 0 H GLY A 15 8.587 2.616 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.887 2.400 -5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.134 2.854 -3.934 1.00 0.00 H new ATOM 101 N ALA A 16 11.559 0.084 -4.611 1.00 0.00 N ATOM 102 CA ALA A 16 11.743 -1.346 -4.369 1.00 0.00 C ATOM 103 C ALA A 16 11.443 -1.764 -2.926 1.00 0.00 C ATOM 104 O ALA A 16 10.809 -2.792 -2.697 1.00 0.00 O ATOM 105 CB ALA A 16 13.183 -1.723 -4.729 1.00 0.00 C ATOM 0 H ALA A 16 12.329 0.497 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 16 11.027 -1.878 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.335 -2.788 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.366 -1.499 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.874 -1.151 -4.110 1.00 0.00 H new ATOM 106 N ASP A 17 11.914 -0.966 -1.964 1.00 0.00 N ATOM 107 CA ASP A 17 11.801 -1.136 -0.544 1.00 0.00 C ATOM 108 C ASP A 17 10.844 -0.099 0.052 1.00 0.00 C ATOM 109 O ASP A 17 10.997 0.254 1.211 1.00 0.00 O ATOM 110 CB ASP A 17 13.197 -1.029 0.091 1.00 0.00 C ATOM 111 CG ASP A 17 13.794 0.370 -0.025 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.566 1.004 -1.082 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.465 0.796 0.938 1.00 0.00 O ATOM 0 H ASP A 17 12.426 -0.115 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 17 11.388 -2.122 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.135 -1.306 1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.865 -1.745 -0.388 1.00 0.00 H new ATOM 114 N GLY A 18 9.880 0.412 -0.726 1.00 0.00 N ATOM 115 CA GLY A 18 8.885 1.392 -0.292 1.00 0.00 C ATOM 116 C GLY A 18 9.456 2.535 0.546 1.00 0.00 C ATOM 117 O GLY A 18 8.835 2.955 1.525 1.00 0.00 O ATOM 0 H GLY A 18 9.771 0.144 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.396 1.810 -1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.116 0.881 0.287 1.00 0.00 H new ATOM 118 N SER A 19 10.627 3.036 0.152 1.00 0.00 N ATOM 119 CA SER A 19 11.351 4.098 0.824 1.00 0.00 C ATOM 120 C SER A 19 10.985 5.481 0.287 1.00 0.00 C ATOM 121 O SER A 19 11.031 6.458 1.032 1.00 0.00 O ATOM 122 CB SER A 19 12.841 3.843 0.601 1.00 0.00 C ATOM 123 OG SER A 19 13.068 3.613 -0.781 1.00 0.00 O ATOM 0 H SER A 19 11.111 2.694 -0.678 1.00 0.00 H new ATOM 0 HA SER A 19 11.091 4.091 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.425 4.698 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.167 2.982 1.185 1.00 0.00 H new ATOM 0 HG SER A 19 13.018 2.652 -0.965 1.00 0.00 H new ATOM 124 N LYS A 20 10.656 5.582 -1.003 1.00 0.00 N ATOM 125 CA LYS A 20 10.330 6.855 -1.615 1.00 0.00 C ATOM 126 C LYS A 20 9.058 7.413 -0.983 1.00 0.00 C ATOM 127 O LYS A 20 8.003 6.774 -1.015 1.00 0.00 O ATOM 128 CB LYS A 20 10.129 6.701 -3.126 1.00 0.00 C ATOM 129 CG LYS A 20 11.362 6.174 -3.872 1.00 0.00 C ATOM 130 CD LYS A 20 11.023 5.808 -5.327 1.00 0.00 C ATOM 131 CE LYS A 20 10.586 7.011 -6.173 1.00 0.00 C ATOM 132 NZ LYS A 20 10.278 6.608 -7.558 1.00 0.00 N ATOM 0 H LYS A 20 10.611 4.787 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 20 11.159 7.542 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.294 6.024 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.850 7.668 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.148 6.929 -3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.754 5.297 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.895 5.345 -5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.227 5.063 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.708 7.475 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.376 7.762 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.218 7.454 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.029 5.983 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.369 6.103 -7.579 1.00 0.00 H new ATOM 133 N ALA A 21 9.159 8.613 -0.411 1.00 0.00 N ATOM 134 CA ALA A 21 8.023 9.289 0.184 1.00 0.00 C ATOM 135 C ALA A 21 7.163 9.793 -0.975 1.00 0.00 C ATOM 136 O ALA A 21 7.267 10.939 -1.401 1.00 0.00 O ATOM 137 CB ALA A 21 8.512 10.403 1.114 1.00 0.00 C ATOM 0 H ALA A 21 10.032 9.137 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 21 7.421 8.630 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.655 10.908 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.130 9.974 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.100 11.121 0.543 1.00 0.00 H new ATOM 138 N ALA A 22 6.342 8.891 -1.511 1.00 0.00 N ATOM 139 CA ALA A 22 5.491 9.116 -2.659 1.00 0.00 C ATOM 140 C ALA A 22 4.642 10.384 -2.585 1.00 0.00 C ATOM 141 O ALA A 22 4.172 10.757 -1.514 1.00 0.00 O ATOM 142 CB ALA A 22 4.607 7.886 -2.857 1.00 0.00 C ATOM 0 H ALA A 22 6.254 7.947 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 22 6.147 9.273 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.958 8.039 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.234 7.011 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.997 7.729 -1.967 1.00 0.00 H new ATOM 143 N MET A 23 4.437 10.987 -3.764 1.00 0.00 N ATOM 144 CA MET A 23 3.671 12.194 -4.074 1.00 0.00 C ATOM 145 C MET A 23 3.582 13.200 -2.924 1.00 0.00 C ATOM 146 O MET A 23 4.400 14.111 -2.838 1.00 0.00 O ATOM 147 CB MET A 23 2.270 11.797 -4.573 1.00 0.00 C ATOM 148 CG MET A 23 2.267 11.395 -6.049 1.00 0.00 C ATOM 149 SD MET A 23 2.520 12.770 -7.200 1.00 0.00 S ATOM 150 CE MET A 23 2.226 11.918 -8.766 1.00 0.00 C ATOM 0 H MET A 23 4.849 10.597 -4.611 1.00 0.00 H new ATOM 0 HA MET A 23 4.217 12.717 -4.859 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.895 10.968 -3.973 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.585 12.632 -4.426 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.048 10.652 -6.212 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.316 10.914 -6.280 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.341 12.622 -9.590 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.944 11.106 -8.879 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.215 11.512 -8.775 1.00 0.00 H new ATOM 151 N GLY A 24 2.564 13.063 -2.072 1.00 0.00 N ATOM 152 CA GLY A 24 2.329 13.957 -0.952 1.00 0.00 C ATOM 153 C GLY A 24 3.537 14.099 -0.030 1.00 0.00 C ATOM 154 O GLY A 24 3.754 15.163 0.543 1.00 0.00 O ATOM 0 H GLY A 24 1.874 12.316 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.053 14.941 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.481 13.590 -0.374 1.00 0.00 H new ATOM 155 N SER A 25 4.286 13.002 0.098 1.00 0.00 N ATOM 156 CA SER A 25 5.477 12.753 0.895 1.00 0.00 C ATOM 157 C SER A 25 5.119 11.572 1.794 1.00 0.00 C ATOM 158 O SER A 25 5.153 11.709 3.017 1.00 0.00 O ATOM 159 CB SER A 25 5.937 13.973 1.713 1.00 0.00 C ATOM 160 OG SER A 25 7.060 13.629 2.501 1.00 0.00 O ATOM 0 H SER A 25 4.034 12.163 -0.425 1.00 0.00 H new ATOM 0 HA SER A 25 6.328 12.538 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.190 14.796 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.125 14.320 2.353 1.00 0.00 H new ATOM 0 HG SER A 25 6.823 12.895 3.105 1.00 0.00 H new ATOM 161 N ALA A 26 4.778 10.414 1.206 1.00 0.00 N ATOM 162 CA ALA A 26 4.373 9.266 1.985 1.00 0.00 C ATOM 163 C ALA A 26 5.334 8.912 3.112 1.00 0.00 C ATOM 164 O ALA A 26 6.548 8.877 2.931 1.00 0.00 O ATOM 165 CB ALA A 26 4.207 8.054 1.065 1.00 0.00 C ATOM 0 H ALA A 26 4.779 10.263 0.197 1.00 0.00 H new ATOM 0 HA ALA A 26 3.428 9.537 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.902 7.189 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.446 8.269 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.155 7.840 0.571 1.00 0.00 H new ATOM 166 N LYS A 27 4.773 8.647 4.291 1.00 0.00 N ATOM 167 CA LYS A 27 5.541 8.178 5.429 1.00 0.00 C ATOM 168 C LYS A 27 6.143 6.865 4.915 1.00 0.00 C ATOM 169 O LYS A 27 5.347 6.032 4.484 1.00 0.00 O ATOM 170 CB LYS A 27 4.599 7.916 6.614 1.00 0.00 C ATOM 171 CG LYS A 27 3.815 9.168 7.037 1.00 0.00 C ATOM 172 CD LYS A 27 2.745 8.853 8.097 1.00 0.00 C ATOM 173 CE LYS A 27 1.692 7.822 7.653 1.00 0.00 C ATOM 174 NZ LYS A 27 1.104 8.140 6.339 1.00 0.00 N ATOM 0 H LYS A 27 3.776 8.753 4.478 1.00 0.00 H new ATOM 0 HA LYS A 27 6.294 8.884 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.897 7.126 6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.180 7.553 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.507 9.912 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.338 9.609 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.239 8.485 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.237 9.778 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.151 6.834 7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.899 7.774 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.279 7.530 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.807 9.137 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.811 7.978 5.594 1.00 0.00 H new ATOM 175 N PRO A 28 7.476 6.684 4.878 1.00 0.00 N ATOM 176 CA PRO A 28 8.131 5.491 4.354 1.00 0.00 C ATOM 177 C PRO A 28 7.307 4.218 4.556 1.00 0.00 C ATOM 178 O PRO A 28 7.228 3.705 5.669 1.00 0.00 O ATOM 179 CB PRO A 28 9.488 5.448 5.057 1.00 0.00 C ATOM 180 CG PRO A 28 9.831 6.936 5.138 1.00 0.00 C ATOM 181 CD PRO A 28 8.475 7.594 5.416 1.00 0.00 C ATOM 0 HA PRO A 28 8.245 5.539 3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.426 4.986 6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.228 4.886 4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.548 7.141 5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.272 7.299 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.327 7.749 6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.410 8.572 4.940 1.00 0.00 H new ATOM 182 N VAL A 29 6.661 3.740 3.481 1.00 0.00 N ATOM 183 CA VAL A 29 5.824 2.547 3.510 1.00 0.00 C ATOM 184 C VAL A 29 6.661 1.391 4.089 1.00 0.00 C ATOM 185 O VAL A 29 6.121 0.508 4.750 1.00 0.00 O ATOM 186 CB VAL A 29 5.262 2.267 2.102 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.983 0.784 1.864 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.930 3.009 1.926 1.00 0.00 C ATOM 0 H VAL A 29 6.710 4.180 2.562 1.00 0.00 H new ATOM 0 HA VAL A 29 4.954 2.678 4.154 1.00 0.00 H new ATOM 0 HB VAL A 29 6.018 2.604 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.589 0.645 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.908 0.218 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.253 0.430 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.532 2.811 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.219 2.663 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.092 4.080 2.046 1.00 0.00 H new ATOM 189 N LYS A 30 7.969 1.379 3.800 1.00 0.00 N ATOM 190 CA LYS A 30 8.987 0.461 4.295 1.00 0.00 C ATOM 191 C LYS A 30 8.811 0.046 5.747 1.00 0.00 C ATOM 192 O LYS A 30 9.318 0.643 6.693 1.00 0.00 O ATOM 193 CB LYS A 30 10.345 1.120 4.102 1.00 0.00 C ATOM 194 CG LYS A 30 11.585 0.211 4.167 1.00 0.00 C ATOM 195 CD LYS A 30 11.987 -0.201 5.590 1.00 0.00 C ATOM 196 CE LYS A 30 13.449 -0.658 5.653 1.00 0.00 C ATOM 197 NZ LYS A 30 13.718 -1.781 4.738 1.00 0.00 N ATOM 0 H LYS A 30 8.368 2.068 3.163 1.00 0.00 H new ATOM 0 HA LYS A 30 8.896 -0.463 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.343 1.620 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.455 1.895 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.394 -0.688 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.424 0.725 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.838 0.639 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.338 -1.007 5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.101 0.178 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.692 -0.956 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.699 -2.102 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.068 -2.565 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.577 -1.470 3.756 1.00 0.00 H new ATOM 198 N GLY A 31 8.081 -1.044 5.862 1.00 0.00 N ATOM 199 CA GLY A 31 7.772 -1.722 7.099 1.00 0.00 C ATOM 200 C GLY A 31 6.915 -0.842 7.986 1.00 0.00 C ATOM 201 O GLY A 31 7.161 -0.756 9.186 1.00 0.00 O ATOM 0 H GLY A 31 7.667 -1.503 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.249 -2.655 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.694 -1.983 7.618 1.00 0.00 H new ATOM 202 N GLN A 32 5.899 -0.198 7.392 1.00 0.00 N ATOM 203 CA GLN A 32 4.995 0.668 8.139 1.00 0.00 C ATOM 204 C GLN A 32 4.456 -0.136 9.341 1.00 0.00 C ATOM 205 O GLN A 32 4.371 0.351 10.464 1.00 0.00 O ATOM 206 CB GLN A 32 3.894 1.259 7.236 1.00 0.00 C ATOM 207 CG GLN A 32 4.046 2.778 6.966 1.00 0.00 C ATOM 208 CD GLN A 32 2.969 3.328 6.014 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.866 2.790 5.999 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.241 4.369 5.211 1.00 0.00 N ATOM 0 H GLN A 32 5.689 -0.265 6.396 1.00 0.00 H new ATOM 0 HA GLN A 32 5.524 1.541 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.897 0.729 6.283 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.924 1.078 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.997 3.317 7.912 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.031 2.970 6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.163 4.805 5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.526 4.724 4.576 1.00 0.00 H new ATOM 211 N GLY A 33 4.102 -1.391 9.057 1.00 0.00 N ATOM 212 CA GLY A 33 3.681 -2.440 9.971 1.00 0.00 C ATOM 213 C GLY A 33 3.463 -3.686 9.108 1.00 0.00 C ATOM 214 O GLY A 33 4.383 -4.137 8.433 1.00 0.00 O ATOM 0 H GLY A 33 4.105 -1.723 8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.438 -2.621 10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.765 -2.160 10.491 1.00 0.00 H new ATOM 215 N ALA A 34 2.232 -4.194 9.099 1.00 0.00 N ATOM 216 CA ALA A 34 1.686 -5.299 8.309 1.00 0.00 C ATOM 217 C ALA A 34 0.192 -5.153 8.526 1.00 0.00 C ATOM 218 O ALA A 34 -0.556 -4.909 7.591 1.00 0.00 O ATOM 219 CB ALA A 34 2.184 -6.692 8.702 1.00 0.00 C ATOM 0 H ALA A 34 1.516 -3.800 9.709 1.00 0.00 H new ATOM 0 HA ALA A 34 2.004 -5.234 7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.721 -7.439 8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.267 -6.737 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.919 -6.894 9.740 1.00 0.00 H new ATOM 220 N GLU A 35 -0.221 -5.217 9.793 1.00 0.00 N ATOM 221 CA GLU A 35 -1.544 -4.974 10.254 1.00 0.00 C ATOM 222 C GLU A 35 -1.867 -3.516 9.908 1.00 0.00 C ATOM 223 O GLU A 35 -2.954 -3.205 9.444 1.00 0.00 O ATOM 224 CB GLU A 35 -1.539 -5.234 11.767 1.00 0.00 C ATOM 225 CG GLU A 35 -0.244 -5.454 12.580 1.00 0.00 C ATOM 226 CD GLU A 35 0.612 -4.194 12.706 1.00 0.00 C ATOM 227 OE1 GLU A 35 1.171 -3.788 11.664 1.00 0.00 O ATOM 228 OE2 GLU A 35 0.677 -3.649 13.828 1.00 0.00 O ATOM 0 H GLU A 35 0.416 -5.456 10.553 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.300 -5.613 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.053 -4.390 12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.160 -6.114 11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.505 -5.809 13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.345 -6.239 12.106 1.00 0.00 H new ATOM 229 N GLU A 36 -0.887 -2.634 10.137 1.00 0.00 N ATOM 230 CA GLU A 36 -0.940 -1.211 9.848 1.00 0.00 C ATOM 231 C GLU A 36 -1.260 -1.030 8.361 1.00 0.00 C ATOM 232 O GLU A 36 -2.320 -0.530 7.991 1.00 0.00 O ATOM 233 CB GLU A 36 0.428 -0.604 10.241 1.00 0.00 C ATOM 234 CG GLU A 36 0.455 0.922 10.353 1.00 0.00 C ATOM 235 CD GLU A 36 -0.576 1.443 11.348 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.282 1.377 12.561 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.647 1.884 10.878 1.00 0.00 O ATOM 0 H GLU A 36 0.003 -2.915 10.548 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.718 -0.698 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.735 -1.028 11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.169 -0.912 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.450 1.245 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.266 1.360 9.373 1.00 0.00 H new ATOM 238 N LEU A 37 -0.326 -1.470 7.514 1.00 0.00 N ATOM 239 CA LEU A 37 -0.422 -1.434 6.062 1.00 0.00 C ATOM 240 C LEU A 37 -1.769 -2.002 5.585 1.00 0.00 C ATOM 241 O LEU A 37 -2.457 -1.402 4.765 1.00 0.00 O ATOM 242 CB LEU A 37 0.748 -2.264 5.515 1.00 0.00 C ATOM 243 CG LEU A 37 2.113 -1.585 5.729 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.236 -2.620 5.741 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.395 -0.611 4.590 1.00 0.00 C ATOM 0 H LEU A 37 0.551 -1.876 7.839 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.369 -0.408 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.753 -3.240 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.597 -2.438 4.450 1.00 0.00 H new ATOM 0 HG LEU A 37 2.076 -1.062 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.192 -2.118 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.067 -3.331 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.252 -3.150 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.363 -0.135 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.408 -1.152 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.616 0.151 4.562 1.00 0.00 H new ATOM 246 N TYR A 38 -2.148 -3.168 6.107 1.00 0.00 N ATOM 247 CA TYR A 38 -3.382 -3.866 5.776 1.00 0.00 C ATOM 248 C TYR A 38 -4.602 -3.038 6.149 1.00 0.00 C ATOM 249 O TYR A 38 -5.505 -2.887 5.335 1.00 0.00 O ATOM 250 CB TYR A 38 -3.367 -5.191 6.532 1.00 0.00 C ATOM 251 CG TYR A 38 -4.541 -6.145 6.405 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.318 -6.247 5.232 1.00 0.00 C ATOM 253 CD2 TYR A 38 -4.753 -7.053 7.458 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.315 -7.238 5.134 1.00 0.00 C ATOM 255 CE2 TYR A 38 -5.730 -8.051 7.349 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.509 -8.149 6.189 1.00 0.00 C ATOM 257 OH TYR A 38 -7.396 -9.179 6.100 1.00 0.00 O ATOM 0 H TYR A 38 -1.583 -3.666 6.795 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.443 -4.038 4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.473 -5.732 6.222 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.249 -4.960 7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.149 -5.567 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.159 -6.980 8.357 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.931 -7.298 4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.883 -8.746 8.161 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.789 -9.196 5.202 1.00 0.00 H new ATOM 258 N LYS A 39 -4.645 -2.509 7.372 1.00 0.00 N ATOM 259 CA LYS A 39 -5.747 -1.689 7.844 1.00 0.00 C ATOM 260 C LYS A 39 -5.862 -0.456 6.951 1.00 0.00 C ATOM 261 O LYS A 39 -6.961 -0.057 6.569 1.00 0.00 O ATOM 262 CB LYS A 39 -5.480 -1.309 9.307 1.00 0.00 C ATOM 263 CG LYS A 39 -6.540 -0.367 9.894 1.00 0.00 C ATOM 264 CD LYS A 39 -6.303 -0.103 11.390 1.00 0.00 C ATOM 265 CE LYS A 39 -4.888 0.400 11.716 1.00 0.00 C ATOM 266 NZ LYS A 39 -4.507 1.563 10.896 1.00 0.00 N ATOM 0 H LYS A 39 -3.907 -2.642 8.064 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.692 -2.230 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.438 -2.217 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.502 -0.833 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.527 0.578 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.530 -0.801 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.029 0.632 11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.488 -1.023 11.945 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.834 0.668 12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.172 -0.406 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.512 1.804 11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.630 1.333 9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.110 2.374 11.142 1.00 0.00 H new ATOM 267 N LYS A 40 -4.719 0.141 6.611 1.00 0.00 N ATOM 268 CA LYS A 40 -4.658 1.320 5.779 1.00 0.00 C ATOM 269 C LYS A 40 -5.240 1.015 4.398 1.00 0.00 C ATOM 270 O LYS A 40 -6.135 1.719 3.922 1.00 0.00 O ATOM 271 CB LYS A 40 -3.191 1.749 5.730 1.00 0.00 C ATOM 272 CG LYS A 40 -2.854 2.671 6.908 1.00 0.00 C ATOM 273 CD LYS A 40 -1.342 2.732 7.148 1.00 0.00 C ATOM 274 CE LYS A 40 -0.927 3.977 7.941 1.00 0.00 C ATOM 275 NZ LYS A 40 -1.737 4.164 9.157 1.00 0.00 N ATOM 0 H LYS A 40 -3.804 -0.193 6.915 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.256 2.139 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.549 0.869 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.989 2.263 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.234 3.673 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.354 2.313 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.026 1.839 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.824 2.726 6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.124 3.895 8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.022 4.858 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.354 4.957 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.721 4.371 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.709 3.296 9.730 1.00 0.00 H new ATOM 276 N MET A 41 -4.755 -0.049 3.753 1.00 0.00 N ATOM 277 CA MET A 41 -5.259 -0.420 2.446 1.00 0.00 C ATOM 278 C MET A 41 -6.711 -0.849 2.520 1.00 0.00 C ATOM 279 O MET A 41 -7.442 -0.563 1.588 1.00 0.00 O ATOM 280 CB MET A 41 -4.438 -1.537 1.827 1.00 0.00 C ATOM 281 CG MET A 41 -3.070 -1.009 1.420 1.00 0.00 C ATOM 282 SD MET A 41 -2.196 -2.112 0.303 1.00 0.00 S ATOM 283 CE MET A 41 -1.985 -3.503 1.426 1.00 0.00 C ATOM 0 H MET A 41 -4.022 -0.658 4.117 1.00 0.00 H new ATOM 0 HA MET A 41 -5.179 0.466 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.325 -2.355 2.539 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.955 -1.941 0.957 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.189 -0.037 0.942 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.466 -0.853 2.314 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.227 -4.178 1.030 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.671 -3.137 2.403 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.930 -4.037 1.525 1.00 0.00 H new ATOM 284 N LYS A 42 -7.143 -1.555 3.566 1.00 0.00 N ATOM 285 CA LYS A 42 -8.541 -1.942 3.698 1.00 0.00 C ATOM 286 C LYS A 42 -9.358 -0.649 3.740 1.00 0.00 C ATOM 287 O LYS A 42 -10.372 -0.512 3.058 1.00 0.00 O ATOM 288 CB LYS A 42 -8.732 -2.811 4.946 1.00 0.00 C ATOM 289 CG LYS A 42 -10.156 -3.374 5.009 1.00 0.00 C ATOM 290 CD LYS A 42 -10.275 -4.384 6.158 1.00 0.00 C ATOM 291 CE LYS A 42 -11.702 -4.928 6.279 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.106 -5.680 5.078 1.00 0.00 N ATOM 0 H LYS A 42 -6.544 -1.868 4.330 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.878 -2.550 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.013 -3.630 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.531 -2.220 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.870 -2.563 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.407 -3.856 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.582 -5.209 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.985 -3.908 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.771 -5.575 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.394 -4.101 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.020 -6.145 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.196 -5.027 4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.387 -6.400 4.861 1.00 0.00 H new ATOM 293 N GLY A 43 -8.870 0.321 4.516 1.00 0.00 N ATOM 294 CA GLY A 43 -9.469 1.630 4.627 1.00 0.00 C ATOM 295 C GLY A 43 -9.644 2.233 3.234 1.00 0.00 C ATOM 296 O GLY A 43 -10.761 2.571 2.855 1.00 0.00 O ATOM 0 H GLY A 43 -8.034 0.206 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.435 1.558 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.841 2.278 5.239 1.00 0.00 H new ATOM 297 N TYR A 44 -8.565 2.353 2.450 1.00 0.00 N ATOM 298 CA TYR A 44 -8.672 2.913 1.104 1.00 0.00 C ATOM 299 C TYR A 44 -9.571 2.047 0.211 1.00 0.00 C ATOM 300 O TYR A 44 -10.403 2.580 -0.516 1.00 0.00 O ATOM 301 CB TYR A 44 -7.284 3.050 0.466 1.00 0.00 C ATOM 302 CG TYR A 44 -6.380 4.143 1.004 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.849 5.465 1.157 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.008 3.877 1.158 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.973 6.477 1.584 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.124 4.908 1.506 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.607 6.198 1.756 1.00 0.00 C ATOM 308 OH TYR A 44 -3.745 7.145 2.213 1.00 0.00 O ATOM 0 H TYR A 44 -7.623 2.073 2.722 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.124 3.901 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.766 2.098 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.418 3.218 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.882 5.699 0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.634 2.875 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.350 7.470 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.066 4.706 1.582 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.149 7.616 2.972 1.00 0.00 H new ATOM 309 N ALA A 45 -9.423 0.722 0.273 1.00 0.00 N ATOM 310 CA ALA A 45 -10.183 -0.253 -0.501 1.00 0.00 C ATOM 311 C ALA A 45 -11.677 0.045 -0.350 1.00 0.00 C ATOM 312 O ALA A 45 -12.415 0.091 -1.332 1.00 0.00 O ATOM 313 CB ALA A 45 -9.892 -1.678 -0.024 1.00 0.00 C ATOM 0 H ALA A 45 -8.740 0.284 0.891 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.889 -0.178 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.471 -2.386 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.829 -1.891 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.168 -1.774 1.026 1.00 0.00 H new ATOM 314 N ASP A 46 -12.098 0.277 0.900 1.00 0.00 N ATOM 315 CA ASP A 46 -13.477 0.569 1.275 1.00 0.00 C ATOM 316 C ASP A 46 -13.799 2.071 1.225 1.00 0.00 C ATOM 317 O ASP A 46 -14.878 2.470 1.656 1.00 0.00 O ATOM 318 CB ASP A 46 -13.729 0.032 2.696 1.00 0.00 C ATOM 319 CG ASP A 46 -13.519 -1.476 2.832 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.765 -2.190 1.835 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.132 -1.895 3.945 1.00 0.00 O ATOM 0 H ASP A 46 -11.464 0.265 1.699 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.130 0.080 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.066 0.546 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.750 0.275 2.991 1.00 0.00 H new ATOM 322 N GLY A 47 -12.891 2.918 0.728 1.00 0.00 N ATOM 323 CA GLY A 47 -13.089 4.360 0.636 1.00 0.00 C ATOM 324 C GLY A 47 -13.401 4.985 1.998 1.00 0.00 C ATOM 325 O GLY A 47 -14.220 5.895 2.092 1.00 0.00 O ATOM 0 H GLY A 47 -11.985 2.611 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.194 4.823 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.906 4.570 -0.055 1.00 0.00 H new ATOM 326 N SER A 48 -12.727 4.506 3.047 1.00 0.00 N ATOM 327 CA SER A 48 -12.898 4.940 4.423 1.00 0.00 C ATOM 328 C SER A 48 -11.538 5.240 5.075 1.00 0.00 C ATOM 329 O SER A 48 -11.286 4.864 6.217 1.00 0.00 O ATOM 330 CB SER A 48 -13.677 3.839 5.157 1.00 0.00 C ATOM 331 OG SER A 48 -14.370 4.356 6.277 1.00 0.00 O ATOM 0 H SER A 48 -12.021 3.776 2.950 1.00 0.00 H new ATOM 0 HA SER A 48 -13.460 5.872 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.386 3.374 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.989 3.059 5.482 1.00 0.00 H new ATOM 0 HG SER A 48 -14.858 3.632 6.723 1.00 0.00 H new ATOM 332 N TYR A 49 -10.639 5.900 4.340 1.00 0.00 N ATOM 333 CA TYR A 49 -9.324 6.317 4.817 1.00 0.00 C ATOM 334 C TYR A 49 -8.837 7.415 3.876 1.00 0.00 C ATOM 335 O TYR A 49 -9.369 7.545 2.773 1.00 0.00 O ATOM 336 CB TYR A 49 -8.356 5.128 4.897 1.00 0.00 C ATOM 337 CG TYR A 49 -6.972 5.449 5.437 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.829 6.087 6.684 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.823 5.116 4.697 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.559 6.497 7.124 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.554 5.542 5.129 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.426 6.261 6.329 1.00 0.00 C ATOM 343 OH TYR A 49 -3.198 6.623 6.796 1.00 0.00 O ATOM 0 H TYR A 49 -10.814 6.165 3.371 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.380 6.705 5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.804 4.359 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.248 4.701 3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.697 6.261 7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.916 4.531 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.454 6.995 8.077 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.678 5.316 4.538 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.520 6.434 6.114 1.00 0.00 H new ATOM 344 N GLY A 50 -7.856 8.213 4.311 1.00 0.00 N ATOM 345 CA GLY A 50 -7.334 9.324 3.535 1.00 0.00 C ATOM 346 C GLY A 50 -5.817 9.423 3.553 1.00 0.00 C ATOM 347 O GLY A 50 -5.118 8.580 4.109 1.00 0.00 O ATOM 0 H GLY A 50 -7.404 8.099 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.671 9.225 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.754 10.253 3.919 1.00 0.00 H new ATOM 348 N GLY A 51 -5.325 10.473 2.900 1.00 0.00 N ATOM 349 CA GLY A 51 -3.971 10.857 2.674 1.00 0.00 C ATOM 350 C GLY A 51 -3.990 11.976 1.645 1.00 0.00 C ATOM 351 O GLY A 51 -5.052 12.328 1.127 1.00 0.00 O ATOM 0 H GLY A 51 -5.962 11.145 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.506 11.194 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.386 10.011 2.313 1.00 0.00 H new ATOM 352 N GLU A 52 -2.816 12.517 1.356 1.00 0.00 N ATOM 353 CA GLU A 52 -2.631 13.607 0.408 1.00 0.00 C ATOM 354 C GLU A 52 -2.913 13.141 -1.026 1.00 0.00 C ATOM 355 O GLU A 52 -3.356 13.943 -1.847 1.00 0.00 O ATOM 356 CB GLU A 52 -1.216 14.174 0.595 1.00 0.00 C ATOM 357 CG GLU A 52 -0.767 15.209 -0.450 1.00 0.00 C ATOM 358 CD GLU A 52 -1.753 16.350 -0.687 1.00 0.00 C ATOM 359 OE1 GLU A 52 -2.370 16.794 0.304 1.00 0.00 O ATOM 360 OE2 GLU A 52 -1.847 16.768 -1.863 1.00 0.00 O ATOM 0 H GLU A 52 -1.945 12.203 1.784 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.346 14.407 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.156 14.633 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.508 13.345 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.187 15.632 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.592 14.697 -1.396 1.00 0.00 H new ATOM 361 N ARG A 53 -2.674 11.865 -1.345 1.00 0.00 N ATOM 362 CA ARG A 53 -2.947 11.327 -2.682 1.00 0.00 C ATOM 363 C ARG A 53 -3.817 10.067 -2.546 1.00 0.00 C ATOM 364 O ARG A 53 -3.708 9.112 -3.319 1.00 0.00 O ATOM 365 CB ARG A 53 -1.640 11.110 -3.476 1.00 0.00 C ATOM 366 CG ARG A 53 -1.892 11.086 -4.990 1.00 0.00 C ATOM 367 CD ARG A 53 -2.120 12.478 -5.601 1.00 0.00 C ATOM 368 NE ARG A 53 -0.917 13.322 -5.523 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.759 14.426 -4.774 1.00 0.00 C ATOM 370 NH1 ARG A 53 -1.665 14.796 -3.861 1.00 0.00 N ATOM 371 NH2 ARG A 53 0.338 15.168 -4.950 1.00 0.00 N ATOM 0 H ARG A 53 -2.290 11.182 -0.692 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.513 12.048 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.933 11.905 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.179 10.171 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.041 10.617 -5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.762 10.462 -5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.420 12.371 -6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.942 12.971 -5.082 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.122 13.040 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.504 14.234 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.516 15.640 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.035 14.892 -5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.479 16.010 -4.392 1.00 0.00 H new ATOM 372 N LYS A 54 -4.748 10.117 -1.584 1.00 0.00 N ATOM 373 CA LYS A 54 -5.697 9.060 -1.276 1.00 0.00 C ATOM 374 C LYS A 54 -6.466 8.588 -2.514 1.00 0.00 C ATOM 375 O LYS A 54 -6.859 7.429 -2.578 1.00 0.00 O ATOM 376 CB LYS A 54 -6.699 9.571 -0.233 1.00 0.00 C ATOM 377 CG LYS A 54 -7.453 10.850 -0.637 1.00 0.00 C ATOM 378 CD LYS A 54 -8.372 11.312 0.501 1.00 0.00 C ATOM 379 CE LYS A 54 -9.144 12.582 0.127 1.00 0.00 C ATOM 380 NZ LYS A 54 -8.245 13.734 -0.071 1.00 0.00 N ATOM 0 H LYS A 54 -4.858 10.931 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.130 8.212 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.427 8.785 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.167 9.758 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.740 11.638 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.042 10.664 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.076 10.517 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.778 11.498 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.714 12.405 -0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.864 12.814 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.810 14.602 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.612 13.826 0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.678 13.588 -0.931 1.00 0.00 H new ATOM 381 N ALA A 55 -6.729 9.482 -3.474 1.00 0.00 N ATOM 382 CA ALA A 55 -7.468 9.156 -4.687 1.00 0.00 C ATOM 383 C ALA A 55 -6.726 8.093 -5.498 1.00 0.00 C ATOM 384 O ALA A 55 -7.283 7.036 -5.807 1.00 0.00 O ATOM 385 CB ALA A 55 -7.677 10.430 -5.512 1.00 0.00 C ATOM 0 H ALA A 55 -6.431 10.456 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.442 8.746 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.230 10.189 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.241 11.155 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.709 10.854 -5.778 1.00 0.00 H new ATOM 386 N MET A 56 -5.467 8.380 -5.846 1.00 0.00 N ATOM 387 CA MET A 56 -4.631 7.458 -6.602 1.00 0.00 C ATOM 388 C MET A 56 -4.543 6.155 -5.819 1.00 0.00 C ATOM 389 O MET A 56 -4.767 5.077 -6.363 1.00 0.00 O ATOM 390 CB MET A 56 -3.230 8.050 -6.816 1.00 0.00 C ATOM 391 CG MET A 56 -3.248 9.276 -7.739 1.00 0.00 C ATOM 392 SD MET A 56 -3.761 8.952 -9.445 1.00 0.00 S ATOM 393 CE MET A 56 -3.631 10.621 -10.124 1.00 0.00 C ATOM 0 H MET A 56 -5.005 9.258 -5.609 1.00 0.00 H new ATOM 0 HA MET A 56 -5.066 7.279 -7.585 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.806 8.331 -5.852 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.577 7.288 -7.242 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.917 10.023 -7.311 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.250 9.714 -7.754 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.913 10.608 -11.177 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.297 11.289 -9.578 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.604 10.974 -10.027 1.00 0.00 H new ATOM 394 N MET A 57 -4.259 6.277 -4.521 1.00 0.00 N ATOM 395 CA MET A 57 -4.147 5.134 -3.637 1.00 0.00 C ATOM 396 C MET A 57 -5.399 4.258 -3.690 1.00 0.00 C ATOM 397 O MET A 57 -5.314 3.053 -3.913 1.00 0.00 O ATOM 398 CB MET A 57 -3.867 5.640 -2.212 1.00 0.00 C ATOM 399 CG MET A 57 -2.366 5.629 -1.921 1.00 0.00 C ATOM 400 SD MET A 57 -1.563 4.032 -2.209 1.00 0.00 S ATOM 401 CE MET A 57 -2.547 2.900 -1.196 1.00 0.00 C ATOM 0 H MET A 57 -4.102 7.174 -4.061 1.00 0.00 H new ATOM 0 HA MET A 57 -3.320 4.503 -3.964 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.258 6.651 -2.096 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.388 5.012 -1.489 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.882 6.383 -2.542 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.207 5.921 -0.883 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.319 1.871 -1.475 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.308 3.052 -0.144 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.607 3.094 -1.359 1.00 0.00 H new ATOM 402 N THR A 58 -6.571 4.856 -3.504 1.00 0.00 N ATOM 403 CA THR A 58 -7.828 4.132 -3.541 1.00 0.00 C ATOM 404 C THR A 58 -7.945 3.404 -4.874 1.00 0.00 C ATOM 405 O THR A 58 -8.181 2.201 -4.885 1.00 0.00 O ATOM 406 CB THR A 58 -8.991 5.105 -3.298 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.865 5.648 -2.000 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.350 4.410 -3.413 1.00 0.00 C ATOM 0 H THR A 58 -6.672 5.855 -3.324 1.00 0.00 H new ATOM 0 HA THR A 58 -7.865 3.383 -2.750 1.00 0.00 H new ATOM 0 HB THR A 58 -8.945 5.885 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.154 6.322 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.145 5.134 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.460 3.990 -4.413 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.414 3.611 -2.674 1.00 0.00 H new ATOM 409 N ASN A 59 -7.744 4.104 -5.995 1.00 0.00 N ATOM 410 CA ASN A 59 -7.818 3.459 -7.304 1.00 0.00 C ATOM 411 C ASN A 59 -6.835 2.283 -7.370 1.00 0.00 C ATOM 412 O ASN A 59 -7.161 1.230 -7.914 1.00 0.00 O ATOM 413 CB ASN A 59 -7.523 4.467 -8.424 1.00 0.00 C ATOM 414 CG ASN A 59 -8.733 5.339 -8.743 1.00 0.00 C ATOM 415 OD1 ASN A 59 -9.481 5.055 -9.671 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.946 6.413 -7.990 1.00 0.00 N ATOM 0 H ASN A 59 -7.532 5.101 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.830 3.079 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.687 5.101 -8.130 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.216 3.931 -9.322 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.744 7.019 -8.180 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.311 6.632 -7.222 1.00 0.00 H new ATOM 417 N ALA A 60 -5.641 2.454 -6.799 1.00 0.00 N ATOM 418 CA ALA A 60 -4.606 1.437 -6.799 1.00 0.00 C ATOM 419 C ALA A 60 -5.008 0.187 -6.006 1.00 0.00 C ATOM 420 O ALA A 60 -4.793 -0.919 -6.493 1.00 0.00 O ATOM 421 CB ALA A 60 -3.305 2.039 -6.249 1.00 0.00 C ATOM 0 H ALA A 60 -5.370 3.313 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.455 1.110 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.524 1.278 -6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.996 2.874 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.469 2.393 -5.231 1.00 0.00 H new ATOM 422 N VAL A 61 -5.588 0.324 -4.805 1.00 0.00 N ATOM 423 CA VAL A 61 -5.910 -0.859 -3.998 1.00 0.00 C ATOM 424 C VAL A 61 -7.307 -1.422 -4.270 1.00 0.00 C ATOM 425 O VAL A 61 -7.505 -2.626 -4.136 1.00 0.00 O ATOM 426 CB VAL A 61 -5.798 -0.554 -2.490 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.590 0.282 -2.097 1.00 0.00 C ATOM 428 CG2 VAL A 61 -7.033 0.083 -1.873 1.00 0.00 C ATOM 0 H VAL A 61 -5.838 1.217 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.177 -1.610 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.680 -1.558 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.595 0.445 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.677 -0.242 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.630 1.243 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.859 0.260 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.240 1.031 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.886 -0.584 -1.995 1.00 0.00 H new ATOM 429 N LYS A 62 -8.288 -0.582 -4.615 1.00 0.00 N ATOM 430 CA LYS A 62 -9.675 -1.005 -4.800 1.00 0.00 C ATOM 431 C LYS A 62 -9.825 -2.149 -5.805 1.00 0.00 C ATOM 432 O LYS A 62 -10.776 -2.920 -5.715 1.00 0.00 O ATOM 433 CB LYS A 62 -10.531 0.211 -5.182 1.00 0.00 C ATOM 434 CG LYS A 62 -12.022 -0.067 -4.976 1.00 0.00 C ATOM 435 CD LYS A 62 -12.841 1.213 -5.195 1.00 0.00 C ATOM 436 CE LYS A 62 -14.275 1.047 -4.680 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.334 1.086 -3.206 1.00 0.00 N ATOM 0 H LYS A 62 -8.139 0.414 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.031 -1.411 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.233 1.070 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.349 0.473 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.353 -0.841 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.192 -0.447 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.362 2.047 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.859 1.459 -6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.903 1.838 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.682 0.100 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.117 0.488 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.438 0.733 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.488 2.065 -2.891 1.00 0.00 H new ATOM 438 N LYS A 63 -8.901 -2.268 -6.760 1.00 0.00 N ATOM 439 CA LYS A 63 -8.942 -3.343 -7.743 1.00 0.00 C ATOM 440 C LYS A 63 -8.668 -4.716 -7.098 1.00 0.00 C ATOM 441 O LYS A 63 -8.922 -5.740 -7.727 1.00 0.00 O ATOM 442 CB LYS A 63 -7.968 -3.018 -8.885 1.00 0.00 C ATOM 443 CG LYS A 63 -6.487 -3.116 -8.499 1.00 0.00 C ATOM 444 CD LYS A 63 -5.633 -2.400 -9.553 1.00 0.00 C ATOM 445 CE LYS A 63 -4.141 -2.659 -9.320 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.303 -1.888 -10.254 1.00 0.00 N ATOM 0 H LYS A 63 -8.114 -1.629 -6.871 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.946 -3.413 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.161 -3.697 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.172 -2.009 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.326 -2.667 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.189 -4.162 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.914 -2.744 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.829 -1.328 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.881 -2.395 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.933 -3.723 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.300 -2.088 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.534 -2.158 -11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.483 -0.872 -10.124 1.00 0.00 H new ATOM 447 N TYR A 64 -8.122 -4.754 -5.875 1.00 0.00 N ATOM 448 CA TYR A 64 -7.832 -5.955 -5.128 1.00 0.00 C ATOM 449 C TYR A 64 -9.020 -6.279 -4.221 1.00 0.00 C ATOM 450 O TYR A 64 -10.133 -5.781 -4.370 1.00 0.00 O ATOM 451 CB TYR A 64 -6.524 -5.710 -4.347 1.00 0.00 C ATOM 452 CG TYR A 64 -5.316 -5.323 -5.181 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.100 -5.896 -6.449 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.369 -4.422 -4.657 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.981 -5.519 -7.208 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.229 -4.077 -5.402 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.040 -4.622 -6.684 1.00 0.00 C ATOM 458 OH TYR A 64 -1.978 -4.261 -7.454 1.00 0.00 O ATOM 0 H TYR A 64 -7.865 -3.906 -5.370 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.688 -6.821 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.703 -4.923 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.282 -6.615 -3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.795 -6.625 -6.838 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.520 -3.994 -3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.844 -5.922 -8.201 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.500 -3.395 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.167 -4.696 -7.117 1.00 0.00 H new ATOM 459 N SER A 65 -8.779 -7.181 -3.286 1.00 0.00 N ATOM 460 CA SER A 65 -9.721 -7.667 -2.288 1.00 0.00 C ATOM 461 C SER A 65 -8.954 -8.028 -1.018 1.00 0.00 C ATOM 462 O SER A 65 -7.770 -8.342 -1.084 1.00 0.00 O ATOM 463 CB SER A 65 -10.511 -8.841 -2.870 1.00 0.00 C ATOM 464 OG SER A 65 -11.381 -8.353 -3.874 1.00 0.00 O ATOM 0 H SER A 65 -7.864 -7.622 -3.196 1.00 0.00 H new ATOM 0 HA SER A 65 -10.447 -6.899 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.831 -9.583 -3.288 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.081 -9.338 -2.085 1.00 0.00 H new ATOM 0 HG SER A 65 -11.177 -7.412 -4.055 1.00 0.00 H new ATOM 465 N ASP A 66 -9.636 -7.968 0.129 1.00 0.00 N ATOM 466 CA ASP A 66 -9.115 -8.202 1.475 1.00 0.00 C ATOM 467 C ASP A 66 -7.936 -9.185 1.562 1.00 0.00 C ATOM 468 O ASP A 66 -6.894 -8.849 2.118 1.00 0.00 O ATOM 469 CB ASP A 66 -10.268 -8.667 2.369 1.00 0.00 C ATOM 470 CG ASP A 66 -9.826 -8.686 3.823 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.195 -9.691 4.211 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.090 -7.679 4.514 1.00 0.00 O ATOM 0 H ASP A 66 -10.630 -7.740 0.141 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.700 -7.253 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.123 -8.001 2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.594 -9.662 2.067 1.00 0.00 H new ATOM 473 N GLU A 67 -8.081 -10.392 1.011 1.00 0.00 N ATOM 474 CA GLU A 67 -7.013 -11.390 1.078 1.00 0.00 C ATOM 475 C GLU A 67 -5.763 -10.885 0.344 1.00 0.00 C ATOM 476 O GLU A 67 -4.640 -10.971 0.845 1.00 0.00 O ATOM 477 CB GLU A 67 -7.519 -12.719 0.494 1.00 0.00 C ATOM 478 CG GLU A 67 -6.533 -13.873 0.731 1.00 0.00 C ATOM 479 CD GLU A 67 -6.356 -14.185 2.216 1.00 0.00 C ATOM 480 OE1 GLU A 67 -7.294 -14.786 2.783 1.00 0.00 O ATOM 481 OE2 GLU A 67 -5.293 -13.811 2.758 1.00 0.00 O ATOM 0 H GLU A 67 -8.919 -10.700 0.518 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.732 -11.559 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.481 -12.968 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.688 -12.602 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.889 -14.764 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.566 -13.617 0.297 1.00 0.00 H new ATOM 482 N GLU A 68 -5.962 -10.347 -0.860 1.00 0.00 N ATOM 483 CA GLU A 68 -4.878 -9.796 -1.649 1.00 0.00 C ATOM 484 C GLU A 68 -4.253 -8.657 -0.845 1.00 0.00 C ATOM 485 O GLU A 68 -3.035 -8.587 -0.748 1.00 0.00 O ATOM 486 CB GLU A 68 -5.403 -9.312 -3.003 1.00 0.00 C ATOM 487 CG GLU A 68 -5.962 -10.455 -3.856 1.00 0.00 C ATOM 488 CD GLU A 68 -6.576 -9.902 -5.136 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.669 -9.310 -5.015 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.934 -10.055 -6.197 1.00 0.00 O ATOM 0 H GLU A 68 -6.877 -10.285 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.121 -10.553 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.183 -8.568 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.598 -8.818 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.167 -11.159 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.714 -11.006 -3.291 1.00 0.00 H new ATOM 491 N LEU A 69 -5.073 -7.786 -0.244 1.00 0.00 N ATOM 492 CA LEU A 69 -4.570 -6.685 0.577 1.00 0.00 C ATOM 493 C LEU A 69 -3.687 -7.230 1.700 1.00 0.00 C ATOM 494 O LEU A 69 -2.619 -6.685 1.972 1.00 0.00 O ATOM 495 CB LEU A 69 -5.719 -5.863 1.177 1.00 0.00 C ATOM 496 CG LEU A 69 -6.645 -5.231 0.133 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.717 -4.404 0.844 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.860 -4.339 -0.826 1.00 0.00 C ATOM 0 H LEU A 69 -6.090 -7.825 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.982 -6.030 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.310 -6.506 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.300 -5.074 1.801 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.112 -6.027 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.378 -3.952 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.297 -5.050 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.241 -3.619 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.541 -3.903 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.371 -3.543 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.107 -4.934 -1.342 1.00 0.00 H new ATOM 499 N LYS A 70 -4.123 -8.306 2.356 1.00 0.00 N ATOM 500 CA LYS A 70 -3.363 -8.924 3.428 1.00 0.00 C ATOM 501 C LYS A 70 -2.003 -9.408 2.905 1.00 0.00 C ATOM 502 O LYS A 70 -0.978 -9.176 3.547 1.00 0.00 O ATOM 503 CB LYS A 70 -4.186 -10.076 4.021 1.00 0.00 C ATOM 504 CG LYS A 70 -3.624 -10.545 5.367 1.00 0.00 C ATOM 505 CD LYS A 70 -4.528 -11.647 5.934 1.00 0.00 C ATOM 506 CE LYS A 70 -4.059 -12.113 7.317 1.00 0.00 C ATOM 507 NZ LYS A 70 -2.718 -12.722 7.268 1.00 0.00 N ATOM 0 H LYS A 70 -5.010 -8.768 2.156 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.165 -8.196 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.219 -9.755 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.198 -10.912 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.609 -10.920 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.570 -9.708 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.551 -11.278 6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.540 -12.495 5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.047 -11.264 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.771 -12.835 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.495 -13.144 8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.699 -13.460 6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.013 -11.992 7.042 1.00 0.00 H new ATOM 508 N ALA A 71 -1.981 -10.055 1.733 1.00 0.00 N ATOM 509 CA ALA A 71 -0.753 -10.575 1.142 1.00 0.00 C ATOM 510 C ALA A 71 0.169 -9.421 0.786 1.00 0.00 C ATOM 511 O ALA A 71 1.362 -9.420 1.086 1.00 0.00 O ATOM 512 CB ALA A 71 -1.102 -11.419 -0.087 1.00 0.00 C ATOM 0 H ALA A 71 -2.815 -10.230 1.173 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.230 -11.213 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.187 -11.810 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.743 -12.248 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.625 -10.801 -0.817 1.00 0.00 H new ATOM 513 N LEU A 72 -0.410 -8.412 0.152 1.00 0.00 N ATOM 514 CA LEU A 72 0.271 -7.231 -0.295 1.00 0.00 C ATOM 515 C LEU A 72 0.919 -6.498 0.886 1.00 0.00 C ATOM 516 O LEU A 72 2.090 -6.122 0.821 1.00 0.00 O ATOM 517 CB LEU A 72 -0.850 -6.467 -0.976 1.00 0.00 C ATOM 518 CG LEU A 72 -0.442 -5.198 -1.668 1.00 0.00 C ATOM 519 CD1 LEU A 72 0.354 -5.482 -2.906 1.00 0.00 C ATOM 520 CD2 LEU A 72 -1.755 -4.561 -2.103 1.00 0.00 C ATOM 0 H LEU A 72 -1.406 -8.404 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 72 1.112 -7.399 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.321 -7.124 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.607 -6.226 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 72 0.166 -4.576 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.633 -4.542 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.254 -6.036 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.246 -6.075 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.551 -3.623 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.283 -5.238 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.372 -4.365 -1.226 1.00 0.00 H new ATOM 521 N ALA A 73 0.167 -6.298 1.973 1.00 0.00 N ATOM 522 CA ALA A 73 0.669 -5.639 3.169 1.00 0.00 C ATOM 523 C ALA A 73 1.767 -6.493 3.797 1.00 0.00 C ATOM 524 O ALA A 73 2.817 -5.968 4.163 1.00 0.00 O ATOM 525 CB ALA A 73 -0.467 -5.460 4.177 1.00 0.00 C ATOM 0 H ALA A 73 -0.807 -6.591 2.042 1.00 0.00 H new ATOM 0 HA ALA A 73 1.071 -4.663 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.086 -4.966 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.254 -4.851 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.872 -6.436 4.446 1.00 0.00 H new ATOM 526 N ASP A 74 1.518 -7.800 3.961 1.00 0.00 N ATOM 527 CA ASP A 74 2.519 -8.714 4.487 1.00 0.00 C ATOM 528 C ASP A 74 3.806 -8.542 3.679 1.00 0.00 C ATOM 529 O ASP A 74 4.882 -8.476 4.262 1.00 0.00 O ATOM 530 CB ASP A 74 2.019 -10.160 4.427 1.00 0.00 C ATOM 531 CG ASP A 74 3.092 -11.114 4.938 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.197 -11.240 6.177 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.804 -11.680 4.082 1.00 0.00 O ATOM 0 H ASP A 74 0.627 -8.240 3.734 1.00 0.00 H new ATOM 0 HA ASP A 74 2.715 -8.485 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.115 -10.264 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.753 -10.417 3.402 1.00 0.00 H new ATOM 534 N TYR A 75 3.703 -8.426 2.349 1.00 0.00 N ATOM 535 CA TYR A 75 4.886 -8.205 1.530 1.00 0.00 C ATOM 536 C TYR A 75 5.534 -6.876 1.915 1.00 0.00 C ATOM 537 O TYR A 75 6.721 -6.859 2.231 1.00 0.00 O ATOM 538 CB TYR A 75 4.587 -8.239 0.037 1.00 0.00 C ATOM 539 CG TYR A 75 5.830 -7.889 -0.763 1.00 0.00 C ATOM 540 CD1 TYR A 75 6.923 -8.775 -0.737 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.017 -6.576 -1.238 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.181 -8.367 -1.211 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.282 -6.166 -1.698 1.00 0.00 C ATOM 544 CZ TYR A 75 8.366 -7.057 -1.676 1.00 0.00 C ATOM 545 OH TYR A 75 9.597 -6.655 -2.102 1.00 0.00 O ATOM 0 H TYR A 75 2.826 -8.481 1.831 1.00 0.00 H new ATOM 0 HA TYR A 75 5.576 -9.026 1.725 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.232 -9.230 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.788 -7.536 -0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.794 -9.775 -0.350 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.188 -5.883 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.007 -9.063 -1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.419 -5.161 -2.070 1.00 0.00 H new ATOM 0 HH TYR A 75 9.553 -5.720 -2.393 1.00 0.00 H new ATOM 546 N MET A 76 4.786 -5.763 1.867 1.00 0.00 N ATOM 547 CA MET A 76 5.325 -4.461 2.257 1.00 0.00 C ATOM 548 C MET A 76 6.050 -4.531 3.614 1.00 0.00 C ATOM 549 O MET A 76 7.068 -3.876 3.826 1.00 0.00 O ATOM 550 CB MET A 76 4.204 -3.425 2.312 1.00 0.00 C ATOM 551 CG MET A 76 3.935 -2.821 0.936 1.00 0.00 C ATOM 552 SD MET A 76 2.636 -1.567 0.945 1.00 0.00 S ATOM 553 CE MET A 76 1.193 -2.632 0.970 1.00 0.00 C ATOM 0 H MET A 76 3.812 -5.743 1.563 1.00 0.00 H new ATOM 0 HA MET A 76 6.056 -4.163 1.505 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.294 -3.891 2.691 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.472 -2.634 3.012 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.855 -2.377 0.556 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.656 -3.617 0.246 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.575 -2.428 0.096 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.510 -3.675 0.955 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.616 -2.442 1.875 1.00 0.00 H new ATOM 554 N SER A 77 5.531 -5.326 4.548 1.00 0.00 N ATOM 555 CA SER A 77 6.148 -5.499 5.859 1.00 0.00 C ATOM 556 C SER A 77 7.612 -5.962 5.747 1.00 0.00 C ATOM 557 O SER A 77 8.425 -5.619 6.601 1.00 0.00 O ATOM 558 CB SER A 77 5.334 -6.509 6.674 1.00 0.00 C ATOM 559 OG SER A 77 5.699 -6.467 8.037 1.00 0.00 O ATOM 0 H SER A 77 4.675 -5.865 4.417 1.00 0.00 H new ATOM 0 HA SER A 77 6.152 -4.533 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.271 -6.293 6.571 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.494 -7.513 6.281 1.00 0.00 H new ATOM 0 HG SER A 77 5.312 -5.669 8.455 1.00 0.00 H new ATOM 560 N LYS A 78 7.953 -6.730 4.704 1.00 0.00 N ATOM 561 CA LYS A 78 9.294 -7.263 4.486 1.00 0.00 C ATOM 562 C LYS A 78 10.170 -6.347 3.618 1.00 0.00 C ATOM 563 O LYS A 78 11.211 -6.808 3.151 1.00 0.00 O ATOM 564 CB LYS A 78 9.198 -8.647 3.816 1.00 0.00 C ATOM 565 CG LYS A 78 8.146 -9.592 4.407 1.00 0.00 C ATOM 566 CD LYS A 78 8.340 -9.866 5.904 1.00 0.00 C ATOM 567 CE LYS A 78 7.263 -10.832 6.417 1.00 0.00 C ATOM 568 NZ LYS A 78 5.928 -10.208 6.430 1.00 0.00 N ATOM 0 H LYS A 78 7.289 -7.000 3.978 1.00 0.00 H new ATOM 0 HA LYS A 78 9.767 -7.336 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.980 -8.505 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.173 -9.131 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.156 -9.164 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.174 -10.538 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.329 -10.290 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.292 -8.930 6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.242 -11.721 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.520 -11.161 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.202 -10.943 6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.869 -9.531 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.769 -9.709 5.531 1.00 0.00 H new ATOM 569 N LEU A 79 9.752 -5.108 3.335 1.00 0.00 N ATOM 570 CA LEU A 79 10.578 -4.204 2.537 1.00 0.00 C ATOM 571 C LEU A 79 11.881 -3.888 3.274 1.00 0.00 C ATOM 572 O LEU A 79 11.848 -3.852 4.526 1.00 0.00 O ATOM 573 CB LEU A 79 9.843 -2.886 2.287 1.00 0.00 C ATOM 574 CG LEU A 79 8.621 -2.999 1.371 1.00 0.00 C ATOM 575 CD1 LEU A 79 7.802 -1.716 1.465 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.913 -3.139 -0.110 1.00 0.00 C ATOM 577 OXT LEU A 79 12.877 -3.610 2.572 1.00 0.00 O ATOM 0 H LEU A 79 8.862 -4.716 3.642 1.00 0.00 H new ATOM 0 HA LEU A 79 10.791 -4.697 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.525 -2.475 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.542 -2.173 1.851 1.00 0.00 H new ATOM 0 HG LEU A 79 8.122 -3.903 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.931 -1.792 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.475 -1.568 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.414 -0.870 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.975 -3.211 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.470 -2.268 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.504 -4.039 -0.281 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.782 3.992 -2.145 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.430 5.231 0.985 1.00 5.52 C HETATM 581 CHB HEM A 80 0.084 0.849 -0.948 1.00 7.91 C HETATM 582 CHC HEM A 80 0.667 2.788 -5.352 1.00 6.02 C HETATM 583 CHD HEM A 80 1.351 7.170 -3.340 1.00 10.53 C HETATM 584 NA HEM A 80 0.457 3.185 -0.333 1.00 6.22 N HETATM 585 C1A HEM A 80 0.348 3.864 0.857 1.00 6.23 C HETATM 586 C2A HEM A 80 0.145 2.958 1.956 1.00 8.27 C HETATM 587 C3A HEM A 80 0.062 1.722 1.421 1.00 7.07 C HETATM 588 C4A HEM A 80 0.218 1.865 -0.013 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.119 0.446 2.180 1.00 7.00 C HETATM 590 CAA HEM A 80 0.123 3.329 3.418 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.869 4.425 3.858 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.222 5.605 4.581 1.00 22.27 C HETATM 593 O1A HEM A 80 0.983 5.812 4.442 1.00 18.65 O HETATM 594 O2A HEM A 80 -0.946 6.313 5.274 1.00 17.21 O HETATM 595 NB HEM A 80 0.375 2.211 -2.984 1.00 4.54 N HETATM 596 C1B HEM A 80 0.081 1.031 -2.327 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.243 0.004 -3.281 1.00 5.88 C HETATM 598 C3B HEM A 80 0.001 0.507 -4.517 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.357 1.899 -4.331 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.718 -1.369 -2.921 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.031 -0.239 -5.834 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.332 -0.981 -6.167 1.00 6.48 C HETATM 603 NC HEM A 80 1.056 4.798 -3.967 1.00 3.58 N HETATM 604 C1C HEM A 80 0.973 4.136 -5.180 1.00 4.45 C HETATM 605 C2C HEM A 80 1.296 5.029 -6.261 1.00 5.77 C HETATM 606 C3C HEM A 80 1.617 6.230 -5.706 1.00 8.44 C HETATM 607 C4C HEM A 80 1.345 6.120 -4.273 1.00 11.13 C HETATM 608 CMC HEM A 80 1.322 4.616 -7.712 1.00 8.62 C HETATM 609 CAC HEM A 80 2.165 7.443 -6.426 1.00 3.39 C HETATM 610 CBC HEM A 80 1.083 8.217 -7.187 1.00 10.94 C HETATM 611 ND HEM A 80 0.876 5.831 -1.342 1.00 4.28 N HETATM 612 C1D HEM A 80 1.114 7.040 -1.966 1.00 5.02 C HETATM 613 C2D HEM A 80 1.102 8.117 -0.966 1.00 3.97 C HETATM 614 C3D HEM A 80 0.894 7.530 0.248 1.00 5.11 C HETATM 615 C4D HEM A 80 0.715 6.135 -0.011 1.00 9.05 C HETATM 616 CMD HEM A 80 1.307 9.583 -1.243 1.00 5.28 C HETATM 617 CAD HEM A 80 0.843 8.120 1.651 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.506 8.718 2.062 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.864 9.982 1.298 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.436 11.055 1.714 1.00 8.25 O HETATM 621 O2D HEM A 80 -1.623 9.894 0.336 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.633 -0.281 1.552 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.712 0.636 3.075 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.856 0.052 2.467 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.298 -1.658 -1.958 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.396 -2.077 -3.684 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -1.806 -1.373 -2.859 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 1.062 5.470 -8.338 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.602 3.814 -7.875 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 2.321 4.265 -7.973 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.959 9.702 -2.108 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.766 10.057 -0.375 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.345 10.053 -1.446 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.419 -1.537 -7.100 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.170 -0.952 -5.470 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.347 9.113 -7.749 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 0.049 7.871 -7.167 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.618 3.979 4.513 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.395 4.797 2.979 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.126 3.650 3.699 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 -0.095 2.428 3.991 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.486 8.940 3.129 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.287 7.974 1.906 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.604 8.896 1.729 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.109 7.340 2.365 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.252 5.636 1.970 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.026 -0.159 -0.577 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.671 2.403 -6.361 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.556 8.162 -3.714 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.824 -0.248 -6.509 1.00 6.35 H new HETATM 0 HAC HEM A 80 3.215 7.735 -6.406 1.00 3.39 H new