USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=32 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 38 TYR OH : rot 14:sc= 1.48 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -178:sc= 0.602 (180deg=0.111) USER MOD Set 2.1: A 41 MET CE :methyl 178:sc= -0.808 (180deg=-0.85) USER MOD Set 2.2: A 76 MET CE :methyl 162:sc= -1.17 (180deg=-0.584) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -1.41 (180deg=-1.14) USER MOD Set 3.1: A 32 GLN : amide:sc= 1.61 K(o=2,f=-3) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -134:sc= 0.429 (180deg=0.154) USER MOD Single : A 1 ALA N :NH3+ -139:sc= 2.05 (180deg=0.188) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.45 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0176) USER MOD Single : A 9 SER OG : rot -73:sc= 0.944 USER MOD Single : A 19 SER OG : rot -61:sc= 0.853 USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= 1.14 (180deg=-0.064) USER MOD Single : A 23 MET CE :methyl -178:sc= 0 (180deg=-0.00602) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 134:sc= 0.984 (180deg=-0.303) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 1.43 (180deg=1.03) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= 0.335 (180deg=-0.0172) USER MOD Single : A 44 TYR OH : rot 37:sc= 1.24 USER MOD Single : A 48 SER OG : rot -49:sc= 0.554 USER MOD Single : A 49 TYR OH : rot 174:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -175:sc=-0.00374 (180deg=-0.0705) USER MOD Single : A 57 MET CE :methyl 166:sc= -4.24 (180deg=-5.31!) USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 59 ASN : amide:sc= 0.904 K(o=0.9,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 0.638 (180deg=0.565) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0.175 (180deg=0.0543) USER MOD Single : A 64 TYR OH : rot 125:sc= 0.751 USER MOD Single : A 65 SER OG : rot 13:sc= 0.372 USER MOD Single : A 70 LYS NZ :NH3+ -129:sc= 0.737 (180deg=-1.19) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -169:sc= 0.241 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.843 (180deg=0.827) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -1.11 (180deg=-2.19) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.505 (180deg=-0.505) USER MOD Single : A 80 HEM CMD :methyl 150:sc= -2.01 (180deg=-2.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.905 -13.590 -3.665 1.00 0.00 N ATOM 2 CA ALA A 1 -1.754 -14.056 -4.456 1.00 0.00 C ATOM 3 C ALA A 1 -0.489 -13.506 -3.799 1.00 0.00 C ATOM 4 O ALA A 1 -0.608 -13.002 -2.685 1.00 0.00 O ATOM 5 CB ALA A 1 -1.890 -13.616 -5.918 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.597 -14.361 -3.572 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.582 -13.298 -2.720 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.350 -12.781 -4.143 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.706 -15.145 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.030 -13.970 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.802 -14.037 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.935 -12.528 -5.968 1.00 0.00 H new ATOM 6 N ASP A 2 0.683 -13.605 -4.434 1.00 0.00 N ATOM 7 CA ASP A 2 1.925 -13.104 -3.853 1.00 0.00 C ATOM 8 C ASP A 2 1.858 -11.594 -3.620 1.00 0.00 C ATOM 9 O ASP A 2 1.443 -10.843 -4.500 1.00 0.00 O ATOM 10 CB ASP A 2 3.114 -13.458 -4.751 1.00 0.00 C ATOM 11 CG ASP A 2 4.384 -12.787 -4.238 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.633 -12.884 -3.017 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.049 -12.134 -5.066 1.00 0.00 O ATOM 0 H ASP A 2 0.794 -14.030 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 2 2.063 -13.585 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.250 -14.539 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.914 -13.139 -5.774 1.00 0.00 H new ATOM 14 N GLY A 3 2.285 -11.163 -2.432 1.00 0.00 N ATOM 15 CA GLY A 3 2.307 -9.766 -2.050 1.00 0.00 C ATOM 16 C GLY A 3 3.246 -8.993 -2.966 1.00 0.00 C ATOM 17 O GLY A 3 2.809 -8.092 -3.675 1.00 0.00 O ATOM 0 H GLY A 3 2.628 -11.790 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.302 -9.348 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.633 -9.668 -1.014 1.00 0.00 H new ATOM 18 N ALA A 4 4.531 -9.360 -2.985 1.00 0.00 N ATOM 19 CA ALA A 4 5.523 -8.687 -3.815 1.00 0.00 C ATOM 20 C ALA A 4 5.022 -8.516 -5.250 1.00 0.00 C ATOM 21 O ALA A 4 5.101 -7.416 -5.798 1.00 0.00 O ATOM 22 CB ALA A 4 6.845 -9.459 -3.778 1.00 0.00 C ATOM 0 H ALA A 4 4.907 -10.127 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 4 5.692 -7.689 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.581 -8.950 -4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.209 -9.508 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.687 -10.469 -4.155 1.00 0.00 H new ATOM 23 N ALA A 5 4.465 -9.576 -5.845 1.00 0.00 N ATOM 24 CA ALA A 5 3.966 -9.522 -7.212 1.00 0.00 C ATOM 25 C ALA A 5 2.945 -8.403 -7.399 1.00 0.00 C ATOM 26 O ALA A 5 2.939 -7.759 -8.445 1.00 0.00 O ATOM 27 CB ALA A 5 3.355 -10.870 -7.601 1.00 0.00 C ATOM 0 H ALA A 5 4.351 -10.484 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 5 4.811 -9.307 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.985 -10.820 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.114 -11.648 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.530 -11.103 -6.928 1.00 0.00 H new ATOM 28 N LEU A 6 2.072 -8.165 -6.417 1.00 0.00 N ATOM 29 CA LEU A 6 1.099 -7.114 -6.505 1.00 0.00 C ATOM 30 C LEU A 6 1.823 -5.790 -6.264 1.00 0.00 C ATOM 31 O LEU A 6 1.724 -4.869 -7.081 1.00 0.00 O ATOM 32 CB LEU A 6 0.026 -7.404 -5.455 1.00 0.00 C ATOM 33 CG LEU A 6 -0.811 -8.658 -5.756 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.578 -9.062 -4.494 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.795 -8.427 -6.906 1.00 0.00 C ATOM 0 H LEU A 6 2.033 -8.701 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 6 0.615 -7.054 -7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.504 -7.522 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.639 -6.543 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.132 -9.454 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.174 -9.951 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.872 -9.276 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.235 -8.247 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.366 -9.338 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.476 -7.617 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.244 -8.161 -7.808 1.00 0.00 H new ATOM 36 N TYR A 7 2.598 -5.704 -5.171 1.00 0.00 N ATOM 37 CA TYR A 7 3.292 -4.476 -4.835 1.00 0.00 C ATOM 38 C TYR A 7 4.230 -3.960 -5.937 1.00 0.00 C ATOM 39 O TYR A 7 4.518 -2.762 -5.968 1.00 0.00 O ATOM 40 CB TYR A 7 3.995 -4.615 -3.484 1.00 0.00 C ATOM 41 CG TYR A 7 4.060 -3.292 -2.739 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.862 -2.617 -2.434 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.285 -2.727 -2.347 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.884 -1.370 -1.796 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.300 -1.483 -1.693 1.00 0.00 C ATOM 46 CZ TYR A 7 4.113 -0.755 -1.524 1.00 0.00 C ATOM 47 OH TYR A 7 4.153 0.510 -1.026 1.00 0.00 O ATOM 0 H TYR A 7 2.752 -6.471 -4.516 1.00 0.00 H new ATOM 0 HA TYR A 7 2.530 -3.701 -4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.468 -5.349 -2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.005 -4.995 -3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.915 -3.066 -2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.211 -3.246 -2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.960 -0.886 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.231 -1.085 -1.318 1.00 0.00 H new ATOM 0 HH TYR A 7 5.086 0.781 -0.896 1.00 0.00 H new ATOM 48 N LYS A 8 4.697 -4.818 -6.853 1.00 0.00 N ATOM 49 CA LYS A 8 5.547 -4.383 -7.965 1.00 0.00 C ATOM 50 C LYS A 8 4.943 -3.163 -8.689 1.00 0.00 C ATOM 51 O LYS A 8 5.680 -2.292 -9.141 1.00 0.00 O ATOM 52 CB LYS A 8 5.772 -5.541 -8.957 1.00 0.00 C ATOM 53 CG LYS A 8 7.200 -6.102 -8.904 1.00 0.00 C ATOM 54 CD LYS A 8 7.473 -6.862 -7.600 1.00 0.00 C ATOM 55 CE LYS A 8 8.932 -7.316 -7.485 1.00 0.00 C ATOM 56 NZ LYS A 8 9.286 -8.296 -8.527 1.00 0.00 N ATOM 0 H LYS A 8 4.499 -5.819 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 8 6.510 -4.083 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.064 -6.341 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.561 -5.193 -9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.359 -6.769 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.914 -5.285 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.226 -6.224 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.819 -7.732 -7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.589 -6.450 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.099 -7.755 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.259 -8.629 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.632 -9.104 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.216 -7.848 -9.463 1.00 0.00 H new ATOM 57 N SER A 9 3.611 -3.076 -8.796 1.00 0.00 N ATOM 58 CA SER A 9 2.960 -1.940 -9.452 1.00 0.00 C ATOM 59 C SER A 9 3.149 -0.629 -8.680 1.00 0.00 C ATOM 60 O SER A 9 3.248 0.451 -9.258 1.00 0.00 O ATOM 61 CB SER A 9 1.452 -2.205 -9.563 1.00 0.00 C ATOM 62 OG SER A 9 0.871 -2.526 -8.312 1.00 0.00 O ATOM 0 H SER A 9 2.965 -3.779 -8.436 1.00 0.00 H new ATOM 0 HA SER A 9 3.423 -1.836 -10.433 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.960 -1.324 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.279 -3.023 -10.262 1.00 0.00 H new ATOM 0 HG SER A 9 1.137 -3.432 -8.050 1.00 0.00 H new ATOM 63 N CYS A 10 3.177 -0.745 -7.358 1.00 0.00 N ATOM 64 CA CYS A 10 3.244 0.320 -6.378 1.00 0.00 C ATOM 65 C CYS A 10 4.657 0.862 -6.302 1.00 0.00 C ATOM 66 O CYS A 10 4.875 2.065 -6.128 1.00 0.00 O ATOM 67 CB CYS A 10 2.803 -0.275 -5.036 1.00 0.00 C ATOM 68 SG CYS A 10 1.421 -1.456 -5.137 1.00 0.00 S ATOM 0 H CYS A 10 3.151 -1.662 -6.913 1.00 0.00 H new ATOM 0 HA CYS A 10 2.594 1.152 -6.649 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.657 -0.776 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.518 0.540 -4.370 1.00 0.00 H new ATOM 69 N ILE A 11 5.612 -0.058 -6.463 1.00 0.00 N ATOM 70 CA ILE A 11 7.039 0.200 -6.445 1.00 0.00 C ATOM 71 C ILE A 11 7.396 1.434 -7.287 1.00 0.00 C ATOM 72 O ILE A 11 8.333 2.151 -6.947 1.00 0.00 O ATOM 73 CB ILE A 11 7.780 -1.090 -6.873 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.728 -1.546 -5.757 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.574 -0.943 -8.178 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.955 -2.150 -4.580 1.00 0.00 C ATOM 0 H ILE A 11 5.394 -1.043 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 11 7.368 0.450 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 11 7.005 -1.835 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.428 -2.282 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.319 -0.698 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.066 -1.887 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.896 -0.675 -8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.325 -0.162 -8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.656 -2.463 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.273 -1.404 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.385 -3.013 -4.924 1.00 0.00 H new ATOM 77 N GLY A 12 6.656 1.701 -8.370 1.00 0.00 N ATOM 78 CA GLY A 12 6.883 2.861 -9.218 1.00 0.00 C ATOM 79 C GLY A 12 6.883 4.162 -8.408 1.00 0.00 C ATOM 80 O GLY A 12 7.795 4.976 -8.543 1.00 0.00 O ATOM 0 H GLY A 12 5.882 1.112 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.837 2.754 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.109 2.909 -9.984 1.00 0.00 H new ATOM 81 N CYS A 13 5.867 4.364 -7.559 1.00 0.00 N ATOM 82 CA CYS A 13 5.771 5.565 -6.729 1.00 0.00 C ATOM 83 C CYS A 13 6.551 5.361 -5.435 1.00 0.00 C ATOM 84 O CYS A 13 7.248 6.262 -4.978 1.00 0.00 O ATOM 85 CB CYS A 13 4.320 5.887 -6.349 1.00 0.00 C ATOM 86 SG CYS A 13 3.320 6.829 -7.528 1.00 0.00 S ATOM 0 H CYS A 13 5.098 3.706 -7.431 1.00 0.00 H new ATOM 0 HA CYS A 13 6.179 6.389 -7.314 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.808 4.944 -6.156 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.336 6.439 -5.409 1.00 0.00 H new ATOM 87 N HIS A 14 6.419 4.179 -4.833 1.00 0.00 N ATOM 88 CA HIS A 14 7.045 3.862 -3.557 1.00 0.00 C ATOM 89 C HIS A 14 8.583 3.800 -3.625 1.00 0.00 C ATOM 90 O HIS A 14 9.248 3.974 -2.607 1.00 0.00 O ATOM 91 CB HIS A 14 6.331 2.623 -3.003 1.00 0.00 C ATOM 92 CG HIS A 14 4.968 3.021 -2.486 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.829 3.721 -1.300 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.698 2.971 -3.016 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.564 4.161 -1.244 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.784 3.599 -2.170 1.00 0.00 N ATOM 0 H HIS A 14 5.871 3.412 -5.222 1.00 0.00 H new ATOM 0 HA HIS A 14 6.913 4.672 -2.839 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.231 1.868 -3.783 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.921 2.177 -2.202 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.554 3.874 -0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.444 2.509 -3.958 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.214 4.890 -0.528 1.00 0.00 H new ATOM 97 N GLY A 15 9.169 3.599 -4.807 1.00 0.00 N ATOM 98 CA GLY A 15 10.610 3.622 -5.010 1.00 0.00 C ATOM 99 C GLY A 15 11.382 2.440 -4.428 1.00 0.00 C ATOM 100 O GLY A 15 11.586 2.362 -3.213 1.00 0.00 O ATOM 0 H GLY A 15 8.643 3.413 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.806 3.668 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.005 4.540 -4.574 1.00 0.00 H new ATOM 101 N ALA A 16 11.859 1.568 -5.330 1.00 0.00 N ATOM 102 CA ALA A 16 12.667 0.372 -5.089 1.00 0.00 C ATOM 103 C ALA A 16 11.916 -0.658 -4.248 1.00 0.00 C ATOM 104 O ALA A 16 11.632 -1.758 -4.713 1.00 0.00 O ATOM 105 CB ALA A 16 14.009 0.755 -4.449 1.00 0.00 C ATOM 0 H ALA A 16 11.672 1.695 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 16 12.871 -0.098 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.599 -0.145 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.553 1.423 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.829 1.259 -3.500 1.00 0.00 H new ATOM 106 N ASP A 17 11.626 -0.293 -3.004 1.00 0.00 N ATOM 107 CA ASP A 17 10.925 -1.006 -1.994 1.00 0.00 C ATOM 108 C ASP A 17 9.812 -0.061 -1.503 1.00 0.00 C ATOM 109 O ASP A 17 8.672 -0.172 -1.948 1.00 0.00 O ATOM 110 CB ASP A 17 11.951 -1.502 -0.954 1.00 0.00 C ATOM 111 CG ASP A 17 12.975 -0.480 -0.444 1.00 0.00 C ATOM 112 OD1 ASP A 17 12.791 0.732 -0.701 1.00 0.00 O ATOM 113 OD2 ASP A 17 13.950 -0.928 0.195 1.00 0.00 O ATOM 0 H ASP A 17 11.921 0.621 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 17 10.424 -1.918 -2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.403 -1.890 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.496 -2.340 -1.389 1.00 0.00 H new ATOM 114 N GLY A 18 10.130 0.916 -0.656 1.00 0.00 N ATOM 115 CA GLY A 18 9.205 1.901 -0.124 1.00 0.00 C ATOM 116 C GLY A 18 10.033 3.054 0.419 1.00 0.00 C ATOM 117 O GLY A 18 9.729 3.598 1.480 1.00 0.00 O ATOM 0 H GLY A 18 11.081 1.044 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.526 2.249 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.591 1.465 0.664 1.00 0.00 H new ATOM 118 N SER A 19 11.100 3.382 -0.316 1.00 0.00 N ATOM 119 CA SER A 19 12.052 4.416 0.051 1.00 0.00 C ATOM 120 C SER A 19 11.618 5.800 -0.429 1.00 0.00 C ATOM 121 O SER A 19 11.842 6.786 0.271 1.00 0.00 O ATOM 122 CB SER A 19 13.431 4.050 -0.515 1.00 0.00 C ATOM 123 OG SER A 19 13.407 3.931 -1.926 1.00 0.00 O ATOM 0 H SER A 19 11.324 2.923 -1.199 1.00 0.00 H new ATOM 0 HA SER A 19 12.100 4.468 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.156 4.812 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.766 3.110 -0.077 1.00 0.00 H new ATOM 0 HG SER A 19 12.785 3.219 -2.184 1.00 0.00 H new ATOM 124 N LYS A 20 11.021 5.897 -1.620 1.00 0.00 N ATOM 125 CA LYS A 20 10.591 7.178 -2.148 1.00 0.00 C ATOM 126 C LYS A 20 9.295 7.570 -1.450 1.00 0.00 C ATOM 127 O LYS A 20 8.367 6.767 -1.336 1.00 0.00 O ATOM 128 CB LYS A 20 10.430 7.105 -3.675 1.00 0.00 C ATOM 129 CG LYS A 20 10.047 8.465 -4.282 1.00 0.00 C ATOM 130 CD LYS A 20 10.397 8.606 -5.774 1.00 0.00 C ATOM 131 CE LYS A 20 9.438 7.897 -6.743 1.00 0.00 C ATOM 132 NZ LYS A 20 9.529 6.429 -6.667 1.00 0.00 N ATOM 0 H LYS A 20 10.828 5.102 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 20 11.341 7.944 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.362 6.759 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.665 6.369 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.976 8.619 -4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.551 9.255 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.423 9.666 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.402 8.216 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.415 8.204 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.656 8.217 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.203 6.014 -7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.516 6.151 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.932 6.084 -5.888 1.00 0.00 H new ATOM 133 N ALA A 21 9.237 8.816 -0.976 1.00 0.00 N ATOM 134 CA ALA A 21 8.070 9.360 -0.305 1.00 0.00 C ATOM 135 C ALA A 21 7.018 9.624 -1.388 1.00 0.00 C ATOM 136 O ALA A 21 6.814 10.748 -1.838 1.00 0.00 O ATOM 137 CB ALA A 21 8.498 10.594 0.495 1.00 0.00 C ATOM 0 H ALA A 21 10.010 9.477 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 21 7.624 8.682 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.632 11.015 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.249 10.308 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.918 11.339 -0.181 1.00 0.00 H new ATOM 138 N ALA A 22 6.373 8.533 -1.798 1.00 0.00 N ATOM 139 CA ALA A 22 5.413 8.335 -2.869 1.00 0.00 C ATOM 140 C ALA A 22 4.582 9.510 -3.394 1.00 0.00 C ATOM 141 O ALA A 22 3.361 9.474 -3.308 1.00 0.00 O ATOM 142 CB ALA A 22 4.540 7.131 -2.509 1.00 0.00 C ATOM 0 H ALA A 22 6.540 7.650 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 22 6.041 8.173 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.809 6.962 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.167 6.246 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.020 7.326 -1.571 1.00 0.00 H new ATOM 143 N MET A 23 5.222 10.488 -4.042 1.00 0.00 N ATOM 144 CA MET A 23 4.622 11.661 -4.684 1.00 0.00 C ATOM 145 C MET A 23 3.980 12.613 -3.672 1.00 0.00 C ATOM 146 O MET A 23 4.292 13.801 -3.668 1.00 0.00 O ATOM 147 CB MET A 23 3.628 11.246 -5.783 1.00 0.00 C ATOM 148 CG MET A 23 4.251 10.274 -6.798 1.00 0.00 C ATOM 149 SD MET A 23 5.805 10.777 -7.584 1.00 0.00 S ATOM 150 CE MET A 23 5.265 12.264 -8.456 1.00 0.00 C ATOM 0 H MET A 23 6.237 10.481 -4.138 1.00 0.00 H new ATOM 0 HA MET A 23 5.432 12.214 -5.159 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.757 10.779 -5.324 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.275 12.135 -6.305 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.420 9.323 -6.294 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.519 10.092 -7.584 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.100 12.677 -9.022 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.454 12.011 -9.139 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.915 13.002 -7.734 1.00 0.00 H new ATOM 151 N GLY A 24 3.075 12.129 -2.821 1.00 0.00 N ATOM 152 CA GLY A 24 2.448 12.931 -1.778 1.00 0.00 C ATOM 153 C GLY A 24 3.248 12.809 -0.490 1.00 0.00 C ATOM 154 O GLY A 24 2.684 12.778 0.599 1.00 0.00 O ATOM 0 H GLY A 24 2.756 11.160 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.397 13.974 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.423 12.597 -1.615 1.00 0.00 H new ATOM 155 N SER A 25 4.571 12.716 -0.629 1.00 0.00 N ATOM 156 CA SER A 25 5.509 12.603 0.465 1.00 0.00 C ATOM 157 C SER A 25 5.115 11.456 1.397 1.00 0.00 C ATOM 158 O SER A 25 5.077 11.662 2.609 1.00 0.00 O ATOM 159 CB SER A 25 5.571 13.941 1.215 1.00 0.00 C ATOM 160 OG SER A 25 5.816 14.998 0.304 1.00 0.00 O ATOM 0 H SER A 25 5.025 12.718 -1.542 1.00 0.00 H new ATOM 0 HA SER A 25 6.501 12.374 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.633 14.115 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.359 13.909 1.968 1.00 0.00 H new ATOM 0 HG SER A 25 5.852 15.848 0.791 1.00 0.00 H new ATOM 161 N ALA A 26 4.846 10.247 0.873 1.00 0.00 N ATOM 162 CA ALA A 26 4.449 9.179 1.775 1.00 0.00 C ATOM 163 C ALA A 26 5.497 8.880 2.838 1.00 0.00 C ATOM 164 O ALA A 26 6.655 8.643 2.501 1.00 0.00 O ATOM 165 CB ALA A 26 4.204 7.898 0.985 1.00 0.00 C ATOM 0 H ALA A 26 4.895 10.003 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 26 3.542 9.521 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.907 7.101 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.411 8.066 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.119 7.610 0.467 1.00 0.00 H new ATOM 166 N LYS A 27 5.110 8.887 4.118 1.00 0.00 N ATOM 167 CA LYS A 27 6.040 8.484 5.162 1.00 0.00 C ATOM 168 C LYS A 27 6.389 7.039 4.771 1.00 0.00 C ATOM 169 O LYS A 27 5.457 6.261 4.535 1.00 0.00 O ATOM 170 CB LYS A 27 5.452 8.645 6.576 1.00 0.00 C ATOM 171 CG LYS A 27 4.193 7.842 6.944 1.00 0.00 C ATOM 172 CD LYS A 27 2.942 8.267 6.165 1.00 0.00 C ATOM 173 CE LYS A 27 1.674 7.844 6.908 1.00 0.00 C ATOM 174 NZ LYS A 27 0.473 8.220 6.144 1.00 0.00 N ATOM 0 H LYS A 27 4.183 9.161 4.444 1.00 0.00 H new ATOM 0 HA LYS A 27 6.930 9.110 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.232 8.384 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.226 9.701 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.382 6.784 6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.001 7.953 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.944 9.348 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.955 7.817 5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.685 6.766 7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.648 8.315 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.189 7.418 6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.014 9.035 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.745 8.472 5.172 1.00 0.00 H new ATOM 175 N PRO A 28 7.687 6.705 4.636 1.00 0.00 N ATOM 176 CA PRO A 28 8.170 5.430 4.121 1.00 0.00 C ATOM 177 C PRO A 28 7.259 4.249 4.435 1.00 0.00 C ATOM 178 O PRO A 28 7.196 3.789 5.572 1.00 0.00 O ATOM 179 CB PRO A 28 9.594 5.240 4.655 1.00 0.00 C ATOM 180 CG PRO A 28 9.763 6.338 5.704 1.00 0.00 C ATOM 181 CD PRO A 28 8.799 7.425 5.234 1.00 0.00 C ATOM 0 HA PRO A 28 8.170 5.459 3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.724 4.250 5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.332 5.336 3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.511 5.982 6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.790 6.701 5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.466 8.045 6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.274 8.089 4.512 1.00 0.00 H new ATOM 182 N VAL A 29 6.544 3.772 3.406 1.00 0.00 N ATOM 183 CA VAL A 29 5.657 2.622 3.525 1.00 0.00 C ATOM 184 C VAL A 29 6.516 1.439 4.015 1.00 0.00 C ATOM 185 O VAL A 29 6.016 0.547 4.699 1.00 0.00 O ATOM 186 CB VAL A 29 4.942 2.355 2.185 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.154 1.049 2.221 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.876 3.428 1.932 1.00 0.00 C ATOM 0 H VAL A 29 6.569 4.178 2.470 1.00 0.00 H new ATOM 0 HA VAL A 29 4.857 2.794 4.246 1.00 0.00 H new ATOM 0 HB VAL A 29 5.723 2.337 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.663 0.893 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.833 0.220 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.402 1.099 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.378 3.229 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.142 3.409 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.349 4.409 1.895 1.00 0.00 H new ATOM 189 N LYS A 30 7.808 1.431 3.649 1.00 0.00 N ATOM 190 CA LYS A 30 8.822 0.469 4.042 1.00 0.00 C ATOM 191 C LYS A 30 8.844 0.170 5.534 1.00 0.00 C ATOM 192 O LYS A 30 9.554 0.777 6.333 1.00 0.00 O ATOM 193 CB LYS A 30 10.171 0.949 3.533 1.00 0.00 C ATOM 194 CG LYS A 30 11.332 -0.010 3.822 1.00 0.00 C ATOM 195 CD LYS A 30 12.633 0.530 3.218 1.00 0.00 C ATOM 196 CE LYS A 30 13.821 -0.383 3.547 1.00 0.00 C ATOM 197 NZ LYS A 30 13.674 -1.725 2.955 1.00 0.00 N ATOM 0 H LYS A 30 8.185 2.148 3.030 1.00 0.00 H new ATOM 0 HA LYS A 30 8.573 -0.488 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.105 1.107 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.393 1.916 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.448 -0.137 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.112 -0.994 3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.526 0.616 2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.825 1.533 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.740 0.074 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.918 -0.474 4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.561 -2.255 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.902 -2.232 3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.456 -1.636 1.942 1.00 0.00 H new ATOM 198 N GLY A 31 8.047 -0.835 5.851 1.00 0.00 N ATOM 199 CA GLY A 31 7.873 -1.409 7.164 1.00 0.00 C ATOM 200 C GLY A 31 6.946 -0.564 8.016 1.00 0.00 C ATOM 201 O GLY A 31 7.191 -0.420 9.211 1.00 0.00 O ATOM 0 H GLY A 31 7.469 -1.298 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.468 -2.417 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.842 -1.498 7.656 1.00 0.00 H new ATOM 202 N GLN A 32 5.876 -0.020 7.419 1.00 0.00 N ATOM 203 CA GLN A 32 4.937 0.792 8.182 1.00 0.00 C ATOM 204 C GLN A 32 4.400 -0.070 9.349 1.00 0.00 C ATOM 205 O GLN A 32 4.377 0.358 10.499 1.00 0.00 O ATOM 206 CB GLN A 32 3.851 1.419 7.280 1.00 0.00 C ATOM 207 CG GLN A 32 4.046 2.936 7.023 1.00 0.00 C ATOM 208 CD GLN A 32 2.967 3.524 6.095 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.845 3.027 6.111 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.251 4.548 5.272 1.00 0.00 N ATOM 0 H GLN A 32 5.648 -0.128 6.431 1.00 0.00 H new ATOM 0 HA GLN A 32 5.434 1.660 8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.841 0.897 6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.875 1.261 7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.030 3.467 7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.029 3.102 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.187 4.954 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.531 4.919 4.653 1.00 0.00 H new ATOM 211 N GLY A 33 4.005 -1.306 9.031 1.00 0.00 N ATOM 212 CA GLY A 33 3.546 -2.349 9.950 1.00 0.00 C ATOM 213 C GLY A 33 2.436 -3.150 9.281 1.00 0.00 C ATOM 214 O GLY A 33 1.494 -2.533 8.829 1.00 0.00 O ATOM 0 H GLY A 33 3.997 -1.624 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.374 -3.005 10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.182 -1.902 10.875 1.00 0.00 H new ATOM 215 N ALA A 34 2.488 -4.482 9.172 1.00 0.00 N ATOM 216 CA ALA A 34 1.457 -5.268 8.498 1.00 0.00 C ATOM 217 C ALA A 34 0.056 -4.865 8.929 1.00 0.00 C ATOM 218 O ALA A 34 -0.791 -4.590 8.087 1.00 0.00 O ATOM 219 CB ALA A 34 1.661 -6.765 8.773 1.00 0.00 C ATOM 0 H ALA A 34 3.250 -5.044 9.551 1.00 0.00 H new ATOM 0 HA ALA A 34 1.553 -5.069 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.885 -7.337 8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.640 -7.073 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.603 -6.949 9.846 1.00 0.00 H new ATOM 220 N GLU A 35 -0.180 -4.817 10.239 1.00 0.00 N ATOM 221 CA GLU A 35 -1.484 -4.426 10.763 1.00 0.00 C ATOM 222 C GLU A 35 -1.826 -3.020 10.260 1.00 0.00 C ATOM 223 O GLU A 35 -2.933 -2.768 9.790 1.00 0.00 O ATOM 224 CB GLU A 35 -1.463 -4.498 12.298 1.00 0.00 C ATOM 225 CG GLU A 35 -2.799 -4.084 12.938 1.00 0.00 C ATOM 226 CD GLU A 35 -3.985 -4.909 12.440 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.833 -6.149 12.384 1.00 0.00 O ATOM 228 OE2 GLU A 35 -5.022 -4.285 12.131 1.00 0.00 O ATOM 0 H GLU A 35 0.512 -5.043 10.953 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.258 -5.108 10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.219 -5.515 12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.670 -3.852 12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.723 -4.185 14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.984 -3.030 12.729 1.00 0.00 H new ATOM 229 N GLU A 36 -0.848 -2.117 10.350 1.00 0.00 N ATOM 230 CA GLU A 36 -0.956 -0.734 9.927 1.00 0.00 C ATOM 231 C GLU A 36 -1.356 -0.692 8.449 1.00 0.00 C ATOM 232 O GLU A 36 -2.455 -0.262 8.103 1.00 0.00 O ATOM 233 CB GLU A 36 0.398 -0.045 10.220 1.00 0.00 C ATOM 234 CG GLU A 36 0.316 1.479 10.181 1.00 0.00 C ATOM 235 CD GLU A 36 1.564 2.142 10.756 1.00 0.00 C ATOM 236 OE1 GLU A 36 1.769 2.000 11.981 1.00 0.00 O ATOM 237 OE2 GLU A 36 2.277 2.793 9.960 1.00 0.00 O ATOM 0 H GLU A 36 0.069 -2.344 10.734 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.730 -0.193 10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.753 -0.359 11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.135 -0.382 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.175 1.807 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.559 1.808 10.742 1.00 0.00 H new ATOM 238 N LEU A 37 -0.470 -1.182 7.583 1.00 0.00 N ATOM 239 CA LEU A 37 -0.640 -1.245 6.154 1.00 0.00 C ATOM 240 C LEU A 37 -1.967 -1.905 5.787 1.00 0.00 C ATOM 241 O LEU A 37 -2.664 -1.416 4.909 1.00 0.00 O ATOM 242 CB LEU A 37 0.529 -2.003 5.496 1.00 0.00 C ATOM 243 CG LEU A 37 1.926 -1.406 5.753 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.007 -2.484 5.885 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.333 -0.520 4.580 1.00 0.00 C ATOM 0 H LEU A 37 0.427 -1.562 7.887 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.649 -0.222 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.520 -3.033 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.359 -2.038 4.420 1.00 0.00 H new ATOM 0 HG LEU A 37 1.854 -0.846 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.972 -2.011 6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.764 -3.143 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.054 -3.066 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.321 -0.100 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.358 -1.114 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.611 0.289 4.467 1.00 0.00 H new ATOM 246 N TYR A 38 -2.343 -2.999 6.449 1.00 0.00 N ATOM 247 CA TYR A 38 -3.567 -3.713 6.149 1.00 0.00 C ATOM 248 C TYR A 38 -4.779 -2.876 6.498 1.00 0.00 C ATOM 249 O TYR A 38 -5.717 -2.792 5.713 1.00 0.00 O ATOM 250 CB TYR A 38 -3.574 -5.002 6.960 1.00 0.00 C ATOM 251 CG TYR A 38 -4.782 -5.899 6.776 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.042 -6.510 5.534 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.617 -6.172 7.876 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.114 -7.413 5.401 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.679 -7.081 7.744 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.914 -7.718 6.516 1.00 0.00 C ATOM 257 OH TYR A 38 -7.958 -8.586 6.417 1.00 0.00 O ATOM 0 H TYR A 38 -1.801 -3.410 7.209 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.611 -3.932 5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.681 -5.573 6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.496 -4.743 8.016 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.418 -6.285 4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.441 -5.682 8.822 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.321 -7.870 4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.317 -7.290 8.590 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.892 -9.082 5.574 1.00 0.00 H new ATOM 258 N LYS A 39 -4.758 -2.255 7.675 1.00 0.00 N ATOM 259 CA LYS A 39 -5.887 -1.454 8.116 1.00 0.00 C ATOM 260 C LYS A 39 -6.047 -0.256 7.185 1.00 0.00 C ATOM 261 O LYS A 39 -7.154 0.095 6.778 1.00 0.00 O ATOM 262 CB LYS A 39 -5.656 -1.029 9.572 1.00 0.00 C ATOM 263 CG LYS A 39 -6.894 -0.361 10.185 1.00 0.00 C ATOM 264 CD LYS A 39 -6.625 0.161 11.605 1.00 0.00 C ATOM 265 CE LYS A 39 -6.113 -0.910 12.579 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.008 -2.079 12.639 1.00 0.00 N ATOM 0 H LYS A 39 -3.978 -2.293 8.332 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.812 -2.029 8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.386 -1.903 10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.813 -0.339 9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.212 0.466 9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.716 -1.077 10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.894 0.968 11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.545 0.590 12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.118 -1.232 12.273 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.016 -0.477 13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.262 -2.271 13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.871 -1.884 12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.524 -2.908 12.239 1.00 0.00 H new ATOM 267 N LYS A 40 -4.922 0.353 6.821 1.00 0.00 N ATOM 268 CA LYS A 40 -4.891 1.518 5.974 1.00 0.00 C ATOM 269 C LYS A 40 -5.359 1.184 4.558 1.00 0.00 C ATOM 270 O LYS A 40 -6.225 1.856 3.999 1.00 0.00 O ATOM 271 CB LYS A 40 -3.449 2.003 5.988 1.00 0.00 C ATOM 272 CG LYS A 40 -3.107 2.743 7.286 1.00 0.00 C ATOM 273 CD LYS A 40 -1.610 3.058 7.283 1.00 0.00 C ATOM 274 CE LYS A 40 -1.225 4.082 8.353 1.00 0.00 C ATOM 275 NZ LYS A 40 0.148 4.565 8.128 1.00 0.00 N ATOM 0 H LYS A 40 -3.998 0.038 7.116 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.569 2.292 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.779 1.152 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.280 2.664 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.688 3.662 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.364 2.131 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.048 2.138 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.324 3.437 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.921 4.921 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.301 3.631 9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.669 4.563 9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.629 3.941 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.118 5.533 7.748 1.00 0.00 H new ATOM 276 N MET A 41 -4.783 0.133 3.976 1.00 0.00 N ATOM 277 CA MET A 41 -5.102 -0.303 2.637 1.00 0.00 C ATOM 278 C MET A 41 -6.550 -0.782 2.604 1.00 0.00 C ATOM 279 O MET A 41 -7.242 -0.499 1.637 1.00 0.00 O ATOM 280 CB MET A 41 -4.090 -1.367 2.224 1.00 0.00 C ATOM 281 CG MET A 41 -3.954 -1.500 0.709 1.00 0.00 C ATOM 282 SD MET A 41 -2.693 -2.674 0.132 1.00 0.00 S ATOM 283 CE MET A 41 -2.360 -3.631 1.632 1.00 0.00 C ATOM 0 H MET A 41 -4.075 -0.440 4.435 1.00 0.00 H new ATOM 0 HA MET A 41 -5.028 0.507 1.912 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.118 -1.122 2.651 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.389 -2.328 2.643 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.919 -1.802 0.301 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.726 -0.518 0.295 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.630 -4.410 1.412 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.965 -2.971 2.404 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.284 -4.089 1.984 1.00 0.00 H new ATOM 284 N LYS A 42 -7.031 -1.485 3.638 1.00 0.00 N ATOM 285 CA LYS A 42 -8.431 -1.890 3.701 1.00 0.00 C ATOM 286 C LYS A 42 -9.264 -0.608 3.694 1.00 0.00 C ATOM 287 O LYS A 42 -10.235 -0.496 2.952 1.00 0.00 O ATOM 288 CB LYS A 42 -8.685 -2.749 4.947 1.00 0.00 C ATOM 289 CG LYS A 42 -10.131 -3.262 5.003 1.00 0.00 C ATOM 290 CD LYS A 42 -10.430 -4.018 6.307 1.00 0.00 C ATOM 291 CE LYS A 42 -9.559 -5.262 6.529 1.00 0.00 C ATOM 292 NZ LYS A 42 -9.683 -6.229 5.424 1.00 0.00 N ATOM 0 H LYS A 42 -6.470 -1.781 4.436 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.709 -2.510 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.999 -3.596 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.473 -2.163 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.817 -2.420 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.314 -3.920 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.292 -3.338 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.478 -4.318 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.516 -4.961 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.845 -5.742 7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.105 -7.068 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.679 -6.511 5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.353 -5.791 4.540 1.00 0.00 H new ATOM 293 N GLY A 43 -8.848 0.376 4.494 1.00 0.00 N ATOM 294 CA GLY A 43 -9.498 1.667 4.548 1.00 0.00 C ATOM 295 C GLY A 43 -9.612 2.263 3.148 1.00 0.00 C ATOM 296 O GLY A 43 -10.690 2.686 2.753 1.00 0.00 O ATOM 0 H GLY A 43 -8.048 0.290 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.490 1.564 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.932 2.340 5.192 1.00 0.00 H new ATOM 297 N TYR A 44 -8.525 2.310 2.372 1.00 0.00 N ATOM 298 CA TYR A 44 -8.627 2.841 1.016 1.00 0.00 C ATOM 299 C TYR A 44 -9.528 1.933 0.173 1.00 0.00 C ATOM 300 O TYR A 44 -10.381 2.429 -0.559 1.00 0.00 O ATOM 301 CB TYR A 44 -7.242 2.986 0.379 1.00 0.00 C ATOM 302 CG TYR A 44 -6.346 4.052 0.981 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.818 5.365 1.183 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.986 3.766 1.194 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.953 6.361 1.670 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.112 4.782 1.608 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.593 6.071 1.869 1.00 0.00 C ATOM 308 OH TYR A 44 -3.737 7.000 2.373 1.00 0.00 O ATOM 0 H TYR A 44 -7.595 1.997 2.650 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.072 3.835 1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.729 2.026 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.372 3.203 -0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.847 5.607 0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.614 2.764 1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.334 7.347 1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.060 4.569 1.726 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.199 7.537 3.050 1.00 0.00 H new ATOM 309 N ALA A 45 -9.378 0.610 0.299 1.00 0.00 N ATOM 310 CA ALA A 45 -10.166 -0.376 -0.429 1.00 0.00 C ATOM 311 C ALA A 45 -11.658 -0.065 -0.275 1.00 0.00 C ATOM 312 O ALA A 45 -12.393 -0.094 -1.260 1.00 0.00 O ATOM 313 CB ALA A 45 -9.864 -1.797 0.057 1.00 0.00 C ATOM 0 H ALA A 45 -8.689 0.192 0.924 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.895 -0.321 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.467 -2.510 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.807 -2.017 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.102 -1.877 1.118 1.00 0.00 H new ATOM 314 N ASP A 46 -12.094 0.252 0.955 1.00 0.00 N ATOM 315 CA ASP A 46 -13.488 0.574 1.258 1.00 0.00 C ATOM 316 C ASP A 46 -13.743 2.090 1.337 1.00 0.00 C ATOM 317 O ASP A 46 -14.819 2.509 1.757 1.00 0.00 O ATOM 318 CB ASP A 46 -13.904 -0.160 2.544 1.00 0.00 C ATOM 319 CG ASP A 46 -13.143 0.257 3.800 1.00 0.00 C ATOM 320 OD1 ASP A 46 -12.903 1.471 3.957 1.00 0.00 O ATOM 321 OD2 ASP A 46 -12.827 -0.651 4.600 1.00 0.00 O ATOM 0 H ASP A 46 -11.481 0.291 1.769 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.113 0.226 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.968 0.005 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.768 -1.231 2.394 1.00 0.00 H new ATOM 322 N GLY A 47 -12.782 2.917 0.917 1.00 0.00 N ATOM 323 CA GLY A 47 -12.877 4.370 0.914 1.00 0.00 C ATOM 324 C GLY A 47 -13.058 5.025 2.290 1.00 0.00 C ATOM 325 O GLY A 47 -13.484 6.177 2.345 1.00 0.00 O ATOM 0 H GLY A 47 -11.889 2.577 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.975 4.774 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.715 4.660 0.280 1.00 0.00 H new ATOM 326 N SER A 48 -12.707 4.354 3.393 1.00 0.00 N ATOM 327 CA SER A 48 -12.840 4.889 4.747 1.00 0.00 C ATOM 328 C SER A 48 -11.483 5.313 5.325 1.00 0.00 C ATOM 329 O SER A 48 -11.252 5.145 6.523 1.00 0.00 O ATOM 330 CB SER A 48 -13.511 3.839 5.644 1.00 0.00 C ATOM 331 OG SER A 48 -13.848 4.412 6.892 1.00 0.00 O ATOM 0 H SER A 48 -12.318 3.412 3.367 1.00 0.00 H new ATOM 0 HA SER A 48 -13.462 5.783 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.407 3.453 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.840 2.993 5.792 1.00 0.00 H new ATOM 0 HG SER A 48 -13.073 4.891 7.252 1.00 0.00 H new ATOM 332 N TYR A 49 -10.582 5.862 4.505 1.00 0.00 N ATOM 333 CA TYR A 49 -9.273 6.339 4.939 1.00 0.00 C ATOM 334 C TYR A 49 -8.808 7.401 3.944 1.00 0.00 C ATOM 335 O TYR A 49 -9.363 7.492 2.849 1.00 0.00 O ATOM 336 CB TYR A 49 -8.290 5.165 5.066 1.00 0.00 C ATOM 337 CG TYR A 49 -6.913 5.524 5.596 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.785 6.223 6.812 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.757 5.174 4.875 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.525 6.678 7.233 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.495 5.622 5.302 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.383 6.404 6.464 1.00 0.00 C ATOM 343 OH TYR A 49 -3.166 6.827 6.906 1.00 0.00 O ATOM 0 H TYR A 49 -10.748 5.988 3.506 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.327 6.792 5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.729 4.415 5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.174 4.702 4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.657 6.409 7.421 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.839 4.559 3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.434 7.240 8.151 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.611 5.365 4.737 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.465 6.484 6.313 1.00 0.00 H new ATOM 344 N GLY A 50 -7.819 8.216 4.327 1.00 0.00 N ATOM 345 CA GLY A 50 -7.307 9.296 3.500 1.00 0.00 C ATOM 346 C GLY A 50 -5.792 9.432 3.548 1.00 0.00 C ATOM 347 O GLY A 50 -5.094 8.613 4.141 1.00 0.00 O ATOM 0 H GLY A 50 -7.352 8.137 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.616 9.131 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.758 10.235 3.822 1.00 0.00 H new ATOM 348 N GLY A 51 -5.297 10.478 2.887 1.00 0.00 N ATOM 349 CA GLY A 51 -3.933 10.852 2.701 1.00 0.00 C ATOM 350 C GLY A 51 -3.854 11.819 1.526 1.00 0.00 C ATOM 351 O GLY A 51 -4.864 12.097 0.877 1.00 0.00 O ATOM 0 H GLY A 51 -5.923 11.140 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.542 11.320 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.321 9.971 2.508 1.00 0.00 H new ATOM 352 N GLU A 52 -2.650 12.311 1.267 1.00 0.00 N ATOM 353 CA GLU A 52 -2.318 13.255 0.212 1.00 0.00 C ATOM 354 C GLU A 52 -2.756 12.756 -1.167 1.00 0.00 C ATOM 355 O GLU A 52 -3.323 13.532 -1.934 1.00 0.00 O ATOM 356 CB GLU A 52 -0.804 13.517 0.230 1.00 0.00 C ATOM 357 CG GLU A 52 -0.324 14.156 1.542 1.00 0.00 C ATOM 358 CD GLU A 52 -0.972 15.512 1.799 1.00 0.00 C ATOM 359 OE1 GLU A 52 -0.666 16.442 1.021 1.00 0.00 O ATOM 360 OE2 GLU A 52 -1.766 15.593 2.761 1.00 0.00 O ATOM 0 H GLU A 52 -1.834 12.046 1.819 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.860 14.182 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.276 12.576 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.543 14.170 -0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.548 13.486 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.759 14.274 1.511 1.00 0.00 H new ATOM 361 N ARG A 53 -2.478 11.489 -1.500 1.00 0.00 N ATOM 362 CA ARG A 53 -2.869 10.910 -2.800 1.00 0.00 C ATOM 363 C ARG A 53 -3.832 9.745 -2.580 1.00 0.00 C ATOM 364 O ARG A 53 -3.824 8.777 -3.344 1.00 0.00 O ATOM 365 CB ARG A 53 -1.671 10.468 -3.678 1.00 0.00 C ATOM 366 CG ARG A 53 -0.458 11.402 -3.646 1.00 0.00 C ATOM 367 CD ARG A 53 -0.690 12.784 -4.262 1.00 0.00 C ATOM 368 NE ARG A 53 0.582 13.521 -4.308 1.00 0.00 N ATOM 369 CZ ARG A 53 0.724 14.849 -4.418 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.349 15.632 -4.571 1.00 0.00 N ATOM 371 NH2 ARG A 53 1.949 15.388 -4.368 1.00 0.00 N ATOM 0 H ARG A 53 -1.983 10.841 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.364 11.706 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.354 9.476 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.012 10.376 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.144 11.530 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.367 10.920 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.100 12.682 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.422 13.338 -3.674 1.00 0.00 H new ATOM 0 HE ARG A 53 1.438 12.969 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.281 15.219 -4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.235 16.642 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.765 14.789 -4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.066 16.398 -4.451 1.00 0.00 H new ATOM 372 N LYS A 54 -4.711 9.863 -1.578 1.00 0.00 N ATOM 373 CA LYS A 54 -5.678 8.856 -1.228 1.00 0.00 C ATOM 374 C LYS A 54 -6.490 8.373 -2.434 1.00 0.00 C ATOM 375 O LYS A 54 -6.878 7.212 -2.482 1.00 0.00 O ATOM 376 CB LYS A 54 -6.614 9.470 -0.190 1.00 0.00 C ATOM 377 CG LYS A 54 -7.431 10.696 -0.643 1.00 0.00 C ATOM 378 CD LYS A 54 -8.403 11.182 0.441 1.00 0.00 C ATOM 379 CE LYS A 54 -9.606 10.239 0.602 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.488 10.670 1.700 1.00 0.00 N ATOM 0 H LYS A 54 -4.758 10.689 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.155 7.983 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.310 8.699 0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.020 9.757 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.751 11.506 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.991 10.444 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.875 11.262 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.757 12.181 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.172 10.207 -0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.252 9.226 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.289 10.012 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.954 10.676 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.845 11.627 1.503 1.00 0.00 H new ATOM 381 N ALA A 55 -6.781 9.266 -3.386 1.00 0.00 N ATOM 382 CA ALA A 55 -7.557 8.942 -4.574 1.00 0.00 C ATOM 383 C ALA A 55 -6.792 7.949 -5.447 1.00 0.00 C ATOM 384 O ALA A 55 -7.319 6.893 -5.791 1.00 0.00 O ATOM 385 CB ALA A 55 -7.871 10.227 -5.346 1.00 0.00 C ATOM 0 H ALA A 55 -6.479 10.240 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.497 8.475 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.452 9.984 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.445 10.902 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.940 10.711 -5.642 1.00 0.00 H new ATOM 386 N MET A 56 -5.545 8.288 -5.793 1.00 0.00 N ATOM 387 CA MET A 56 -4.692 7.429 -6.604 1.00 0.00 C ATOM 388 C MET A 56 -4.556 6.084 -5.895 1.00 0.00 C ATOM 389 O MET A 56 -4.679 5.028 -6.519 1.00 0.00 O ATOM 390 CB MET A 56 -3.315 8.078 -6.805 1.00 0.00 C ATOM 391 CG MET A 56 -3.388 9.413 -7.559 1.00 0.00 C ATOM 392 SD MET A 56 -4.205 9.397 -9.179 1.00 0.00 S ATOM 393 CE MET A 56 -3.202 8.171 -10.049 1.00 0.00 C ATOM 0 H MET A 56 -5.104 9.165 -5.516 1.00 0.00 H new ATOM 0 HA MET A 56 -5.135 7.284 -7.589 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.850 8.241 -5.833 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.672 7.391 -7.355 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.906 10.133 -6.925 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.371 9.782 -7.695 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.522 8.111 -11.089 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.153 8.464 -10.008 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.326 7.197 -9.575 1.00 0.00 H new ATOM 394 N MET A 57 -4.330 6.152 -4.581 1.00 0.00 N ATOM 395 CA MET A 57 -4.201 4.992 -3.724 1.00 0.00 C ATOM 396 C MET A 57 -5.448 4.115 -3.853 1.00 0.00 C ATOM 397 O MET A 57 -5.355 2.970 -4.283 1.00 0.00 O ATOM 398 CB MET A 57 -3.940 5.481 -2.287 1.00 0.00 C ATOM 399 CG MET A 57 -2.434 5.505 -1.989 1.00 0.00 C ATOM 400 SD MET A 57 -1.593 3.921 -2.247 1.00 0.00 S ATOM 401 CE MET A 57 -2.606 2.811 -1.237 1.00 0.00 C ATOM 0 H MET A 57 -4.231 7.036 -4.082 1.00 0.00 H new ATOM 0 HA MET A 57 -3.358 4.366 -4.019 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.358 6.479 -2.155 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.446 4.827 -1.577 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.963 6.259 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.286 5.817 -0.955 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.371 1.776 -1.487 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.396 2.986 -0.182 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.661 3.001 -1.434 1.00 0.00 H new ATOM 402 N THR A 58 -6.620 4.648 -3.511 1.00 0.00 N ATOM 403 CA THR A 58 -7.906 3.975 -3.627 1.00 0.00 C ATOM 404 C THR A 58 -8.031 3.347 -5.018 1.00 0.00 C ATOM 405 O THR A 58 -8.407 2.186 -5.129 1.00 0.00 O ATOM 406 CB THR A 58 -9.032 4.979 -3.338 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.906 5.442 -2.008 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.415 4.345 -3.494 1.00 0.00 C ATOM 0 H THR A 58 -6.699 5.592 -3.133 1.00 0.00 H new ATOM 0 HA THR A 58 -7.984 3.170 -2.896 1.00 0.00 H new ATOM 0 HB THR A 58 -8.942 5.795 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.206 6.127 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.182 5.089 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.536 3.982 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.514 3.512 -2.798 1.00 0.00 H new ATOM 409 N ASN A 59 -7.696 4.085 -6.079 1.00 0.00 N ATOM 410 CA ASN A 59 -7.742 3.562 -7.443 1.00 0.00 C ATOM 411 C ASN A 59 -6.834 2.327 -7.577 1.00 0.00 C ATOM 412 O ASN A 59 -7.227 1.331 -8.180 1.00 0.00 O ATOM 413 CB ASN A 59 -7.366 4.682 -8.436 1.00 0.00 C ATOM 414 CG ASN A 59 -6.385 4.250 -9.525 1.00 0.00 C ATOM 415 OD1 ASN A 59 -6.783 3.866 -10.618 1.00 0.00 O ATOM 416 ND2 ASN A 59 -5.089 4.329 -9.240 1.00 0.00 N ATOM 0 H ASN A 59 -7.387 5.055 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.754 3.233 -7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.275 5.054 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.932 5.514 -7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.396 4.066 -9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.788 4.653 -8.321 1.00 0.00 H new ATOM 417 N ALA A 60 -5.628 2.379 -7.006 1.00 0.00 N ATOM 418 CA ALA A 60 -4.667 1.287 -7.081 1.00 0.00 C ATOM 419 C ALA A 60 -5.088 0.087 -6.229 1.00 0.00 C ATOM 420 O ALA A 60 -4.766 -1.049 -6.572 1.00 0.00 O ATOM 421 CB ALA A 60 -3.298 1.791 -6.607 1.00 0.00 C ATOM 0 H ALA A 60 -5.294 3.185 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.619 0.954 -8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.573 0.979 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.971 2.612 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.376 2.141 -5.578 1.00 0.00 H new ATOM 422 N VAL A 61 -5.791 0.351 -5.126 1.00 0.00 N ATOM 423 CA VAL A 61 -6.210 -0.607 -4.111 1.00 0.00 C ATOM 424 C VAL A 61 -7.568 -1.283 -4.316 1.00 0.00 C ATOM 425 O VAL A 61 -7.656 -2.495 -4.147 1.00 0.00 O ATOM 426 CB VAL A 61 -6.194 0.154 -2.773 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.823 -0.625 -1.628 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.771 0.473 -2.320 1.00 0.00 C ATOM 0 H VAL A 61 -6.100 1.298 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.515 -1.445 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.769 1.057 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.778 -0.030 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.863 -0.846 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.279 -1.558 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.803 1.010 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.213 -0.455 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.280 1.091 -3.071 1.00 0.00 H new ATOM 429 N LYS A 62 -8.629 -0.536 -4.623 1.00 0.00 N ATOM 430 CA LYS A 62 -9.992 -1.057 -4.738 1.00 0.00 C ATOM 431 C LYS A 62 -10.099 -2.323 -5.597 1.00 0.00 C ATOM 432 O LYS A 62 -10.975 -3.147 -5.356 1.00 0.00 O ATOM 433 CB LYS A 62 -10.917 0.062 -5.240 1.00 0.00 C ATOM 434 CG LYS A 62 -12.397 -0.319 -5.078 1.00 0.00 C ATOM 435 CD LYS A 62 -13.357 0.816 -5.467 1.00 0.00 C ATOM 436 CE LYS A 62 -13.308 2.030 -4.529 1.00 0.00 C ATOM 437 NZ LYS A 62 -13.647 1.682 -3.137 1.00 0.00 N ATOM 0 H LYS A 62 -8.564 0.466 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.310 -1.375 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.713 0.980 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.705 0.268 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.610 -1.194 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.581 -0.604 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.123 1.144 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.375 0.426 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.310 2.467 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.000 2.791 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.716 2.550 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.559 1.182 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.906 1.068 -2.742 1.00 0.00 H new ATOM 438 N LYS A 63 -9.225 -2.489 -6.592 1.00 0.00 N ATOM 439 CA LYS A 63 -9.244 -3.668 -7.448 1.00 0.00 C ATOM 440 C LYS A 63 -8.901 -4.963 -6.686 1.00 0.00 C ATOM 441 O LYS A 63 -9.186 -6.047 -7.189 1.00 0.00 O ATOM 442 CB LYS A 63 -8.308 -3.443 -8.644 1.00 0.00 C ATOM 443 CG LYS A 63 -6.846 -3.182 -8.254 1.00 0.00 C ATOM 444 CD LYS A 63 -5.928 -3.178 -9.486 1.00 0.00 C ATOM 445 CE LYS A 63 -6.219 -2.042 -10.476 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.039 -0.714 -9.864 1.00 0.00 N ATOM 0 H LYS A 63 -8.494 -1.816 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.262 -3.807 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.349 -4.317 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.675 -2.597 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.771 -2.224 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.513 -3.947 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.892 -3.101 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.027 -4.132 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.559 -2.136 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.241 -2.136 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.977 0.007 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.849 -0.504 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.164 -0.706 -9.302 1.00 0.00 H new ATOM 447 N TYR A 64 -8.260 -4.884 -5.512 1.00 0.00 N ATOM 448 CA TYR A 64 -7.900 -6.030 -4.713 1.00 0.00 C ATOM 449 C TYR A 64 -9.104 -6.533 -3.920 1.00 0.00 C ATOM 450 O TYR A 64 -10.261 -6.179 -4.131 1.00 0.00 O ATOM 451 CB TYR A 64 -6.727 -5.609 -3.803 1.00 0.00 C ATOM 452 CG TYR A 64 -5.474 -5.188 -4.543 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.077 -5.842 -5.727 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.775 -4.047 -4.117 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.176 -5.213 -6.600 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.856 -3.434 -4.980 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.643 -3.961 -6.263 1.00 0.00 C ATOM 458 OH TYR A 64 -3.165 -3.159 -7.250 1.00 0.00 O ATOM 0 H TYR A 64 -7.978 -3.997 -5.096 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.586 -6.864 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.054 -4.784 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.481 -6.440 -3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.464 -6.823 -5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.945 -3.644 -3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.895 -5.691 -7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.313 -2.558 -4.658 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.604 -2.284 -7.202 1.00 0.00 H new ATOM 459 N SER A 65 -8.793 -7.440 -3.013 1.00 0.00 N ATOM 460 CA SER A 65 -9.689 -8.114 -2.091 1.00 0.00 C ATOM 461 C SER A 65 -8.876 -8.504 -0.861 1.00 0.00 C ATOM 462 O SER A 65 -7.654 -8.598 -0.952 1.00 0.00 O ATOM 463 CB SER A 65 -10.318 -9.314 -2.798 1.00 0.00 C ATOM 464 OG SER A 65 -11.228 -8.854 -3.780 1.00 0.00 O ATOM 0 H SER A 65 -7.829 -7.750 -2.892 1.00 0.00 H new ATOM 0 HA SER A 65 -10.510 -7.474 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.543 -9.925 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.834 -9.947 -2.076 1.00 0.00 H new ATOM 0 HG SER A 65 -11.092 -7.895 -3.928 1.00 0.00 H new ATOM 465 N ASP A 66 -9.555 -8.724 0.269 1.00 0.00 N ATOM 466 CA ASP A 66 -8.980 -9.042 1.576 1.00 0.00 C ATOM 467 C ASP A 66 -7.703 -9.891 1.513 1.00 0.00 C ATOM 468 O ASP A 66 -6.690 -9.518 2.097 1.00 0.00 O ATOM 469 CB ASP A 66 -10.049 -9.730 2.436 1.00 0.00 C ATOM 470 CG ASP A 66 -9.712 -9.616 3.918 1.00 0.00 C ATOM 471 OD1 ASP A 66 -8.641 -10.125 4.315 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.517 -8.986 4.634 1.00 0.00 O ATOM 0 H ASP A 66 -10.574 -8.682 0.296 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.670 -8.099 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.022 -9.277 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.126 -10.781 2.156 1.00 0.00 H new ATOM 473 N GLU A 67 -7.738 -11.019 0.795 1.00 0.00 N ATOM 474 CA GLU A 67 -6.579 -11.905 0.679 1.00 0.00 C ATOM 475 C GLU A 67 -5.401 -11.143 0.067 1.00 0.00 C ATOM 476 O GLU A 67 -4.301 -11.122 0.616 1.00 0.00 O ATOM 477 CB GLU A 67 -6.955 -13.145 -0.155 1.00 0.00 C ATOM 478 CG GLU A 67 -5.887 -14.257 -0.133 1.00 0.00 C ATOM 479 CD GLU A 67 -4.839 -14.146 -1.244 1.00 0.00 C ATOM 480 OE1 GLU A 67 -3.822 -13.450 -1.033 1.00 0.00 O ATOM 481 OE2 GLU A 67 -5.041 -14.779 -2.304 1.00 0.00 O ATOM 0 H GLU A 67 -8.561 -11.339 0.284 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.273 -12.247 1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.896 -13.550 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.126 -12.839 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.380 -14.239 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.384 -15.224 -0.214 1.00 0.00 H new ATOM 482 N GLU A 68 -5.647 -10.503 -1.076 1.00 0.00 N ATOM 483 CA GLU A 68 -4.654 -9.735 -1.795 1.00 0.00 C ATOM 484 C GLU A 68 -4.109 -8.631 -0.885 1.00 0.00 C ATOM 485 O GLU A 68 -2.900 -8.447 -0.804 1.00 0.00 O ATOM 486 CB GLU A 68 -5.295 -9.154 -3.060 1.00 0.00 C ATOM 487 CG GLU A 68 -6.134 -10.140 -3.887 1.00 0.00 C ATOM 488 CD GLU A 68 -5.420 -11.461 -4.134 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.265 -11.417 -4.611 1.00 0.00 O ATOM 490 OE2 GLU A 68 -6.024 -12.506 -3.815 1.00 0.00 O ATOM 0 H GLU A 68 -6.561 -10.509 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.819 -10.370 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.929 -8.315 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.505 -8.753 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.074 -10.332 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.384 -9.683 -4.844 1.00 0.00 H new ATOM 491 N LEU A 69 -4.996 -7.905 -0.195 1.00 0.00 N ATOM 492 CA LEU A 69 -4.601 -6.847 0.726 1.00 0.00 C ATOM 493 C LEU A 69 -3.685 -7.399 1.814 1.00 0.00 C ATOM 494 O LEU A 69 -2.648 -6.813 2.116 1.00 0.00 O ATOM 495 CB LEU A 69 -5.831 -6.219 1.394 1.00 0.00 C ATOM 496 CG LEU A 69 -6.774 -5.488 0.433 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.843 -4.786 1.274 1.00 0.00 C ATOM 498 CD2 LEU A 69 -6.012 -4.446 -0.383 1.00 0.00 C ATOM 0 H LEU A 69 -6.005 -8.038 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.073 -6.088 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.390 -7.002 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.495 -5.517 2.157 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.222 -6.202 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.532 -4.255 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.393 -5.526 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.366 -4.076 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.700 -3.939 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.560 -3.717 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.231 -4.938 -0.963 1.00 0.00 H new ATOM 499 N LYS A 70 -4.082 -8.516 2.420 1.00 0.00 N ATOM 500 CA LYS A 70 -3.318 -9.155 3.472 1.00 0.00 C ATOM 501 C LYS A 70 -1.949 -9.568 2.937 1.00 0.00 C ATOM 502 O LYS A 70 -0.942 -9.334 3.600 1.00 0.00 O ATOM 503 CB LYS A 70 -4.126 -10.344 4.006 1.00 0.00 C ATOM 504 CG LYS A 70 -3.561 -10.905 5.315 1.00 0.00 C ATOM 505 CD LYS A 70 -4.329 -12.144 5.804 1.00 0.00 C ATOM 506 CE LYS A 70 -5.832 -11.894 6.010 1.00 0.00 C ATOM 507 NZ LYS A 70 -6.612 -12.108 4.776 1.00 0.00 N ATOM 0 H LYS A 70 -4.949 -9.001 2.188 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.139 -8.468 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.159 -10.034 4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.142 -11.133 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.512 -11.164 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.597 -10.133 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.199 -12.950 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.893 -12.484 6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.204 -12.557 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.983 -10.873 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.217 -11.281 4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.963 -12.239 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.206 -12.955 4.883 1.00 0.00 H new ATOM 508 N ALA A 71 -1.897 -10.151 1.735 1.00 0.00 N ATOM 509 CA ALA A 71 -0.646 -10.578 1.137 1.00 0.00 C ATOM 510 C ALA A 71 0.226 -9.356 0.883 1.00 0.00 C ATOM 511 O ALA A 71 1.422 -9.369 1.174 1.00 0.00 O ATOM 512 CB ALA A 71 -0.919 -11.336 -0.162 1.00 0.00 C ATOM 0 H ALA A 71 -2.719 -10.335 1.160 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.121 -11.252 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.026 -11.653 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.532 -12.212 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.446 -10.685 -0.860 1.00 0.00 H new ATOM 513 N LEU A 72 -0.374 -8.288 0.348 1.00 0.00 N ATOM 514 CA LEU A 72 0.351 -7.070 0.087 1.00 0.00 C ATOM 515 C LEU A 72 0.935 -6.540 1.385 1.00 0.00 C ATOM 516 O LEU A 72 2.151 -6.447 1.483 1.00 0.00 O ATOM 517 CB LEU A 72 -0.610 -6.050 -0.517 1.00 0.00 C ATOM 518 CG LEU A 72 -0.615 -6.139 -2.035 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.574 -5.089 -2.547 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.756 -5.756 -2.567 1.00 0.00 C ATOM 0 H LEU A 72 -1.361 -8.256 0.092 1.00 0.00 H new ATOM 0 HA LEU A 72 1.167 -7.258 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.616 -6.223 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.321 -5.045 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.887 -7.148 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.604 -5.123 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.571 -5.282 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.240 -4.103 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.755 -5.819 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.992 -4.736 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.506 -6.437 -2.165 1.00 0.00 H new ATOM 521 N ALA A 73 0.102 -6.215 2.380 1.00 0.00 N ATOM 522 CA ALA A 73 0.602 -5.663 3.631 1.00 0.00 C ATOM 523 C ALA A 73 1.645 -6.591 4.245 1.00 0.00 C ATOM 524 O ALA A 73 2.644 -6.110 4.768 1.00 0.00 O ATOM 525 CB ALA A 73 -0.526 -5.476 4.648 1.00 0.00 C ATOM 0 H ALA A 73 -0.911 -6.326 2.339 1.00 0.00 H new ATOM 0 HA ALA A 73 1.046 -4.695 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.119 -5.062 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.272 -4.793 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.991 -6.439 4.856 1.00 0.00 H new ATOM 526 N ASP A 74 1.404 -7.908 4.221 1.00 0.00 N ATOM 527 CA ASP A 74 2.352 -8.882 4.744 1.00 0.00 C ATOM 528 C ASP A 74 3.707 -8.638 4.079 1.00 0.00 C ATOM 529 O ASP A 74 4.719 -8.521 4.767 1.00 0.00 O ATOM 530 CB ASP A 74 1.848 -10.306 4.488 1.00 0.00 C ATOM 531 CG ASP A 74 2.907 -11.342 4.838 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.214 -11.458 6.043 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.406 -11.986 3.890 1.00 0.00 O ATOM 0 H ASP A 74 0.552 -8.319 3.840 1.00 0.00 H new ATOM 0 HA ASP A 74 2.457 -8.769 5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.950 -10.487 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.567 -10.411 3.440 1.00 0.00 H new ATOM 534 N TYR A 75 3.727 -8.533 2.746 1.00 0.00 N ATOM 535 CA TYR A 75 4.959 -8.251 2.029 1.00 0.00 C ATOM 536 C TYR A 75 5.494 -6.875 2.455 1.00 0.00 C ATOM 537 O TYR A 75 6.612 -6.787 2.958 1.00 0.00 O ATOM 538 CB TYR A 75 4.747 -8.330 0.512 1.00 0.00 C ATOM 539 CG TYR A 75 5.974 -7.867 -0.249 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.203 -8.521 -0.036 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.951 -6.639 -0.935 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.403 -7.934 -0.471 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.146 -6.088 -1.426 1.00 0.00 C ATOM 544 CZ TYR A 75 8.375 -6.708 -1.154 1.00 0.00 C ATOM 545 OH TYR A 75 9.531 -6.114 -1.562 1.00 0.00 O ATOM 0 H TYR A 75 2.905 -8.640 2.151 1.00 0.00 H new ATOM 0 HA TYR A 75 5.701 -9.007 2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.509 -9.356 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.891 -7.716 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.223 -9.478 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.015 -6.120 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.346 -8.425 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.119 -5.183 -2.015 1.00 0.00 H new ATOM 0 HH TYR A 75 9.323 -5.273 -2.019 1.00 0.00 H new ATOM 546 N MET A 76 4.709 -5.806 2.271 1.00 0.00 N ATOM 547 CA MET A 76 5.098 -4.445 2.632 1.00 0.00 C ATOM 548 C MET A 76 5.638 -4.306 4.068 1.00 0.00 C ATOM 549 O MET A 76 6.434 -3.416 4.361 1.00 0.00 O ATOM 550 CB MET A 76 3.894 -3.534 2.436 1.00 0.00 C ATOM 551 CG MET A 76 3.600 -3.356 0.944 1.00 0.00 C ATOM 552 SD MET A 76 1.884 -3.594 0.446 1.00 0.00 S ATOM 553 CE MET A 76 1.103 -2.160 1.173 1.00 0.00 C ATOM 0 H MET A 76 3.776 -5.867 1.862 1.00 0.00 H new ATOM 0 HA MET A 76 5.925 -4.161 1.981 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.024 -3.957 2.937 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.085 -2.564 2.894 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.908 -2.352 0.650 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.221 -4.056 0.385 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.136 -1.993 0.699 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.961 -2.325 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.736 -1.285 1.023 1.00 0.00 H new ATOM 554 N SER A 77 5.187 -5.149 4.993 1.00 0.00 N ATOM 555 CA SER A 77 5.666 -5.104 6.369 1.00 0.00 C ATOM 556 C SER A 77 7.157 -5.464 6.438 1.00 0.00 C ATOM 557 O SER A 77 7.839 -5.003 7.350 1.00 0.00 O ATOM 558 CB SER A 77 4.830 -6.036 7.248 1.00 0.00 C ATOM 559 OG SER A 77 4.970 -5.682 8.616 1.00 0.00 O ATOM 0 H SER A 77 4.490 -5.872 4.813 1.00 0.00 H new ATOM 0 HA SER A 77 5.554 -4.087 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.781 -5.978 6.956 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.146 -7.068 7.098 1.00 0.00 H new ATOM 0 HG SER A 77 4.576 -6.382 9.177 1.00 0.00 H new ATOM 560 N LYS A 78 7.650 -6.301 5.516 1.00 0.00 N ATOM 561 CA LYS A 78 9.040 -6.725 5.412 1.00 0.00 C ATOM 562 C LYS A 78 9.647 -6.202 4.102 1.00 0.00 C ATOM 563 O LYS A 78 10.399 -6.898 3.421 1.00 0.00 O ATOM 564 CB LYS A 78 9.077 -8.251 5.536 1.00 0.00 C ATOM 565 CG LYS A 78 8.269 -9.004 4.471 1.00 0.00 C ATOM 566 CD LYS A 78 8.455 -10.516 4.651 1.00 0.00 C ATOM 567 CE LYS A 78 7.412 -11.303 3.853 1.00 0.00 C ATOM 568 NZ LYS A 78 6.063 -11.139 4.425 1.00 0.00 N ATOM 0 H LYS A 78 7.060 -6.715 4.794 1.00 0.00 H new ATOM 0 HA LYS A 78 9.651 -6.308 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.115 -8.580 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.702 -8.530 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.213 -8.746 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.595 -8.704 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.456 -10.803 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.376 -10.771 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.413 -10.965 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.679 -12.360 3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.381 -11.698 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.062 -11.468 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.793 -10.135 4.395 1.00 0.00 H new ATOM 569 N LEU A 79 9.268 -4.974 3.757 1.00 0.00 N ATOM 570 CA LEU A 79 9.682 -4.234 2.578 1.00 0.00 C ATOM 571 C LEU A 79 11.114 -3.729 2.723 1.00 0.00 C ATOM 572 O LEU A 79 11.811 -3.683 1.687 1.00 0.00 O ATOM 573 CB LEU A 79 8.679 -3.090 2.472 1.00 0.00 C ATOM 574 CG LEU A 79 8.678 -2.135 1.279 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.726 -2.929 -0.017 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.342 -1.374 1.265 1.00 0.00 C ATOM 577 OXT LEU A 79 11.486 -3.361 3.859 1.00 0.00 O ATOM 0 H LEU A 79 8.621 -4.438 4.335 1.00 0.00 H new ATOM 0 HA LEU A 79 9.686 -4.849 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.685 -3.535 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.800 -2.479 3.366 1.00 0.00 H new ATOM 0 HG LEU A 79 9.535 -1.467 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.725 -2.243 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.633 -3.533 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.854 -3.581 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.324 -0.687 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.520 -2.084 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.234 -0.811 2.192 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.759 3.842 -2.127 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.511 5.109 1.005 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.108 0.742 -0.890 1.00 7.91 C HETATM 582 CHC HEM A 80 0.485 2.639 -5.328 1.00 6.02 C HETATM 583 CHD HEM A 80 1.231 7.030 -3.356 1.00 10.53 C HETATM 584 NA HEM A 80 0.401 3.056 -0.299 1.00 6.22 N HETATM 585 C1A HEM A 80 0.352 3.747 0.887 1.00 6.23 C HETATM 586 C2A HEM A 80 0.073 2.869 1.991 1.00 8.27 C HETATM 587 C3A HEM A 80 -0.148 1.645 1.467 1.00 7.07 C HETATM 588 C4A HEM A 80 0.067 1.758 0.035 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.537 0.409 2.223 1.00 7.00 C HETATM 590 CAA HEM A 80 0.062 3.280 3.438 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.919 4.403 3.811 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.280 5.437 4.729 1.00 22.27 C HETATM 593 O1A HEM A 80 -0.941 5.852 5.675 1.00 18.65 O HETATM 594 O2A HEM A 80 0.866 5.817 4.488 1.00 17.21 O HETATM 595 NB HEM A 80 0.286 2.069 -2.939 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.077 0.912 -2.271 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.431 -0.111 -3.215 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.074 0.349 -4.442 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.248 1.749 -4.284 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.987 -1.455 -2.839 1.00 4.31 C HETATM 601 CAB HEM A 80 0.036 -0.438 -5.726 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.211 -1.206 -6.165 1.00 6.48 C HETATM 603 NC HEM A 80 0.935 4.650 -3.963 1.00 3.58 N HETATM 604 C1C HEM A 80 0.790 3.990 -5.173 1.00 4.45 C HETATM 605 C2C HEM A 80 1.045 4.894 -6.267 1.00 5.77 C HETATM 606 C3C HEM A 80 1.400 6.091 -5.722 1.00 8.44 C HETATM 607 C4C HEM A 80 1.194 5.976 -4.282 1.00 11.13 C HETATM 608 CMC HEM A 80 0.989 4.495 -7.720 1.00 8.62 C HETATM 609 CAC HEM A 80 1.928 7.310 -6.447 1.00 3.39 C HETATM 610 CBC HEM A 80 0.828 8.131 -7.130 1.00 10.94 C HETATM 611 ND HEM A 80 0.860 5.694 -1.340 1.00 4.28 N HETATM 612 C1D HEM A 80 1.059 6.904 -1.974 1.00 5.02 C HETATM 613 C2D HEM A 80 1.094 7.982 -0.975 1.00 3.97 C HETATM 614 C3D HEM A 80 0.944 7.395 0.243 1.00 5.11 C HETATM 615 C4D HEM A 80 0.759 6.002 -0.007 1.00 9.05 C HETATM 616 CMD HEM A 80 1.300 9.447 -1.246 1.00 5.28 C HETATM 617 CAD HEM A 80 0.947 7.982 1.647 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.441 8.384 2.152 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.884 9.710 1.561 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.587 9.712 0.551 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.543 10.735 2.144 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -1.136 -0.237 1.581 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -1.119 0.688 3.101 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.361 -0.123 2.537 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.604 -1.746 -1.861 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.686 -2.194 -3.581 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -2.075 -1.401 -2.802 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.689 5.353 -8.322 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.265 3.691 -7.849 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.973 4.153 -8.041 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 0.778 10.034 -0.490 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 0.906 9.694 -2.232 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 2.365 9.677 -1.213 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.194 -1.793 -7.083 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.117 -1.167 -5.560 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.086 9.033 -7.684 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.212 7.812 -7.061 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.793 3.973 4.301 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.272 4.893 2.903 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.068 3.597 3.713 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 -0.173 2.404 4.042 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.427 8.455 3.240 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.162 7.609 1.892 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.597 8.857 1.663 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.376 7.253 2.334 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.432 5.519 2.001 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.281 -0.255 -0.512 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.428 2.253 -6.335 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.407 8.023 -3.744 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.956 -0.458 -6.309 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.984 7.577 -6.480 1.00 3.39 H new