USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=30 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 -4:sc= 1.3 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -151:sc= 0.201 (180deg=0.0329) USER MOD Set 2.1: A 9 SER OG : rot 51:sc= 0.0731 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 147:sc= 0.885 (180deg=0) USER MOD Set 2.3: A 64 TYR OH : rot -132:sc= 2.01 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 157:sc= 0.932 (180deg=-0.246) USER MOD Set 3.2: A 49 TYR OH : rot 165:sc= 2.06 USER MOD Set 4.1: A 41 MET CE :methyl -156:sc= -0.597 (180deg=-1.04) USER MOD Set 4.2: A 76 MET CE :methyl 156:sc= -1.29 (180deg=-1.45) USER MOD Set 4.3: A 80 HEM CMA :methyl -30:sc= -2.64 (180deg=-4.85!) USER MOD Single : A 1 ALA N :NH3+ -171:sc= 2.18 (180deg=1.75) USER MOD Single : A 7 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 97:sc= 1.19 USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0.751 (180deg=0.71) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -0.0029 (180deg=-0.105) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.15) USER MOD Single : A 32 GLN : amide:sc= 0.377 K(o=0.38,f=-4.5!) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0475) USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= 0.814 (180deg=0.742) USER MOD Single : A 44 TYR OH : rot 167:sc= 1.2 USER MOD Single : A 48 SER OG : rot -49:sc= 0.639 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0826) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 165:sc= -2.24 (180deg=-3.64) USER MOD Single : A 58 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 59 ASN : amide:sc= 0.103 X(o=0.1,f=-0.011) USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= 0.941 (180deg=0.0757) USER MOD Single : A 65 SER OG : rot 180:sc= -0.165 USER MOD Single : A 75 TYR OH : rot -172:sc= 1.3 USER MOD Single : A 77 SER OG : rot -33:sc= 0.695 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.101 (180deg=0.1) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -1.52 (180deg=-1.52) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.0345 (180deg=-0.0345) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -1.1 (180deg=-3.91!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.408 -14.040 -3.788 1.00 0.00 N ATOM 2 CA ALA A 1 -1.075 -14.346 -4.335 1.00 0.00 C ATOM 3 C ALA A 1 -0.022 -13.564 -3.551 1.00 0.00 C ATOM 4 O ALA A 1 -0.398 -12.858 -2.621 1.00 0.00 O ATOM 5 CB ALA A 1 -1.023 -14.028 -5.833 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.112 -14.679 -4.211 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.398 -14.170 -2.756 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.657 -13.055 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.866 -15.410 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.031 -14.260 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.767 -14.627 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.234 -12.970 -5.988 1.00 0.00 H new ATOM 6 N ASP A 2 1.261 -13.705 -3.894 1.00 0.00 N ATOM 7 CA ASP A 2 2.358 -13.029 -3.209 1.00 0.00 C ATOM 8 C ASP A 2 2.180 -11.516 -3.230 1.00 0.00 C ATOM 9 O ASP A 2 1.997 -10.945 -4.299 1.00 0.00 O ATOM 10 CB ASP A 2 3.687 -13.414 -3.877 1.00 0.00 C ATOM 11 CG ASP A 2 4.929 -12.910 -3.137 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.782 -12.060 -2.230 1.00 0.00 O ATOM 13 OD2 ASP A 2 6.022 -13.387 -3.505 1.00 0.00 O ATOM 0 H ASP A 2 1.567 -14.299 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 2 2.362 -13.346 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.740 -14.500 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.698 -13.020 -4.893 1.00 0.00 H new ATOM 14 N GLY A 3 2.258 -10.867 -2.065 1.00 0.00 N ATOM 15 CA GLY A 3 2.187 -9.420 -1.957 1.00 0.00 C ATOM 16 C GLY A 3 3.188 -8.799 -2.924 1.00 0.00 C ATOM 17 O GLY A 3 2.886 -7.829 -3.613 1.00 0.00 O ATOM 0 H GLY A 3 2.373 -11.340 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.179 -9.075 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.407 -9.108 -0.936 1.00 0.00 H new ATOM 18 N ALA A 4 4.367 -9.410 -3.039 1.00 0.00 N ATOM 19 CA ALA A 4 5.407 -8.941 -3.931 1.00 0.00 C ATOM 20 C ALA A 4 4.949 -8.817 -5.385 1.00 0.00 C ATOM 21 O ALA A 4 5.580 -8.060 -6.117 1.00 0.00 O ATOM 22 CB ALA A 4 6.596 -9.906 -3.880 1.00 0.00 C ATOM 0 H ALA A 4 4.620 -10.245 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 4 5.683 -7.944 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.379 -9.554 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.984 -9.952 -2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.272 -10.899 -4.190 1.00 0.00 H new ATOM 23 N ALA A 5 3.893 -9.520 -5.833 1.00 0.00 N ATOM 24 CA ALA A 5 3.500 -9.416 -7.234 1.00 0.00 C ATOM 25 C ALA A 5 2.403 -8.375 -7.389 1.00 0.00 C ATOM 26 O ALA A 5 2.133 -7.913 -8.494 1.00 0.00 O ATOM 27 CB ALA A 5 3.059 -10.792 -7.741 1.00 0.00 C ATOM 0 H ALA A 5 3.320 -10.142 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 5 4.347 -9.090 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.765 -10.717 -8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.885 -11.497 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.213 -11.143 -7.151 1.00 0.00 H new ATOM 28 N LEU A 6 1.788 -7.984 -6.275 1.00 0.00 N ATOM 29 CA LEU A 6 0.714 -7.045 -6.216 1.00 0.00 C ATOM 30 C LEU A 6 1.322 -5.660 -6.039 1.00 0.00 C ATOM 31 O LEU A 6 0.883 -4.692 -6.657 1.00 0.00 O ATOM 32 CB LEU A 6 -0.126 -7.507 -5.031 1.00 0.00 C ATOM 33 CG LEU A 6 -0.899 -8.814 -5.294 1.00 0.00 C ATOM 34 CD1 LEU A 6 -0.388 -9.829 -6.323 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.220 -9.518 -3.974 1.00 0.00 C ATOM 0 H LEU A 6 2.051 -8.341 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 6 0.087 -6.991 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.525 -7.647 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.835 -6.721 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.781 -8.427 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.068 -10.680 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.338 -9.358 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.605 -10.172 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.766 -10.439 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.292 -9.753 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.831 -8.864 -3.352 1.00 0.00 H new ATOM 36 N TYR A 7 2.361 -5.564 -5.202 1.00 0.00 N ATOM 37 CA TYR A 7 3.010 -4.291 -4.958 1.00 0.00 C ATOM 38 C TYR A 7 3.766 -3.744 -6.184 1.00 0.00 C ATOM 39 O TYR A 7 4.116 -2.565 -6.197 1.00 0.00 O ATOM 40 CB TYR A 7 3.904 -4.406 -3.713 1.00 0.00 C ATOM 41 CG TYR A 7 4.070 -3.112 -2.932 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.937 -2.342 -2.597 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.307 -2.789 -2.345 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.070 -1.155 -1.862 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.424 -1.634 -1.553 1.00 0.00 C ATOM 46 CZ TYR A 7 4.343 -0.743 -1.449 1.00 0.00 C ATOM 47 OH TYR A 7 4.503 0.446 -0.809 1.00 0.00 O ATOM 0 H TYR A 7 2.761 -6.351 -4.691 1.00 0.00 H new ATOM 0 HA TYR A 7 2.235 -3.549 -4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.486 -5.164 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.889 -4.759 -4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.957 -2.670 -2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.164 -3.427 -2.503 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.199 -0.565 -1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.344 -1.432 -1.025 1.00 0.00 H new ATOM 0 HH TYR A 7 5.450 0.576 -0.592 1.00 0.00 H new ATOM 48 N LYS A 8 3.996 -4.544 -7.234 1.00 0.00 N ATOM 49 CA LYS A 8 4.714 -4.099 -8.431 1.00 0.00 C ATOM 50 C LYS A 8 4.172 -2.777 -8.994 1.00 0.00 C ATOM 51 O LYS A 8 4.942 -1.867 -9.291 1.00 0.00 O ATOM 52 CB LYS A 8 4.645 -5.182 -9.517 1.00 0.00 C ATOM 53 CG LYS A 8 5.374 -6.481 -9.149 1.00 0.00 C ATOM 54 CD LYS A 8 6.877 -6.272 -8.919 1.00 0.00 C ATOM 55 CE LYS A 8 7.608 -7.618 -8.870 1.00 0.00 C ATOM 56 NZ LYS A 8 9.037 -7.439 -8.557 1.00 0.00 N ATOM 0 H LYS A 8 3.689 -5.516 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 8 5.748 -3.926 -8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.599 -5.410 -9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.072 -4.786 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.928 -6.900 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.231 -7.211 -9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.290 -5.657 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.036 -5.732 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.146 -8.258 -8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.504 -8.126 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.506 -8.367 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.481 -6.848 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.134 -6.976 -7.631 1.00 0.00 H new ATOM 57 N SER A 9 2.852 -2.647 -9.132 1.00 0.00 N ATOM 58 CA SER A 9 2.235 -1.434 -9.666 1.00 0.00 C ATOM 59 C SER A 9 2.445 -0.216 -8.759 1.00 0.00 C ATOM 60 O SER A 9 2.368 0.924 -9.206 1.00 0.00 O ATOM 61 CB SER A 9 0.733 -1.694 -9.822 1.00 0.00 C ATOM 62 OG SER A 9 0.241 -2.453 -8.729 1.00 0.00 O ATOM 0 H SER A 9 2.185 -3.375 -8.878 1.00 0.00 H new ATOM 0 HA SER A 9 2.706 -1.205 -10.622 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.199 -0.746 -9.883 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.546 -2.226 -10.755 1.00 0.00 H new ATOM 0 HG SER A 9 0.525 -2.037 -7.888 1.00 0.00 H new ATOM 63 N CYS A 10 2.674 -0.471 -7.475 1.00 0.00 N ATOM 64 CA CYS A 10 2.827 0.502 -6.414 1.00 0.00 C ATOM 65 C CYS A 10 4.268 0.977 -6.359 1.00 0.00 C ATOM 66 O CYS A 10 4.531 2.161 -6.140 1.00 0.00 O ATOM 67 CB CYS A 10 2.411 -0.185 -5.110 1.00 0.00 C ATOM 68 SG CYS A 10 1.007 -1.341 -5.261 1.00 0.00 S ATOM 0 H CYS A 10 2.762 -1.427 -7.132 1.00 0.00 H new ATOM 0 HA CYS A 10 2.205 1.381 -6.582 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.269 -0.729 -4.714 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.154 0.582 -4.379 1.00 0.00 H new ATOM 69 N ILE A 11 5.190 0.037 -6.593 1.00 0.00 N ATOM 70 CA ILE A 11 6.634 0.227 -6.614 1.00 0.00 C ATOM 71 C ILE A 11 7.007 1.479 -7.427 1.00 0.00 C ATOM 72 O ILE A 11 7.986 2.147 -7.115 1.00 0.00 O ATOM 73 CB ILE A 11 7.293 -1.087 -7.119 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.310 -1.672 -6.122 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.006 -0.925 -8.471 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.704 -2.058 -4.764 1.00 0.00 C ATOM 0 H ILE A 11 4.927 -0.930 -6.783 1.00 0.00 H new ATOM 0 HA ILE A 11 7.021 0.420 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 11 6.452 -1.772 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.772 -2.554 -6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.104 -0.943 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.445 -1.878 -8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.287 -0.606 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.793 -0.176 -8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.484 -2.462 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.267 -1.176 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.930 -2.811 -4.912 1.00 0.00 H new ATOM 77 N GLY A 12 6.231 1.830 -8.458 1.00 0.00 N ATOM 78 CA GLY A 12 6.486 3.020 -9.257 1.00 0.00 C ATOM 79 C GLY A 12 6.495 4.300 -8.409 1.00 0.00 C ATOM 80 O GLY A 12 7.350 5.163 -8.602 1.00 0.00 O ATOM 0 H GLY A 12 5.414 1.297 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.445 2.916 -9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.724 3.105 -10.031 1.00 0.00 H new ATOM 81 N CYS A 13 5.548 4.429 -7.471 1.00 0.00 N ATOM 82 CA CYS A 13 5.421 5.597 -6.595 1.00 0.00 C ATOM 83 C CYS A 13 6.175 5.358 -5.294 1.00 0.00 C ATOM 84 O CYS A 13 6.903 6.219 -4.812 1.00 0.00 O ATOM 85 CB CYS A 13 3.944 5.853 -6.279 1.00 0.00 C ATOM 86 SG CYS A 13 3.495 7.544 -5.795 1.00 0.00 S ATOM 0 H CYS A 13 4.840 3.715 -7.298 1.00 0.00 H new ATOM 0 HA CYS A 13 5.842 6.464 -7.105 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.357 5.583 -7.157 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.646 5.179 -5.476 1.00 0.00 H new ATOM 87 N HIS A 14 5.997 4.161 -4.734 1.00 0.00 N ATOM 88 CA HIS A 14 6.606 3.740 -3.483 1.00 0.00 C ATOM 89 C HIS A 14 8.096 3.437 -3.619 1.00 0.00 C ATOM 90 O HIS A 14 8.788 3.257 -2.618 1.00 0.00 O ATOM 91 CB HIS A 14 5.806 2.540 -2.976 1.00 0.00 C ATOM 92 CG HIS A 14 4.505 3.014 -2.403 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.461 3.635 -1.168 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.228 3.091 -2.901 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.231 4.143 -1.028 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.402 3.739 -1.991 1.00 0.00 N ATOM 0 H HIS A 14 5.408 3.442 -5.154 1.00 0.00 H new ATOM 0 HA HIS A 14 6.566 4.553 -2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.623 1.840 -3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.376 2.003 -2.217 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.222 3.695 -0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.912 2.705 -3.859 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.942 4.806 -0.225 1.00 0.00 H new ATOM 97 N GLY A 15 8.613 3.400 -4.845 1.00 0.00 N ATOM 98 CA GLY A 15 10.008 3.129 -5.098 1.00 0.00 C ATOM 99 C GLY A 15 10.345 1.678 -4.837 1.00 0.00 C ATOM 100 O GLY A 15 9.498 0.878 -4.435 1.00 0.00 O ATOM 0 H GLY A 15 8.064 3.560 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.247 3.379 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.625 3.767 -4.465 1.00 0.00 H new ATOM 101 N ALA A 16 11.619 1.360 -5.059 1.00 0.00 N ATOM 102 CA ALA A 16 12.135 0.027 -4.866 1.00 0.00 C ATOM 103 C ALA A 16 11.911 -0.418 -3.428 1.00 0.00 C ATOM 104 O ALA A 16 12.626 -0.022 -2.509 1.00 0.00 O ATOM 105 CB ALA A 16 13.616 -0.023 -5.211 1.00 0.00 C ATOM 0 H ALA A 16 12.317 2.031 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 16 11.603 -0.654 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.991 -1.035 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.757 0.265 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.163 0.666 -4.567 1.00 0.00 H new ATOM 106 N ASP A 17 10.855 -1.201 -3.265 1.00 0.00 N ATOM 107 CA ASP A 17 10.442 -1.840 -2.046 1.00 0.00 C ATOM 108 C ASP A 17 10.166 -0.804 -0.961 1.00 0.00 C ATOM 109 O ASP A 17 10.839 -0.761 0.060 1.00 0.00 O ATOM 110 CB ASP A 17 11.509 -2.890 -1.713 1.00 0.00 C ATOM 111 CG ASP A 17 11.588 -3.947 -2.809 1.00 0.00 C ATOM 112 OD1 ASP A 17 10.563 -4.640 -2.996 1.00 0.00 O ATOM 113 OD2 ASP A 17 12.656 -4.030 -3.453 1.00 0.00 O ATOM 0 H ASP A 17 10.228 -1.415 -4.040 1.00 0.00 H new ATOM 0 HA ASP A 17 9.490 -2.361 -2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.479 -2.406 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.274 -3.364 -0.760 1.00 0.00 H new ATOM 114 N GLY A 18 9.171 0.051 -1.227 1.00 0.00 N ATOM 115 CA GLY A 18 8.663 1.081 -0.326 1.00 0.00 C ATOM 116 C GLY A 18 9.669 2.110 0.175 1.00 0.00 C ATOM 117 O GLY A 18 9.376 2.785 1.165 1.00 0.00 O ATOM 0 H GLY A 18 8.678 0.039 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.859 1.612 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.221 0.588 0.540 1.00 0.00 H new ATOM 118 N SER A 19 10.810 2.265 -0.501 1.00 0.00 N ATOM 119 CA SER A 19 11.851 3.195 -0.091 1.00 0.00 C ATOM 120 C SER A 19 11.575 4.649 -0.498 1.00 0.00 C ATOM 121 O SER A 19 12.090 5.556 0.151 1.00 0.00 O ATOM 122 CB SER A 19 13.189 2.739 -0.684 1.00 0.00 C ATOM 123 OG SER A 19 13.471 1.406 -0.304 1.00 0.00 O ATOM 0 H SER A 19 11.033 1.745 -1.350 1.00 0.00 H new ATOM 0 HA SER A 19 11.877 3.183 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.156 2.814 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.988 3.397 -0.343 1.00 0.00 H new ATOM 0 HG SER A 19 13.191 0.796 -1.018 1.00 0.00 H new ATOM 124 N LYS A 20 10.811 4.895 -1.569 1.00 0.00 N ATOM 125 CA LYS A 20 10.540 6.251 -2.038 1.00 0.00 C ATOM 126 C LYS A 20 9.265 6.791 -1.395 1.00 0.00 C ATOM 127 O LYS A 20 8.243 6.107 -1.313 1.00 0.00 O ATOM 128 CB LYS A 20 10.448 6.266 -3.569 1.00 0.00 C ATOM 129 CG LYS A 20 10.385 7.676 -4.175 1.00 0.00 C ATOM 130 CD LYS A 20 10.576 7.645 -5.701 1.00 0.00 C ATOM 131 CE LYS A 20 9.404 6.965 -6.420 1.00 0.00 C ATOM 132 NZ LYS A 20 9.612 6.893 -7.876 1.00 0.00 N ATOM 0 H LYS A 20 10.369 4.165 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 20 11.361 6.905 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.311 5.743 -3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.562 5.710 -3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.424 8.132 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.155 8.301 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.685 8.664 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.500 7.118 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.271 5.958 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.485 7.513 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.865 6.310 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.578 7.851 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.540 6.467 -8.073 1.00 0.00 H new ATOM 133 N ALA A 21 9.329 8.046 -0.951 1.00 0.00 N ATOM 134 CA ALA A 21 8.213 8.717 -0.316 1.00 0.00 C ATOM 135 C ALA A 21 7.182 9.123 -1.372 1.00 0.00 C ATOM 136 O ALA A 21 7.161 10.267 -1.818 1.00 0.00 O ATOM 137 CB ALA A 21 8.734 9.916 0.482 1.00 0.00 C ATOM 0 H ALA A 21 10.167 8.623 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 21 7.711 8.046 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.898 10.425 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.434 9.570 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.242 10.608 -0.190 1.00 0.00 H new ATOM 138 N ALA A 22 6.356 8.151 -1.772 1.00 0.00 N ATOM 139 CA ALA A 22 5.267 8.235 -2.742 1.00 0.00 C ATOM 140 C ALA A 22 4.679 9.645 -2.857 1.00 0.00 C ATOM 141 O ALA A 22 4.179 10.157 -1.862 1.00 0.00 O ATOM 142 CB ALA A 22 4.248 7.165 -2.350 1.00 0.00 C ATOM 0 H ALA A 22 6.442 7.208 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 22 5.631 8.041 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.411 7.187 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.721 6.183 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.885 7.361 -1.341 1.00 0.00 H new ATOM 143 N MET A 23 4.778 10.235 -4.066 1.00 0.00 N ATOM 144 CA MET A 23 4.366 11.569 -4.525 1.00 0.00 C ATOM 145 C MET A 23 4.043 12.552 -3.404 1.00 0.00 C ATOM 146 O MET A 23 4.808 13.488 -3.181 1.00 0.00 O ATOM 147 CB MET A 23 3.198 11.469 -5.515 1.00 0.00 C ATOM 148 CG MET A 23 3.666 11.007 -6.902 1.00 0.00 C ATOM 149 SD MET A 23 4.831 12.101 -7.756 1.00 0.00 S ATOM 150 CE MET A 23 5.083 11.155 -9.273 1.00 0.00 C ATOM 0 H MET A 23 5.203 9.718 -4.836 1.00 0.00 H new ATOM 0 HA MET A 23 5.238 11.983 -5.031 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.454 10.771 -5.131 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.710 12.440 -5.601 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.130 10.026 -6.798 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.788 10.879 -7.535 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.779 11.686 -9.922 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.492 10.175 -9.027 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.130 11.032 -9.787 1.00 0.00 H new ATOM 151 N GLY A 24 2.930 12.374 -2.692 1.00 0.00 N ATOM 152 CA GLY A 24 2.564 13.231 -1.573 1.00 0.00 C ATOM 153 C GLY A 24 3.422 12.953 -0.334 1.00 0.00 C ATOM 154 O GLY A 24 2.917 12.952 0.784 1.00 0.00 O ATOM 0 H GLY A 24 2.258 11.629 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.675 14.275 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.513 13.079 -1.328 1.00 0.00 H new ATOM 155 N SER A 25 4.727 12.747 -0.536 1.00 0.00 N ATOM 156 CA SER A 25 5.732 12.479 0.466 1.00 0.00 C ATOM 157 C SER A 25 5.295 11.364 1.408 1.00 0.00 C ATOM 158 O SER A 25 5.340 11.568 2.622 1.00 0.00 O ATOM 159 CB SER A 25 6.037 13.776 1.226 1.00 0.00 C ATOM 160 OG SER A 25 6.427 14.782 0.311 1.00 0.00 O ATOM 0 H SER A 25 5.125 12.767 -1.475 1.00 0.00 H new ATOM 0 HA SER A 25 6.643 12.131 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.157 14.098 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.830 13.605 1.954 1.00 0.00 H new ATOM 0 HG SER A 25 6.620 15.610 0.798 1.00 0.00 H new ATOM 161 N ALA A 26 4.889 10.189 0.897 1.00 0.00 N ATOM 162 CA ALA A 26 4.493 9.149 1.826 1.00 0.00 C ATOM 163 C ALA A 26 5.596 8.813 2.818 1.00 0.00 C ATOM 164 O ALA A 26 6.754 8.691 2.431 1.00 0.00 O ATOM 165 CB ALA A 26 4.159 7.870 1.066 1.00 0.00 C ATOM 0 H ALA A 26 4.832 9.955 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 26 3.627 9.529 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.863 7.094 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.340 8.062 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.035 7.538 0.509 1.00 0.00 H new ATOM 166 N LYS A 27 5.247 8.668 4.097 1.00 0.00 N ATOM 167 CA LYS A 27 6.212 8.211 5.083 1.00 0.00 C ATOM 168 C LYS A 27 6.602 6.836 4.527 1.00 0.00 C ATOM 169 O LYS A 27 5.684 6.028 4.351 1.00 0.00 O ATOM 170 CB LYS A 27 5.559 8.119 6.468 1.00 0.00 C ATOM 171 CG LYS A 27 5.091 9.500 6.948 1.00 0.00 C ATOM 172 CD LYS A 27 4.382 9.377 8.303 1.00 0.00 C ATOM 173 CE LYS A 27 3.901 10.740 8.817 1.00 0.00 C ATOM 174 NZ LYS A 27 2.888 11.342 7.930 1.00 0.00 N ATOM 0 H LYS A 27 4.315 8.859 4.466 1.00 0.00 H new ATOM 0 HA LYS A 27 7.069 8.870 5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.710 7.437 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.270 7.703 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.945 10.171 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.415 9.939 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.531 8.703 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.062 8.933 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.483 10.623 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.752 11.415 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.469 12.173 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.337 11.634 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.143 10.644 7.730 1.00 0.00 H new ATOM 175 N PRO A 28 7.879 6.597 4.164 1.00 0.00 N ATOM 176 CA PRO A 28 8.330 5.370 3.527 1.00 0.00 C ATOM 177 C PRO A 28 7.529 4.154 3.963 1.00 0.00 C ATOM 178 O PRO A 28 7.479 3.824 5.147 1.00 0.00 O ATOM 179 CB PRO A 28 9.808 5.237 3.861 1.00 0.00 C ATOM 180 CG PRO A 28 10.252 6.700 3.916 1.00 0.00 C ATOM 181 CD PRO A 28 9.027 7.440 4.463 1.00 0.00 C ATOM 0 HA PRO A 28 8.176 5.420 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.968 4.726 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.350 4.674 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.119 6.830 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.533 7.069 2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.119 7.606 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.923 8.420 3.996 1.00 0.00 H new ATOM 182 N VAL A 29 6.860 3.521 2.997 1.00 0.00 N ATOM 183 CA VAL A 29 6.057 2.345 3.283 1.00 0.00 C ATOM 184 C VAL A 29 7.021 1.301 3.873 1.00 0.00 C ATOM 185 O VAL A 29 6.633 0.526 4.745 1.00 0.00 O ATOM 186 CB VAL A 29 5.262 1.897 2.044 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.700 0.493 2.244 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.035 2.802 1.859 1.00 0.00 C ATOM 0 H VAL A 29 6.862 3.806 2.018 1.00 0.00 H new ATOM 0 HA VAL A 29 5.272 2.534 4.015 1.00 0.00 H new ATOM 0 HB VAL A 29 5.941 1.939 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.141 0.195 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.519 -0.207 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.037 0.486 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.475 2.481 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.397 2.735 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.361 3.834 1.725 1.00 0.00 H new ATOM 189 N LYS A 30 8.285 1.288 3.423 1.00 0.00 N ATOM 190 CA LYS A 30 9.316 0.442 3.987 1.00 0.00 C ATOM 191 C LYS A 30 9.526 0.789 5.452 1.00 0.00 C ATOM 192 O LYS A 30 10.201 1.758 5.796 1.00 0.00 O ATOM 193 CB LYS A 30 10.605 0.601 3.190 1.00 0.00 C ATOM 194 CG LYS A 30 11.886 0.030 3.819 1.00 0.00 C ATOM 195 CD LYS A 30 12.994 0.023 2.757 1.00 0.00 C ATOM 196 CE LYS A 30 14.293 -0.591 3.289 1.00 0.00 C ATOM 197 NZ LYS A 30 14.183 -2.051 3.457 1.00 0.00 N ATOM 0 H LYS A 30 8.610 1.872 2.653 1.00 0.00 H new ATOM 0 HA LYS A 30 9.006 -0.601 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.464 0.127 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.762 1.664 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.187 0.633 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.709 -0.981 4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.658 -0.539 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.185 1.043 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.109 -0.365 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.545 -0.134 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.098 -2.434 3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.456 -2.265 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.917 -2.486 2.550 1.00 0.00 H new ATOM 198 N GLY A 31 8.921 -0.037 6.294 1.00 0.00 N ATOM 199 CA GLY A 31 8.985 0.065 7.740 1.00 0.00 C ATOM 200 C GLY A 31 7.597 0.159 8.357 1.00 0.00 C ATOM 201 O GLY A 31 7.460 -0.025 9.566 1.00 0.00 O ATOM 0 H GLY A 31 8.353 -0.822 5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.505 -0.804 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.568 0.943 8.018 1.00 0.00 H new ATOM 202 N GLN A 32 6.564 0.469 7.564 1.00 0.00 N ATOM 203 CA GLN A 32 5.222 0.544 8.099 1.00 0.00 C ATOM 204 C GLN A 32 4.800 -0.886 8.505 1.00 0.00 C ATOM 205 O GLN A 32 5.247 -1.858 7.897 1.00 0.00 O ATOM 206 CB GLN A 32 4.289 1.203 7.077 1.00 0.00 C ATOM 207 CG GLN A 32 4.469 2.726 6.850 1.00 0.00 C ATOM 208 CD GLN A 32 3.354 3.297 5.953 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.223 2.843 6.067 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.608 4.260 5.051 1.00 0.00 N ATOM 0 H GLN A 32 6.641 0.667 6.566 1.00 0.00 H new ATOM 0 HA GLN A 32 5.169 1.173 8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.422 0.698 6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.260 1.025 7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.465 3.241 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.440 2.915 6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.552 4.636 4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.857 4.615 4.459 1.00 0.00 H new ATOM 211 N GLY A 33 3.957 -1.039 9.534 1.00 0.00 N ATOM 212 CA GLY A 33 3.568 -2.357 10.052 1.00 0.00 C ATOM 213 C GLY A 33 2.390 -3.004 9.321 1.00 0.00 C ATOM 214 O GLY A 33 1.472 -2.306 8.918 1.00 0.00 O ATOM 0 H GLY A 33 3.527 -0.257 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.427 -3.025 9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.314 -2.258 11.107 1.00 0.00 H new ATOM 215 N ALA A 34 2.364 -4.336 9.186 1.00 0.00 N ATOM 216 CA ALA A 34 1.313 -5.091 8.502 1.00 0.00 C ATOM 217 C ALA A 34 -0.075 -4.679 8.964 1.00 0.00 C ATOM 218 O ALA A 34 -0.945 -4.425 8.139 1.00 0.00 O ATOM 219 CB ALA A 34 1.492 -6.595 8.745 1.00 0.00 C ATOM 0 H ALA A 34 3.099 -4.935 9.563 1.00 0.00 H new ATOM 0 HA ALA A 34 1.403 -4.870 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.703 -7.143 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.463 -6.912 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.438 -6.800 9.814 1.00 0.00 H new ATOM 220 N GLU A 35 -0.282 -4.630 10.280 1.00 0.00 N ATOM 221 CA GLU A 35 -1.570 -4.243 10.842 1.00 0.00 C ATOM 222 C GLU A 35 -1.959 -2.866 10.299 1.00 0.00 C ATOM 223 O GLU A 35 -3.073 -2.667 9.820 1.00 0.00 O ATOM 224 CB GLU A 35 -1.483 -4.250 12.375 1.00 0.00 C ATOM 225 CG GLU A 35 -2.849 -3.981 13.019 1.00 0.00 C ATOM 226 CD GLU A 35 -2.756 -4.018 14.540 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.340 -2.984 15.106 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.087 -5.083 15.106 1.00 0.00 O ATOM 0 H GLU A 35 0.429 -4.855 10.976 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.344 -4.953 10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.104 -5.214 12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.770 -3.494 12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.220 -3.008 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.568 -4.725 12.677 1.00 0.00 H new ATOM 229 N GLU A 36 -1.008 -1.932 10.360 1.00 0.00 N ATOM 230 CA GLU A 36 -1.156 -0.569 9.885 1.00 0.00 C ATOM 231 C GLU A 36 -1.559 -0.620 8.410 1.00 0.00 C ATOM 232 O GLU A 36 -2.670 -0.248 8.044 1.00 0.00 O ATOM 233 CB GLU A 36 0.188 0.158 10.103 1.00 0.00 C ATOM 234 CG GLU A 36 0.118 1.687 10.118 1.00 0.00 C ATOM 235 CD GLU A 36 1.513 2.312 10.237 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.506 1.549 10.167 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.559 3.550 10.400 1.00 0.00 O ATOM 0 H GLU A 36 -0.086 -2.117 10.756 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.929 -0.022 10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.613 -0.178 11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.878 -0.149 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.363 2.039 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.502 2.016 10.952 1.00 0.00 H new ATOM 238 N LEU A 37 -0.658 -1.141 7.580 1.00 0.00 N ATOM 239 CA LEU A 37 -0.805 -1.271 6.149 1.00 0.00 C ATOM 240 C LEU A 37 -2.138 -1.909 5.762 1.00 0.00 C ATOM 241 O LEU A 37 -2.796 -1.445 4.836 1.00 0.00 O ATOM 242 CB LEU A 37 0.369 -2.079 5.566 1.00 0.00 C ATOM 243 CG LEU A 37 1.755 -1.461 5.821 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.849 -2.531 5.806 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.063 -0.459 4.719 1.00 0.00 C ATOM 0 H LEU A 37 0.237 -1.499 7.914 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.795 -0.266 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.349 -3.083 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.224 -2.184 4.491 1.00 0.00 H new ATOM 0 HG LEU A 37 1.737 -0.981 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.817 -2.064 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.648 -3.267 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.862 -3.024 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.044 -0.017 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.060 -0.967 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.306 0.326 4.719 1.00 0.00 H new ATOM 246 N TYR A 38 -2.554 -2.964 6.460 1.00 0.00 N ATOM 247 CA TYR A 38 -3.784 -3.661 6.160 1.00 0.00 C ATOM 248 C TYR A 38 -4.978 -2.820 6.558 1.00 0.00 C ATOM 249 O TYR A 38 -5.957 -2.765 5.823 1.00 0.00 O ATOM 250 CB TYR A 38 -3.785 -4.976 6.921 1.00 0.00 C ATOM 251 CG TYR A 38 -5.073 -5.764 6.802 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.408 -6.436 5.610 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.999 -5.711 7.859 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.629 -7.131 5.515 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.217 -6.396 7.761 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.519 -7.130 6.606 1.00 0.00 C ATOM 257 OH TYR A 38 -8.676 -7.846 6.580 1.00 0.00 O ATOM 0 H TYR A 38 -2.040 -3.354 7.250 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.852 -3.851 5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.961 -5.592 6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.593 -4.773 7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.729 -6.418 4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.771 -5.141 8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.882 -7.662 4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.924 -6.358 8.576 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.786 -8.258 5.698 1.00 0.00 H new ATOM 258 N LYS A 39 -4.910 -2.176 7.721 1.00 0.00 N ATOM 259 CA LYS A 39 -6.011 -1.344 8.174 1.00 0.00 C ATOM 260 C LYS A 39 -6.188 -0.202 7.174 1.00 0.00 C ATOM 261 O LYS A 39 -7.306 0.148 6.792 1.00 0.00 O ATOM 262 CB LYS A 39 -5.713 -0.829 9.589 1.00 0.00 C ATOM 263 CG LYS A 39 -6.882 -0.026 10.171 1.00 0.00 C ATOM 264 CD LYS A 39 -6.542 0.418 11.601 1.00 0.00 C ATOM 265 CE LYS A 39 -7.645 1.295 12.205 1.00 0.00 C ATOM 266 NZ LYS A 39 -8.919 0.566 12.342 1.00 0.00 N ATOM 0 H LYS A 39 -4.113 -2.216 8.356 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.941 -1.911 8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.493 -1.673 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.821 -0.204 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.084 0.845 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.787 -0.633 10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.393 -0.461 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.602 0.969 11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.327 1.655 13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.795 2.172 11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.602 1.155 12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.297 0.348 11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.758 -0.319 12.864 1.00 0.00 H new ATOM 267 N LYS A 40 -5.067 0.355 6.719 1.00 0.00 N ATOM 268 CA LYS A 40 -5.057 1.458 5.802 1.00 0.00 C ATOM 269 C LYS A 40 -5.587 1.017 4.440 1.00 0.00 C ATOM 270 O LYS A 40 -6.459 1.676 3.877 1.00 0.00 O ATOM 271 CB LYS A 40 -3.623 1.968 5.720 1.00 0.00 C ATOM 272 CG LYS A 40 -3.047 2.664 6.969 1.00 0.00 C ATOM 273 CD LYS A 40 -4.043 3.067 8.068 1.00 0.00 C ATOM 274 CE LYS A 40 -3.324 3.688 9.273 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.472 4.832 8.897 1.00 0.00 N ATOM 0 H LYS A 40 -4.136 0.038 6.989 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.709 2.262 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.978 1.123 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.561 2.667 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.304 2.002 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.521 3.561 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.763 3.779 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.606 2.191 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.064 4.015 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.712 2.928 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.326 5.443 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.553 4.483 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.936 5.377 8.142 1.00 0.00 H new ATOM 276 N MET A 41 -5.082 -0.097 3.903 1.00 0.00 N ATOM 277 CA MET A 41 -5.540 -0.590 2.619 1.00 0.00 C ATOM 278 C MET A 41 -6.994 -1.019 2.696 1.00 0.00 C ATOM 279 O MET A 41 -7.705 -0.826 1.722 1.00 0.00 O ATOM 280 CB MET A 41 -4.674 -1.739 2.130 1.00 0.00 C ATOM 281 CG MET A 41 -3.369 -1.193 1.558 1.00 0.00 C ATOM 282 SD MET A 41 -2.381 -2.423 0.688 1.00 0.00 S ATOM 283 CE MET A 41 -1.889 -3.411 2.106 1.00 0.00 C ATOM 0 H MET A 41 -4.359 -0.667 4.342 1.00 0.00 H new ATOM 0 HA MET A 41 -5.456 0.226 1.901 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.464 -2.424 2.952 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.206 -2.309 1.368 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.598 -0.375 0.874 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.776 -0.773 2.370 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.967 -3.945 1.875 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.726 -2.759 2.965 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.675 -4.129 2.339 1.00 0.00 H new ATOM 284 N LYS A 42 -7.447 -1.618 3.799 1.00 0.00 N ATOM 285 CA LYS A 42 -8.853 -1.970 3.940 1.00 0.00 C ATOM 286 C LYS A 42 -9.630 -0.656 3.823 1.00 0.00 C ATOM 287 O LYS A 42 -10.606 -0.552 3.083 1.00 0.00 O ATOM 288 CB LYS A 42 -9.091 -2.669 5.288 1.00 0.00 C ATOM 289 CG LYS A 42 -10.540 -3.144 5.482 1.00 0.00 C ATOM 290 CD LYS A 42 -11.001 -4.221 4.486 1.00 0.00 C ATOM 291 CE LYS A 42 -10.148 -5.493 4.577 1.00 0.00 C ATOM 292 NZ LYS A 42 -10.712 -6.587 3.768 1.00 0.00 N ATOM 0 H LYS A 42 -6.864 -1.866 4.598 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.183 -2.672 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.422 -3.526 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.830 -1.984 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.648 -3.534 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.204 -2.284 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.044 -4.470 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.951 -3.823 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.134 -5.276 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.077 -5.810 5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.234 -7.479 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.729 -6.675 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.571 -6.381 2.758 1.00 0.00 H new ATOM 293 N GLY A 43 -9.139 0.366 4.530 1.00 0.00 N ATOM 294 CA GLY A 43 -9.698 1.697 4.506 1.00 0.00 C ATOM 295 C GLY A 43 -9.808 2.210 3.069 1.00 0.00 C ATOM 296 O GLY A 43 -10.902 2.558 2.639 1.00 0.00 O ATOM 0 H GLY A 43 -8.328 0.277 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.683 1.692 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.072 2.371 5.091 1.00 0.00 H new ATOM 297 N TYR A 44 -8.705 2.252 2.312 1.00 0.00 N ATOM 298 CA TYR A 44 -8.733 2.737 0.936 1.00 0.00 C ATOM 299 C TYR A 44 -9.637 1.856 0.071 1.00 0.00 C ATOM 300 O TYR A 44 -10.463 2.371 -0.677 1.00 0.00 O ATOM 301 CB TYR A 44 -7.310 2.790 0.363 1.00 0.00 C ATOM 302 CG TYR A 44 -6.400 3.846 0.967 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.760 5.208 0.924 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.125 3.484 1.441 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.872 6.187 1.400 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.228 4.469 1.880 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.599 5.822 1.863 1.00 0.00 C ATOM 308 OH TYR A 44 -3.742 6.783 2.303 1.00 0.00 O ATOM 0 H TYR A 44 -7.784 1.955 2.634 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.144 3.747 0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.845 1.814 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.376 2.964 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.720 5.500 0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.836 2.444 1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.171 7.225 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.248 4.185 2.233 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.994 6.362 2.776 1.00 0.00 H new ATOM 309 N ALA A 45 -9.503 0.533 0.182 1.00 0.00 N ATOM 310 CA ALA A 45 -10.289 -0.451 -0.551 1.00 0.00 C ATOM 311 C ALA A 45 -11.779 -0.115 -0.412 1.00 0.00 C ATOM 312 O ALA A 45 -12.511 -0.094 -1.399 1.00 0.00 O ATOM 313 CB ALA A 45 -10.014 -1.859 -0.020 1.00 0.00 C ATOM 0 H ALA A 45 -8.819 0.106 0.807 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.007 -0.422 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.609 -2.581 -0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.956 -2.092 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.281 -1.908 1.036 1.00 0.00 H new ATOM 314 N ASP A 46 -12.203 0.182 0.823 1.00 0.00 N ATOM 315 CA ASP A 46 -13.583 0.513 1.165 1.00 0.00 C ATOM 316 C ASP A 46 -13.858 2.025 1.117 1.00 0.00 C ATOM 317 O ASP A 46 -14.911 2.460 1.579 1.00 0.00 O ATOM 318 CB ASP A 46 -13.887 -0.030 2.573 1.00 0.00 C ATOM 319 CG ASP A 46 -13.687 -1.540 2.713 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.855 -2.248 1.696 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.382 -1.965 3.848 1.00 0.00 O ATOM 0 H ASP A 46 -11.577 0.198 1.628 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.234 0.051 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.247 0.479 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.917 0.215 2.832 1.00 0.00 H new ATOM 322 N GLY A 47 -12.938 2.841 0.589 1.00 0.00 N ATOM 323 CA GLY A 47 -13.077 4.292 0.489 1.00 0.00 C ATOM 324 C GLY A 47 -13.429 4.961 1.822 1.00 0.00 C ATOM 325 O GLY A 47 -14.160 5.948 1.844 1.00 0.00 O ATOM 0 H GLY A 47 -12.055 2.498 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.145 4.714 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.850 4.526 -0.242 1.00 0.00 H new ATOM 326 N SER A 48 -12.881 4.445 2.926 1.00 0.00 N ATOM 327 CA SER A 48 -13.113 4.907 4.285 1.00 0.00 C ATOM 328 C SER A 48 -11.811 5.298 4.997 1.00 0.00 C ATOM 329 O SER A 48 -11.695 5.097 6.206 1.00 0.00 O ATOM 330 CB SER A 48 -13.827 3.770 5.024 1.00 0.00 C ATOM 331 OG SER A 48 -14.257 4.196 6.301 1.00 0.00 O ATOM 0 H SER A 48 -12.234 3.657 2.888 1.00 0.00 H new ATOM 0 HA SER A 48 -13.722 5.811 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.683 3.432 4.441 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.155 2.918 5.127 1.00 0.00 H new ATOM 0 HG SER A 48 -13.517 4.642 6.764 1.00 0.00 H new ATOM 332 N TYR A 49 -10.830 5.841 4.273 1.00 0.00 N ATOM 333 CA TYR A 49 -9.550 6.285 4.816 1.00 0.00 C ATOM 334 C TYR A 49 -8.944 7.265 3.815 1.00 0.00 C ATOM 335 O TYR A 49 -9.390 7.310 2.669 1.00 0.00 O ATOM 336 CB TYR A 49 -8.642 5.077 5.078 1.00 0.00 C ATOM 337 CG TYR A 49 -7.245 5.398 5.578 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.062 6.131 6.765 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.124 5.000 4.829 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.772 6.542 7.147 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.835 5.391 5.227 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.660 6.206 6.356 1.00 0.00 C ATOM 343 OH TYR A 49 -3.409 6.540 6.782 1.00 0.00 O ATOM 0 H TYR A 49 -10.909 5.987 3.267 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.675 6.788 5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.130 4.431 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.555 4.505 4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.912 6.378 7.383 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.254 4.392 3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.636 7.117 8.051 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.975 5.063 4.662 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.743 6.041 6.264 1.00 0.00 H new ATOM 344 N GLY A 50 -7.957 8.058 4.244 1.00 0.00 N ATOM 345 CA GLY A 50 -7.325 9.046 3.391 1.00 0.00 C ATOM 346 C GLY A 50 -5.855 9.288 3.710 1.00 0.00 C ATOM 347 O GLY A 50 -5.271 8.657 4.586 1.00 0.00 O ATOM 0 H GLY A 50 -7.581 8.026 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.413 8.725 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.866 9.988 3.481 1.00 0.00 H new ATOM 348 N GLY A 51 -5.296 10.247 2.973 1.00 0.00 N ATOM 349 CA GLY A 51 -3.958 10.740 2.936 1.00 0.00 C ATOM 350 C GLY A 51 -3.849 11.681 1.740 1.00 0.00 C ATOM 351 O GLY A 51 -4.814 11.853 0.989 1.00 0.00 O ATOM 0 H GLY A 51 -5.871 10.754 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.717 11.265 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.249 9.918 2.843 1.00 0.00 H new ATOM 352 N GLU A 52 -2.677 12.283 1.585 1.00 0.00 N ATOM 353 CA GLU A 52 -2.324 13.220 0.525 1.00 0.00 C ATOM 354 C GLU A 52 -2.760 12.748 -0.866 1.00 0.00 C ATOM 355 O GLU A 52 -3.201 13.570 -1.668 1.00 0.00 O ATOM 356 CB GLU A 52 -0.803 13.441 0.537 1.00 0.00 C ATOM 357 CG GLU A 52 -0.377 14.532 1.527 1.00 0.00 C ATOM 358 CD GLU A 52 -0.815 15.924 1.071 1.00 0.00 C ATOM 359 OE1 GLU A 52 -0.566 16.245 -0.114 1.00 0.00 O ATOM 360 OE2 GLU A 52 -1.400 16.639 1.913 1.00 0.00 O ATOM 0 H GLU A 52 -1.904 12.122 2.231 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.857 14.149 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.305 12.506 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.471 13.714 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.806 14.320 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.707 14.513 1.643 1.00 0.00 H new ATOM 361 N ARG A 53 -2.598 11.460 -1.180 1.00 0.00 N ATOM 362 CA ARG A 53 -2.953 10.907 -2.485 1.00 0.00 C ATOM 363 C ARG A 53 -3.989 9.791 -2.346 1.00 0.00 C ATOM 364 O ARG A 53 -3.997 8.853 -3.141 1.00 0.00 O ATOM 365 CB ARG A 53 -1.676 10.420 -3.190 1.00 0.00 C ATOM 366 CG ARG A 53 -0.611 11.519 -3.341 1.00 0.00 C ATOM 367 CD ARG A 53 -1.019 12.632 -4.314 1.00 0.00 C ATOM 368 NE ARG A 53 -0.009 13.700 -4.332 1.00 0.00 N ATOM 369 CZ ARG A 53 0.023 14.765 -3.513 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.951 14.992 -2.624 1.00 0.00 N ATOM 371 NH2 ARG A 53 1.056 15.610 -3.583 1.00 0.00 N ATOM 0 H ARG A 53 -2.215 10.771 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.413 11.684 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.253 9.588 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.937 10.038 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.410 11.957 -2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.320 11.068 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.139 12.220 -5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.985 13.043 -4.021 1.00 0.00 H new ATOM 0 HE ARG A 53 0.733 13.626 -5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.740 14.349 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.904 15.808 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.807 15.443 -4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.093 16.422 -2.967 1.00 0.00 H new ATOM 372 N LYS A 54 -4.905 9.918 -1.380 1.00 0.00 N ATOM 373 CA LYS A 54 -5.952 8.971 -1.089 1.00 0.00 C ATOM 374 C LYS A 54 -6.731 8.495 -2.318 1.00 0.00 C ATOM 375 O LYS A 54 -7.087 7.324 -2.406 1.00 0.00 O ATOM 376 CB LYS A 54 -6.908 9.668 -0.129 1.00 0.00 C ATOM 377 CG LYS A 54 -7.515 11.004 -0.591 1.00 0.00 C ATOM 378 CD LYS A 54 -8.284 11.649 0.570 1.00 0.00 C ATOM 379 CE LYS A 54 -8.897 12.996 0.167 1.00 0.00 C ATOM 380 NZ LYS A 54 -7.863 14.002 -0.137 1.00 0.00 N ATOM 0 H LYS A 54 -4.925 10.727 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.495 8.074 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.727 8.982 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.379 9.843 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.727 11.674 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.184 10.838 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.074 10.975 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.612 11.794 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.536 12.858 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.533 13.361 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.309 14.934 -0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.178 14.043 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.371 13.740 -1.015 1.00 0.00 H new ATOM 381 N ALA A 55 -7.040 9.409 -3.242 1.00 0.00 N ATOM 382 CA ALA A 55 -7.800 9.093 -4.446 1.00 0.00 C ATOM 383 C ALA A 55 -7.022 8.097 -5.303 1.00 0.00 C ATOM 384 O ALA A 55 -7.529 7.031 -5.657 1.00 0.00 O ATOM 385 CB ALA A 55 -8.087 10.383 -5.221 1.00 0.00 C ATOM 0 H ALA A 55 -6.768 10.390 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.751 8.635 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.655 10.148 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.665 11.063 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.146 10.857 -5.499 1.00 0.00 H new ATOM 386 N MET A 56 -5.774 8.456 -5.614 1.00 0.00 N ATOM 387 CA MET A 56 -4.881 7.624 -6.401 1.00 0.00 C ATOM 388 C MET A 56 -4.741 6.285 -5.684 1.00 0.00 C ATOM 389 O MET A 56 -4.873 5.231 -6.297 1.00 0.00 O ATOM 390 CB MET A 56 -3.509 8.296 -6.579 1.00 0.00 C ATOM 391 CG MET A 56 -3.584 9.666 -7.269 1.00 0.00 C ATOM 392 SD MET A 56 -3.879 11.090 -6.184 1.00 0.00 S ATOM 393 CE MET A 56 -4.260 12.350 -7.419 1.00 0.00 C ATOM 0 H MET A 56 -5.358 9.340 -5.321 1.00 0.00 H new ATOM 0 HA MET A 56 -5.292 7.477 -7.400 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.042 8.415 -5.601 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.864 7.639 -7.162 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.650 9.831 -7.806 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.379 9.632 -8.014 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.468 13.297 -6.921 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.409 12.472 -8.089 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.133 12.043 -7.994 1.00 0.00 H new ATOM 394 N MET A 57 -4.518 6.339 -4.370 1.00 0.00 N ATOM 395 CA MET A 57 -4.372 5.164 -3.533 1.00 0.00 C ATOM 396 C MET A 57 -5.577 4.238 -3.651 1.00 0.00 C ATOM 397 O MET A 57 -5.439 3.040 -3.890 1.00 0.00 O ATOM 398 CB MET A 57 -4.167 5.610 -2.074 1.00 0.00 C ATOM 399 CG MET A 57 -2.686 5.586 -1.710 1.00 0.00 C ATOM 400 SD MET A 57 -1.903 3.993 -2.033 1.00 0.00 S ATOM 401 CE MET A 57 -2.845 2.843 -1.000 1.00 0.00 C ATOM 0 H MET A 57 -4.434 7.217 -3.857 1.00 0.00 H new ATOM 0 HA MET A 57 -3.503 4.599 -3.869 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.565 6.615 -1.936 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.722 4.952 -1.405 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.167 6.360 -2.275 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.574 5.832 -0.654 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.637 1.820 -1.312 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.556 2.971 0.043 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.911 3.046 -1.109 1.00 0.00 H new ATOM 402 N THR A 58 -6.773 4.788 -3.478 1.00 0.00 N ATOM 403 CA THR A 58 -8.001 4.026 -3.584 1.00 0.00 C ATOM 404 C THR A 58 -8.043 3.368 -4.961 1.00 0.00 C ATOM 405 O THR A 58 -8.217 2.154 -5.060 1.00 0.00 O ATOM 406 CB THR A 58 -9.185 4.970 -3.326 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.089 5.467 -2.006 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.529 4.266 -3.496 1.00 0.00 C ATOM 0 H THR A 58 -6.914 5.775 -3.261 1.00 0.00 H new ATOM 0 HA THR A 58 -8.056 3.229 -2.842 1.00 0.00 H new ATOM 0 HB THR A 58 -9.139 5.778 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.386 6.149 -1.963 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.337 4.972 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.614 3.886 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.597 3.437 -2.792 1.00 0.00 H new ATOM 409 N ASN A 59 -7.830 4.151 -6.023 1.00 0.00 N ATOM 410 CA ASN A 59 -7.817 3.612 -7.378 1.00 0.00 C ATOM 411 C ASN A 59 -6.757 2.508 -7.491 1.00 0.00 C ATOM 412 O ASN A 59 -6.963 1.535 -8.213 1.00 0.00 O ATOM 413 CB ASN A 59 -7.537 4.738 -8.384 1.00 0.00 C ATOM 414 CG ASN A 59 -7.956 4.418 -9.822 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.395 5.310 -10.539 1.00 0.00 O ATOM 416 ND2 ASN A 59 -7.845 3.176 -10.286 1.00 0.00 N ATOM 0 H ASN A 59 -7.665 5.156 -5.967 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.792 3.180 -7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.058 5.638 -8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.471 4.964 -8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.126 2.962 -11.243 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.479 2.438 -9.685 1.00 0.00 H new ATOM 417 N ALA A 60 -5.627 2.657 -6.795 1.00 0.00 N ATOM 418 CA ALA A 60 -4.541 1.698 -6.820 1.00 0.00 C ATOM 419 C ALA A 60 -4.965 0.369 -6.197 1.00 0.00 C ATOM 420 O ALA A 60 -4.768 -0.671 -6.816 1.00 0.00 O ATOM 421 CB ALA A 60 -3.314 2.266 -6.090 1.00 0.00 C ATOM 0 H ALA A 60 -5.447 3.461 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.277 1.511 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.505 1.536 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.991 3.184 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.575 2.482 -5.054 1.00 0.00 H new ATOM 422 N VAL A 61 -5.548 0.368 -4.994 1.00 0.00 N ATOM 423 CA VAL A 61 -5.878 -0.908 -4.358 1.00 0.00 C ATOM 424 C VAL A 61 -7.192 -1.498 -4.880 1.00 0.00 C ATOM 425 O VAL A 61 -7.347 -2.719 -4.821 1.00 0.00 O ATOM 426 CB VAL A 61 -5.908 -0.787 -2.823 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.775 0.065 -2.259 1.00 0.00 C ATOM 428 CG2 VAL A 61 -7.228 -0.337 -2.216 1.00 0.00 C ATOM 0 H VAL A 61 -5.793 1.202 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.081 -1.600 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.767 -1.824 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.858 0.107 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.817 -0.376 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.840 1.073 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.132 -0.288 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.489 0.648 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.011 -1.049 -2.479 1.00 0.00 H new ATOM 429 N LYS A 62 -8.145 -0.678 -5.353 1.00 0.00 N ATOM 430 CA LYS A 62 -9.436 -1.168 -5.838 1.00 0.00 C ATOM 431 C LYS A 62 -9.294 -1.931 -7.163 1.00 0.00 C ATOM 432 O LYS A 62 -9.612 -1.450 -8.248 1.00 0.00 O ATOM 433 CB LYS A 62 -10.465 -0.033 -5.919 1.00 0.00 C ATOM 434 CG LYS A 62 -10.889 0.397 -4.504 1.00 0.00 C ATOM 435 CD LYS A 62 -12.107 1.333 -4.507 1.00 0.00 C ATOM 436 CE LYS A 62 -13.430 0.645 -4.873 1.00 0.00 C ATOM 437 NZ LYS A 62 -13.725 -0.491 -3.980 1.00 0.00 N ATOM 0 H LYS A 62 -8.039 0.335 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.814 -1.887 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.040 0.816 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.337 -0.362 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.119 -0.490 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.053 0.897 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.206 1.784 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.926 2.144 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.243 1.369 -4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.383 0.294 -5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.754 -0.584 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.343 -1.366 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.286 -0.326 -3.052 1.00 0.00 H new ATOM 438 N LYS A 63 -8.833 -3.163 -6.992 1.00 0.00 N ATOM 439 CA LYS A 63 -8.579 -4.250 -7.909 1.00 0.00 C ATOM 440 C LYS A 63 -8.329 -5.501 -7.051 1.00 0.00 C ATOM 441 O LYS A 63 -8.709 -6.604 -7.436 1.00 0.00 O ATOM 442 CB LYS A 63 -7.403 -3.954 -8.841 1.00 0.00 C ATOM 443 CG LYS A 63 -6.174 -3.263 -8.237 1.00 0.00 C ATOM 444 CD LYS A 63 -4.979 -3.504 -9.173 1.00 0.00 C ATOM 445 CE LYS A 63 -3.778 -2.626 -8.812 1.00 0.00 C ATOM 446 NZ LYS A 63 -2.552 -3.075 -9.494 1.00 0.00 N ATOM 0 H LYS A 63 -8.592 -3.461 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.434 -4.400 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.076 -4.897 -9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.770 -3.333 -9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.357 -2.195 -8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.965 -3.660 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.688 -4.553 -9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.278 -3.303 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.988 -1.592 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.623 -2.647 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.952 -2.253 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.033 -3.732 -8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.804 -3.558 -10.380 1.00 0.00 H new ATOM 447 N TYR A 64 -7.682 -5.332 -5.888 1.00 0.00 N ATOM 448 CA TYR A 64 -7.411 -6.369 -4.934 1.00 0.00 C ATOM 449 C TYR A 64 -8.677 -6.648 -4.129 1.00 0.00 C ATOM 450 O TYR A 64 -9.763 -6.130 -4.382 1.00 0.00 O ATOM 451 CB TYR A 64 -6.220 -5.887 -4.083 1.00 0.00 C ATOM 452 CG TYR A 64 -4.954 -5.630 -4.886 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.560 -6.520 -5.905 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.193 -4.470 -4.651 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.471 -6.206 -6.731 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.072 -4.184 -5.452 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.714 -5.053 -6.498 1.00 0.00 C ATOM 458 OH TYR A 64 -1.691 -4.772 -7.352 1.00 0.00 O ATOM 0 H TYR A 64 -7.326 -4.423 -5.593 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.138 -7.318 -5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.503 -4.970 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.008 -6.633 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.098 -7.445 -6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.470 -3.797 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.215 -6.859 -7.552 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.486 -3.297 -5.263 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.887 -4.550 -6.838 1.00 0.00 H new ATOM 459 N SER A 65 -8.490 -7.512 -3.150 1.00 0.00 N ATOM 460 CA SER A 65 -9.459 -8.032 -2.210 1.00 0.00 C ATOM 461 C SER A 65 -8.680 -8.431 -0.974 1.00 0.00 C ATOM 462 O SER A 65 -7.456 -8.495 -1.025 1.00 0.00 O ATOM 463 CB SER A 65 -10.181 -9.224 -2.825 1.00 0.00 C ATOM 464 OG SER A 65 -11.004 -9.870 -1.870 1.00 0.00 O ATOM 0 H SER A 65 -7.564 -7.904 -2.978 1.00 0.00 H new ATOM 0 HA SER A 65 -10.221 -7.295 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.788 -8.891 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.451 -9.932 -3.219 1.00 0.00 H new ATOM 0 HG SER A 65 -11.458 -10.630 -2.290 1.00 0.00 H new ATOM 465 N ASP A 66 -9.401 -8.736 0.098 1.00 0.00 N ATOM 466 CA ASP A 66 -8.867 -9.078 1.408 1.00 0.00 C ATOM 467 C ASP A 66 -7.574 -9.894 1.366 1.00 0.00 C ATOM 468 O ASP A 66 -6.588 -9.515 1.991 1.00 0.00 O ATOM 469 CB ASP A 66 -9.932 -9.837 2.202 1.00 0.00 C ATOM 470 CG ASP A 66 -9.418 -10.113 3.606 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.351 -9.126 4.368 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.072 -11.281 3.880 1.00 0.00 O ATOM 0 H ASP A 66 -10.421 -8.752 0.075 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.609 -8.136 1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.851 -9.253 2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.175 -10.774 1.701 1.00 0.00 H new ATOM 473 N GLU A 67 -7.574 -10.998 0.620 1.00 0.00 N ATOM 474 CA GLU A 67 -6.409 -11.874 0.532 1.00 0.00 C ATOM 475 C GLU A 67 -5.215 -11.121 -0.063 1.00 0.00 C ATOM 476 O GLU A 67 -4.133 -11.084 0.518 1.00 0.00 O ATOM 477 CB GLU A 67 -6.786 -13.122 -0.283 1.00 0.00 C ATOM 478 CG GLU A 67 -5.648 -14.154 -0.384 1.00 0.00 C ATOM 479 CD GLU A 67 -4.656 -13.862 -1.510 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.126 -13.640 -2.646 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.434 -13.900 -1.245 1.00 0.00 O ATOM 0 H GLU A 67 -8.373 -11.307 0.066 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.103 -12.198 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.656 -13.595 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.079 -12.816 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.111 -14.184 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.079 -15.144 -0.538 1.00 0.00 H new ATOM 482 N GLU A 68 -5.420 -10.518 -1.233 1.00 0.00 N ATOM 483 CA GLU A 68 -4.396 -9.762 -1.933 1.00 0.00 C ATOM 484 C GLU A 68 -3.907 -8.607 -1.046 1.00 0.00 C ATOM 485 O GLU A 68 -2.708 -8.367 -0.949 1.00 0.00 O ATOM 486 CB GLU A 68 -4.985 -9.242 -3.250 1.00 0.00 C ATOM 487 CG GLU A 68 -5.453 -10.328 -4.232 1.00 0.00 C ATOM 488 CD GLU A 68 -4.316 -10.854 -5.099 1.00 0.00 C ATOM 489 OE1 GLU A 68 -3.989 -10.162 -6.086 1.00 0.00 O ATOM 490 OE2 GLU A 68 -3.785 -11.934 -4.757 1.00 0.00 O ATOM 0 H GLU A 68 -6.314 -10.544 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.538 -10.397 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.831 -8.594 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.236 -8.625 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.893 -11.154 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.237 -9.923 -4.872 1.00 0.00 H new ATOM 491 N LEU A 69 -4.825 -7.893 -0.388 1.00 0.00 N ATOM 492 CA LEU A 69 -4.506 -6.781 0.495 1.00 0.00 C ATOM 493 C LEU A 69 -3.637 -7.263 1.660 1.00 0.00 C ATOM 494 O LEU A 69 -2.626 -6.646 1.998 1.00 0.00 O ATOM 495 CB LEU A 69 -5.806 -6.163 1.026 1.00 0.00 C ATOM 496 CG LEU A 69 -6.673 -5.439 -0.011 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.851 -4.784 0.717 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.872 -4.374 -0.758 1.00 0.00 C ATOM 0 H LEU A 69 -5.825 -8.079 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.950 -6.027 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.402 -6.953 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.554 -5.457 1.817 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.028 -6.162 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.480 -4.263 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.437 -5.551 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.474 -4.071 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.515 -3.879 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.494 -3.638 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.035 -4.844 -1.274 1.00 0.00 H new ATOM 499 N LYS A 70 -4.037 -8.368 2.288 1.00 0.00 N ATOM 500 CA LYS A 70 -3.300 -8.949 3.395 1.00 0.00 C ATOM 501 C LYS A 70 -1.911 -9.372 2.909 1.00 0.00 C ATOM 502 O LYS A 70 -0.918 -9.146 3.600 1.00 0.00 O ATOM 503 CB LYS A 70 -4.114 -10.122 3.957 1.00 0.00 C ATOM 504 CG LYS A 70 -3.607 -10.591 5.325 1.00 0.00 C ATOM 505 CD LYS A 70 -4.395 -11.809 5.834 1.00 0.00 C ATOM 506 CE LYS A 70 -5.918 -11.602 5.885 1.00 0.00 C ATOM 507 NZ LYS A 70 -6.294 -10.402 6.653 1.00 0.00 N ATOM 0 H LYS A 70 -4.882 -8.881 2.039 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.152 -8.228 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.159 -9.825 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.076 -10.955 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.549 -10.845 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.692 -9.776 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.178 -12.662 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.041 -12.064 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.305 -11.517 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.387 -12.479 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.233 -10.542 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.594 -10.238 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.320 -9.578 6.019 1.00 0.00 H new ATOM 508 N ALA A 71 -1.829 -9.954 1.706 1.00 0.00 N ATOM 509 CA ALA A 71 -0.566 -10.390 1.143 1.00 0.00 C ATOM 510 C ALA A 71 0.317 -9.169 0.915 1.00 0.00 C ATOM 511 O ALA A 71 1.492 -9.183 1.279 1.00 0.00 O ATOM 512 CB ALA A 71 -0.807 -11.162 -0.153 1.00 0.00 C ATOM 0 H ALA A 71 -2.636 -10.130 1.107 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.058 -11.064 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.148 -11.485 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.427 -12.035 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.315 -10.518 -0.871 1.00 0.00 H new ATOM 513 N LEU A 72 -0.244 -8.107 0.325 1.00 0.00 N ATOM 514 CA LEU A 72 0.488 -6.878 0.102 1.00 0.00 C ATOM 515 C LEU A 72 1.064 -6.396 1.420 1.00 0.00 C ATOM 516 O LEU A 72 2.276 -6.261 1.540 1.00 0.00 O ATOM 517 CB LEU A 72 -0.474 -5.813 -0.414 1.00 0.00 C ATOM 518 CG LEU A 72 -0.601 -5.841 -1.924 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.620 -4.784 -2.291 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.719 -5.427 -2.552 1.00 0.00 C ATOM 0 H LEU A 72 -1.209 -8.085 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 72 1.286 -7.054 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.456 -5.964 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.128 -4.829 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.882 -6.837 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.749 -4.763 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.573 -5.017 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.273 -3.809 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.627 -5.447 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.975 -4.418 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.502 -6.118 -2.241 1.00 0.00 H new ATOM 521 N ALA A 73 0.197 -6.156 2.409 1.00 0.00 N ATOM 522 CA ALA A 73 0.639 -5.648 3.694 1.00 0.00 C ATOM 523 C ALA A 73 1.711 -6.557 4.283 1.00 0.00 C ATOM 524 O ALA A 73 2.648 -6.051 4.887 1.00 0.00 O ATOM 525 CB ALA A 73 -0.533 -5.561 4.676 1.00 0.00 C ATOM 0 H ALA A 73 -0.809 -6.307 2.337 1.00 0.00 H new ATOM 0 HA ALA A 73 1.050 -4.651 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.178 -5.178 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.294 -4.891 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.962 -6.553 4.819 1.00 0.00 H new ATOM 526 N ASP A 74 1.575 -7.882 4.156 1.00 0.00 N ATOM 527 CA ASP A 74 2.597 -8.794 4.652 1.00 0.00 C ATOM 528 C ASP A 74 3.925 -8.460 3.963 1.00 0.00 C ATOM 529 O ASP A 74 4.932 -8.260 4.639 1.00 0.00 O ATOM 530 CB ASP A 74 2.190 -10.250 4.404 1.00 0.00 C ATOM 531 CG ASP A 74 3.296 -11.200 4.846 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.319 -11.520 6.053 1.00 0.00 O ATOM 533 OD2 ASP A 74 4.099 -11.582 3.968 1.00 0.00 O ATOM 0 H ASP A 74 0.774 -8.337 3.718 1.00 0.00 H new ATOM 0 HA ASP A 74 2.711 -8.674 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.272 -10.474 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.978 -10.398 3.345 1.00 0.00 H new ATOM 534 N TYR A 75 3.916 -8.354 2.628 1.00 0.00 N ATOM 535 CA TYR A 75 5.110 -8.013 1.865 1.00 0.00 C ATOM 536 C TYR A 75 5.655 -6.663 2.348 1.00 0.00 C ATOM 537 O TYR A 75 6.792 -6.581 2.808 1.00 0.00 O ATOM 538 CB TYR A 75 4.818 -8.006 0.360 1.00 0.00 C ATOM 539 CG TYR A 75 6.067 -7.761 -0.462 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.028 -8.783 -0.556 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.348 -6.488 -0.995 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.250 -8.546 -1.205 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.575 -6.251 -1.644 1.00 0.00 C ATOM 544 CZ TYR A 75 8.523 -7.284 -1.752 1.00 0.00 C ATOM 545 OH TYR A 75 9.709 -7.091 -2.393 1.00 0.00 O ATOM 0 H TYR A 75 3.085 -8.502 2.056 1.00 0.00 H new ATOM 0 HA TYR A 75 5.874 -8.772 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.377 -8.960 0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.081 -7.234 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.825 -9.753 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.622 -5.693 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.981 -9.337 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.788 -5.277 -2.058 1.00 0.00 H new ATOM 0 HH TYR A 75 9.814 -6.141 -2.608 1.00 0.00 H new ATOM 546 N MET A 76 4.859 -5.594 2.256 1.00 0.00 N ATOM 547 CA MET A 76 5.260 -4.271 2.718 1.00 0.00 C ATOM 548 C MET A 76 5.780 -4.278 4.167 1.00 0.00 C ATOM 549 O MET A 76 6.748 -3.598 4.484 1.00 0.00 O ATOM 550 CB MET A 76 4.075 -3.329 2.543 1.00 0.00 C ATOM 551 CG MET A 76 3.881 -3.036 1.053 1.00 0.00 C ATOM 552 SD MET A 76 2.268 -3.459 0.374 1.00 0.00 S ATOM 553 CE MET A 76 1.300 -2.083 0.987 1.00 0.00 C ATOM 0 H MET A 76 3.920 -5.626 1.859 1.00 0.00 H new ATOM 0 HA MET A 76 6.102 -3.925 2.118 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.173 -3.779 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.249 -2.402 3.089 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.057 -1.974 0.885 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.643 -3.578 0.493 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.428 -1.939 0.349 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.973 -2.293 2.006 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.908 -1.179 0.980 1.00 0.00 H new ATOM 554 N SER A 77 5.179 -5.064 5.056 1.00 0.00 N ATOM 555 CA SER A 77 5.607 -5.145 6.450 1.00 0.00 C ATOM 556 C SER A 77 6.910 -5.926 6.623 1.00 0.00 C ATOM 557 O SER A 77 7.418 -5.977 7.742 1.00 0.00 O ATOM 558 CB SER A 77 4.518 -5.804 7.289 1.00 0.00 C ATOM 559 OG SER A 77 4.785 -5.637 8.673 1.00 0.00 O ATOM 0 H SER A 77 4.383 -5.662 4.831 1.00 0.00 H new ATOM 0 HA SER A 77 5.786 -4.123 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.549 -5.368 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.459 -6.866 7.050 1.00 0.00 H new ATOM 0 HG SER A 77 5.754 -5.632 8.821 1.00 0.00 H new ATOM 560 N LYS A 78 7.396 -6.593 5.572 1.00 0.00 N ATOM 561 CA LYS A 78 8.651 -7.336 5.597 1.00 0.00 C ATOM 562 C LYS A 78 9.772 -6.417 5.077 1.00 0.00 C ATOM 563 O LYS A 78 10.936 -6.813 5.079 1.00 0.00 O ATOM 564 CB LYS A 78 8.482 -8.640 4.788 1.00 0.00 C ATOM 565 CG LYS A 78 9.751 -9.496 4.681 1.00 0.00 C ATOM 566 CD LYS A 78 9.461 -10.872 4.061 1.00 0.00 C ATOM 567 CE LYS A 78 8.776 -10.793 2.689 1.00 0.00 C ATOM 568 NZ LYS A 78 9.499 -9.909 1.756 1.00 0.00 N ATOM 0 H LYS A 78 6.920 -6.630 4.671 1.00 0.00 H new ATOM 0 HA LYS A 78 8.929 -7.637 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.695 -9.237 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.145 -8.387 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.492 -8.974 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.185 -9.628 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.397 -11.421 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.829 -11.443 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.708 -11.793 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.756 -10.430 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.992 -9.873 0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.557 -8.952 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.459 -10.278 1.601 1.00 0.00 H new ATOM 569 N LEU A 79 9.427 -5.210 4.610 1.00 0.00 N ATOM 570 CA LEU A 79 10.386 -4.233 4.129 1.00 0.00 C ATOM 571 C LEU A 79 11.229 -3.721 5.301 1.00 0.00 C ATOM 572 O LEU A 79 12.424 -3.441 5.064 1.00 0.00 O ATOM 573 CB LEU A 79 9.629 -3.054 3.504 1.00 0.00 C ATOM 574 CG LEU A 79 8.745 -3.384 2.292 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.005 -2.152 1.746 1.00 0.00 C ATOM 576 CD2 LEU A 79 9.598 -3.843 1.141 1.00 0.00 C ATOM 577 OXT LEU A 79 10.644 -3.548 6.393 1.00 0.00 O ATOM 0 H LEU A 79 8.460 -4.890 4.559 1.00 0.00 H new ATOM 0 HA LEU A 79 11.037 -4.696 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.002 -2.603 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.357 -2.300 3.203 1.00 0.00 H new ATOM 0 HG LEU A 79 8.043 -4.140 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.396 -2.443 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.364 -1.738 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.730 -1.400 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.962 -4.075 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.298 -3.053 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.153 -4.735 1.432 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.437 3.992 -2.059 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.277 5.223 1.080 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.165 0.857 -0.835 1.00 7.91 C HETATM 582 CHC HEM A 80 0.073 2.842 -5.263 1.00 6.02 C HETATM 583 CHD HEM A 80 1.160 7.133 -3.237 1.00 10.53 C HETATM 584 NA HEM A 80 0.258 3.186 -0.245 1.00 6.22 N HETATM 585 C1A HEM A 80 0.252 3.858 0.951 1.00 6.23 C HETATM 586 C2A HEM A 80 0.242 2.952 2.058 1.00 8.27 C HETATM 587 C3A HEM A 80 0.015 1.726 1.534 1.00 7.07 C HETATM 588 C4A HEM A 80 0.033 1.871 0.091 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.159 0.447 2.286 1.00 7.00 C HETATM 590 CAA HEM A 80 0.486 3.335 3.498 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.758 3.436 4.385 1.00 11.15 C HETATM 592 CGA HEM A 80 -1.243 4.873 4.566 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.705 5.466 3.598 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.186 5.377 5.684 1.00 17.21 O HETATM 595 NB HEM A 80 -0.013 2.229 -2.881 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.264 1.046 -2.213 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.627 0.020 -3.152 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.405 0.522 -4.398 1.00 -0.05 C HETATM 599 C4B HEM A 80 -0.113 1.930 -4.228 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.046 -1.365 -2.755 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.354 -0.231 -5.712 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.638 -0.913 -6.195 1.00 6.48 C HETATM 603 NC HEM A 80 0.607 4.809 -3.875 1.00 3.58 N HETATM 604 C1C HEM A 80 0.418 4.183 -5.095 1.00 4.45 C HETATM 605 C2C HEM A 80 0.707 5.102 -6.172 1.00 5.77 C HETATM 606 C3C HEM A 80 1.147 6.256 -5.599 1.00 8.44 C HETATM 607 C4C HEM A 80 0.973 6.110 -4.170 1.00 11.13 C HETATM 608 CMC HEM A 80 0.610 4.756 -7.636 1.00 8.62 C HETATM 609 CAC HEM A 80 1.748 7.464 -6.278 1.00 3.39 C HETATM 610 CBC HEM A 80 0.862 8.718 -6.260 1.00 10.94 C HETATM 611 ND HEM A 80 0.627 5.827 -1.253 1.00 4.28 N HETATM 612 C1D HEM A 80 0.920 7.026 -1.865 1.00 5.02 C HETATM 613 C2D HEM A 80 1.016 8.088 -0.850 1.00 3.97 C HETATM 614 C3D HEM A 80 0.855 7.482 0.361 1.00 5.11 C HETATM 615 C4D HEM A 80 0.545 6.120 0.082 1.00 9.05 C HETATM 616 CMD HEM A 80 1.299 9.543 -1.111 1.00 5.28 C HETATM 617 CAD HEM A 80 0.971 7.991 1.793 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.353 8.453 2.405 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.775 9.811 1.885 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.357 9.871 0.804 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.562 10.791 2.594 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.772 -0.239 1.701 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.649 0.649 3.239 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.817 -0.004 2.468 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.741 -1.761 -3.495 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.533 -1.332 -1.781 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.168 -2.009 -2.700 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.350 5.649 -8.205 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 -0.159 3.998 -7.780 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.569 4.371 -7.983 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.922 9.639 -2.001 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.821 9.971 -0.255 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.360 10.074 -1.266 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.642 -1.464 -7.135 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.548 -0.847 -5.598 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.212 9.639 -6.726 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.117 8.687 -5.781 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.537 3.006 5.362 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.559 2.840 3.948 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.000 4.296 3.516 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.163 2.603 3.938 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.256 8.494 3.490 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.130 7.722 2.182 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.678 8.821 1.815 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.389 7.199 2.415 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.066 5.627 2.059 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.249 -0.153 -0.461 1.00 7.91 H new HETATM 0 HHC HEM A 80 -0.060 2.484 -6.273 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.519 8.082 -3.606 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.566 -0.286 -6.294 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.733 7.447 -6.744 1.00 3.39 H new