USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 LYS NZ :NH3+ -142:sc= 1.36 (180deg=-1.01!) USER MOD Set 1.2: A 58 THR OG1 : rot 84:sc= 1.24 USER MOD Set 2.1: A 41 MET CE :methyl -167:sc= -0.372 (180deg=-0.755) USER MOD Set 2.2: A 76 MET CE :methyl -142:sc= -0.715 (180deg=-2.61!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -144:sc= 1.3 (180deg=0.01) USER MOD Set 3.2: A 49 TYR OH : rot 180:sc= 0.615 USER MOD Set 4.1: A 19 SER OG : rot -145:sc= 0.897 USER MOD Set 4.2: A 20 LYS NZ :NH3+ 172:sc= 0.662 (180deg=0.615) USER MOD Set 5.1: A 13 CYS SG : rot 180:sc= -0.0184 USER MOD Set 5.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 7 TYR OH : rot 180:sc= -0.0783 USER MOD Set 6.2: A 14 HIS : no HD1:sc= -1.9! X(o=-2!,f=-1.7) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 163:sc= -1.03 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc=-0.00611 (180deg=-0.0972) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0.827 (180deg=0.00378) USER MOD Single : A 32 GLN : amide:sc= 0.345 K(o=0.35,f=-2.4!) USER MOD Single : A 38 TYR OH : rot -18:sc= 1.28 USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= 0.553 (180deg=-0.0219) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0385) USER MOD Single : A 44 TYR OH : rot 96:sc= 0.47 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 175:sc= -1.31 (180deg=-1.46) USER MOD Single : A 59 ASN : amide:sc= -0.208! X(o=-0.21!,f=-0.057) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 1.4 (180deg=1.2) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.461 (180deg=0.458) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -77:sc= 1.15 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 71:sc= 1.14 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 0.365 (180deg=0.356) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.705 -13.364 -4.361 1.00 0.00 N ATOM 7 CA ASP A 2 2.043 -12.952 -3.950 1.00 0.00 C ATOM 8 C ASP A 2 2.149 -11.434 -3.764 1.00 0.00 C ATOM 9 O ASP A 2 2.098 -10.679 -4.737 1.00 0.00 O ATOM 10 CB ASP A 2 3.058 -13.426 -5.001 1.00 0.00 C ATOM 11 CG ASP A 2 2.995 -14.934 -5.217 1.00 0.00 C ATOM 12 OD1 ASP A 2 1.944 -15.376 -5.736 1.00 0.00 O ATOM 13 OD2 ASP A 2 3.977 -15.609 -4.845 1.00 0.00 O ATOM 0 HA ASP A 2 2.257 -13.409 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.867 -12.916 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.063 -13.147 -4.686 1.00 0.00 H new ATOM 14 N GLY A 3 2.336 -10.990 -2.517 1.00 0.00 N ATOM 15 CA GLY A 3 2.464 -9.582 -2.180 1.00 0.00 C ATOM 16 C GLY A 3 3.525 -8.915 -3.049 1.00 0.00 C ATOM 17 O GLY A 3 3.267 -7.894 -3.674 1.00 0.00 O ATOM 0 H GLY A 3 2.402 -11.610 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.506 -9.081 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.730 -9.477 -1.128 1.00 0.00 H new ATOM 18 N ALA A 4 4.710 -9.517 -3.148 1.00 0.00 N ATOM 19 CA ALA A 4 5.785 -8.965 -3.962 1.00 0.00 C ATOM 20 C ALA A 4 5.377 -8.761 -5.426 1.00 0.00 C ATOM 21 O ALA A 4 5.940 -7.896 -6.092 1.00 0.00 O ATOM 22 CB ALA A 4 7.000 -9.894 -3.887 1.00 0.00 C ATOM 0 H ALA A 4 4.947 -10.388 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 4 6.028 -7.981 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.808 -9.486 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.331 -9.977 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.727 -10.881 -4.261 1.00 0.00 H new ATOM 23 N ALA A 5 4.422 -9.544 -5.941 1.00 0.00 N ATOM 24 CA ALA A 5 3.983 -9.401 -7.318 1.00 0.00 C ATOM 25 C ALA A 5 2.960 -8.277 -7.374 1.00 0.00 C ATOM 26 O ALA A 5 3.072 -7.374 -8.199 1.00 0.00 O ATOM 27 CB ALA A 5 3.392 -10.717 -7.832 1.00 0.00 C ATOM 0 H ALA A 5 3.944 -10.279 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 5 4.828 -9.157 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.068 -10.591 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.149 -11.500 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.538 -10.998 -7.216 1.00 0.00 H new ATOM 28 N LEU A 6 1.972 -8.306 -6.475 1.00 0.00 N ATOM 29 CA LEU A 6 0.946 -7.293 -6.431 1.00 0.00 C ATOM 30 C LEU A 6 1.583 -5.910 -6.267 1.00 0.00 C ATOM 31 O LEU A 6 1.182 -4.967 -6.946 1.00 0.00 O ATOM 32 CB LEU A 6 0.010 -7.627 -5.269 1.00 0.00 C ATOM 33 CG LEU A 6 -0.858 -8.877 -5.487 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.493 -9.263 -4.148 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.972 -8.625 -6.511 1.00 0.00 C ATOM 0 H LEU A 6 1.872 -9.033 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 6 0.375 -7.273 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.607 -7.767 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.644 -6.773 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.223 -9.676 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.114 -10.149 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.709 -9.476 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.109 -8.440 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.563 -9.532 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.615 -7.819 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.531 -8.344 -7.467 1.00 0.00 H new ATOM 36 N TYR A 7 2.605 -5.785 -5.409 1.00 0.00 N ATOM 37 CA TYR A 7 3.227 -4.492 -5.175 1.00 0.00 C ATOM 38 C TYR A 7 4.006 -3.926 -6.374 1.00 0.00 C ATOM 39 O TYR A 7 4.408 -2.762 -6.327 1.00 0.00 O ATOM 40 CB TYR A 7 4.104 -4.573 -3.916 1.00 0.00 C ATOM 41 CG TYR A 7 4.201 -3.268 -3.146 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.030 -2.583 -2.768 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.445 -2.793 -2.699 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.110 -1.355 -2.101 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.512 -1.617 -1.934 1.00 0.00 C ATOM 46 CZ TYR A 7 4.363 -0.837 -1.740 1.00 0.00 C ATOM 47 OH TYR A 7 4.452 0.349 -1.077 1.00 0.00 O ATOM 0 H TYR A 7 3.008 -6.556 -4.877 1.00 0.00 H new ATOM 0 HA TYR A 7 2.418 -3.777 -5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.705 -5.343 -3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.107 -4.889 -4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.063 -3.008 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.349 -3.331 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.209 -0.808 -1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.450 -1.313 -1.494 1.00 0.00 H new ATOM 0 HH TYR A 7 5.394 0.558 -0.905 1.00 0.00 H new ATOM 48 N LYS A 8 4.217 -4.695 -7.452 1.00 0.00 N ATOM 49 CA LYS A 8 4.956 -4.208 -8.619 1.00 0.00 C ATOM 50 C LYS A 8 4.432 -2.848 -9.104 1.00 0.00 C ATOM 51 O LYS A 8 5.208 -1.918 -9.309 1.00 0.00 O ATOM 52 CB LYS A 8 4.888 -5.235 -9.756 1.00 0.00 C ATOM 53 CG LYS A 8 5.788 -6.442 -9.456 1.00 0.00 C ATOM 54 CD LYS A 8 5.560 -7.594 -10.443 1.00 0.00 C ATOM 55 CE LYS A 8 5.921 -7.210 -11.883 1.00 0.00 C ATOM 56 NZ LYS A 8 5.810 -8.367 -12.788 1.00 0.00 N ATOM 0 H LYS A 8 3.885 -5.656 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 8 5.994 -4.072 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.859 -5.568 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.197 -4.769 -10.692 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.833 -6.133 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.598 -6.792 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.157 -8.453 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.515 -7.902 -10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.261 -6.413 -12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.938 -6.818 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.060 -8.077 -13.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.458 -9.117 -12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.834 -8.725 -12.776 1.00 0.00 H new ATOM 57 N SER A 9 3.112 -2.694 -9.225 1.00 0.00 N ATOM 58 CA SER A 9 2.472 -1.473 -9.710 1.00 0.00 C ATOM 59 C SER A 9 2.402 -0.357 -8.657 1.00 0.00 C ATOM 60 O SER A 9 1.548 0.520 -8.764 1.00 0.00 O ATOM 61 CB SER A 9 1.057 -1.843 -10.169 1.00 0.00 C ATOM 62 OG SER A 9 1.099 -3.009 -10.972 1.00 0.00 O ATOM 0 H SER A 9 2.447 -3.429 -8.984 1.00 0.00 H new ATOM 0 HA SER A 9 3.075 -1.075 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.417 -2.011 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.621 -1.018 -10.733 1.00 0.00 H new ATOM 0 HG SER A 9 0.191 -3.241 -11.260 1.00 0.00 H new ATOM 63 N CYS A 10 3.288 -0.374 -7.660 1.00 0.00 N ATOM 64 CA CYS A 10 3.339 0.571 -6.548 1.00 0.00 C ATOM 65 C CYS A 10 4.749 1.134 -6.429 1.00 0.00 C ATOM 66 O CYS A 10 4.953 2.302 -6.080 1.00 0.00 O ATOM 67 CB CYS A 10 2.945 -0.169 -5.267 1.00 0.00 C ATOM 68 SG CYS A 10 1.570 -1.342 -5.434 1.00 0.00 S ATOM 0 H CYS A 10 4.022 -1.080 -7.605 1.00 0.00 H new ATOM 0 HA CYS A 10 2.650 1.399 -6.715 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.817 -0.708 -4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.681 0.568 -4.509 1.00 0.00 H new ATOM 0 HG CYS A 10 1.563 -2.150 -4.416 1.00 0.00 H new ATOM 69 N ILE A 11 5.722 0.276 -6.750 1.00 0.00 N ATOM 70 CA ILE A 11 7.143 0.561 -6.770 1.00 0.00 C ATOM 71 C ILE A 11 7.407 1.905 -7.454 1.00 0.00 C ATOM 72 O ILE A 11 8.263 2.658 -7.002 1.00 0.00 O ATOM 73 CB ILE A 11 7.843 -0.600 -7.502 1.00 0.00 C ATOM 74 CG1 ILE A 11 7.648 -1.952 -6.788 1.00 0.00 C ATOM 75 CG2 ILE A 11 9.337 -0.328 -7.645 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.678 -1.899 -5.257 1.00 0.00 C ATOM 0 H ILE A 11 5.518 -0.687 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 11 7.537 0.642 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 11 7.379 -0.664 -8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.693 -2.374 -7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.425 -2.637 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.810 -1.161 -8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.487 0.588 -8.216 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.783 -0.217 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.532 -2.902 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.642 -1.512 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.882 -1.245 -4.900 1.00 0.00 H new ATOM 77 N GLY A 12 6.663 2.213 -8.521 1.00 0.00 N ATOM 78 CA GLY A 12 6.785 3.463 -9.256 1.00 0.00 C ATOM 79 C GLY A 12 6.809 4.697 -8.346 1.00 0.00 C ATOM 80 O GLY A 12 7.536 5.644 -8.633 1.00 0.00 O ATOM 0 H GLY A 12 5.951 1.588 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.698 3.440 -9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.952 3.550 -9.954 1.00 0.00 H new ATOM 81 N CYS A 13 6.017 4.696 -7.265 1.00 0.00 N ATOM 82 CA CYS A 13 5.956 5.813 -6.323 1.00 0.00 C ATOM 83 C CYS A 13 6.689 5.489 -5.020 1.00 0.00 C ATOM 84 O CYS A 13 7.398 6.341 -4.493 1.00 0.00 O ATOM 85 CB CYS A 13 4.504 6.166 -5.977 1.00 0.00 C ATOM 86 SG CYS A 13 3.544 7.078 -7.214 1.00 0.00 S ATOM 0 H CYS A 13 5.402 3.919 -7.022 1.00 0.00 H new ATOM 0 HA CYS A 13 6.439 6.658 -6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.976 5.238 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.511 6.752 -5.058 1.00 0.00 H new ATOM 0 HG CYS A 13 2.344 7.290 -6.762 1.00 0.00 H new ATOM 87 N HIS A 14 6.499 4.280 -4.483 1.00 0.00 N ATOM 88 CA HIS A 14 7.068 3.882 -3.194 1.00 0.00 C ATOM 89 C HIS A 14 8.536 3.449 -3.240 1.00 0.00 C ATOM 90 O HIS A 14 9.267 3.622 -2.262 1.00 0.00 O ATOM 91 CB HIS A 14 6.191 2.761 -2.628 1.00 0.00 C ATOM 92 CG HIS A 14 4.835 3.278 -2.233 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.680 4.132 -1.158 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.575 3.133 -2.765 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.395 4.505 -1.128 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.645 3.852 -2.019 1.00 0.00 N ATOM 0 H HIS A 14 5.946 3.550 -4.931 1.00 0.00 H new ATOM 0 HA HIS A 14 7.071 4.763 -2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.080 1.972 -3.372 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.680 2.316 -1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.340 2.544 -3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.006 5.255 -0.455 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.631 3.875 -2.127 1.00 0.00 H new ATOM 97 N GLY A 15 8.985 2.899 -4.365 1.00 0.00 N ATOM 98 CA GLY A 15 10.341 2.403 -4.507 1.00 0.00 C ATOM 99 C GLY A 15 10.403 0.940 -4.073 1.00 0.00 C ATOM 100 O GLY A 15 9.635 0.501 -3.216 1.00 0.00 O ATOM 0 H GLY A 15 8.414 2.787 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.667 2.499 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.022 3.001 -3.902 1.00 0.00 H new ATOM 101 N ALA A 16 11.342 0.184 -4.648 1.00 0.00 N ATOM 102 CA ALA A 16 11.539 -1.239 -4.377 1.00 0.00 C ATOM 103 C ALA A 16 11.714 -1.548 -2.887 1.00 0.00 C ATOM 104 O ALA A 16 11.424 -2.661 -2.454 1.00 0.00 O ATOM 105 CB ALA A 16 12.770 -1.716 -5.152 1.00 0.00 C ATOM 0 H ALA A 16 12.002 0.556 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 16 10.641 -1.766 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.932 -2.777 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.611 -1.559 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.645 -1.152 -4.829 1.00 0.00 H new ATOM 106 N ASP A 17 12.197 -0.561 -2.129 1.00 0.00 N ATOM 107 CA ASP A 17 12.516 -0.553 -0.733 1.00 0.00 C ATOM 108 C ASP A 17 11.630 0.412 0.061 1.00 0.00 C ATOM 109 O ASP A 17 12.004 0.804 1.160 1.00 0.00 O ATOM 110 CB ASP A 17 13.993 -0.157 -0.603 1.00 0.00 C ATOM 111 CG ASP A 17 14.268 1.271 -1.075 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.609 1.705 -2.050 1.00 0.00 O ATOM 113 OD2 ASP A 17 15.134 1.926 -0.455 1.00 0.00 O ATOM 0 H ASP A 17 12.390 0.350 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 17 12.335 -1.544 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.301 -0.256 0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.603 -0.850 -1.183 1.00 0.00 H new ATOM 114 N GLY A 18 10.500 0.860 -0.500 1.00 0.00 N ATOM 115 CA GLY A 18 9.541 1.733 0.173 1.00 0.00 C ATOM 116 C GLY A 18 10.100 2.999 0.810 1.00 0.00 C ATOM 117 O GLY A 18 9.481 3.517 1.744 1.00 0.00 O ATOM 0 H GLY A 18 10.225 0.619 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.779 2.024 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.040 1.154 0.949 1.00 0.00 H new ATOM 118 N SER A 19 11.243 3.492 0.332 1.00 0.00 N ATOM 119 CA SER A 19 11.884 4.675 0.881 1.00 0.00 C ATOM 120 C SER A 19 11.476 5.940 0.131 1.00 0.00 C ATOM 121 O SER A 19 11.644 7.038 0.659 1.00 0.00 O ATOM 122 CB SER A 19 13.399 4.479 0.814 1.00 0.00 C ATOM 123 OG SER A 19 13.787 4.248 -0.524 1.00 0.00 O ATOM 0 H SER A 19 11.748 3.076 -0.450 1.00 0.00 H new ATOM 0 HA SER A 19 11.564 4.803 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.908 5.361 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.695 3.637 1.440 1.00 0.00 H new ATOM 0 HG SER A 19 14.534 3.614 -0.543 1.00 0.00 H new ATOM 124 N LYS A 20 10.956 5.815 -1.095 1.00 0.00 N ATOM 125 CA LYS A 20 10.575 6.982 -1.867 1.00 0.00 C ATOM 126 C LYS A 20 9.269 7.493 -1.269 1.00 0.00 C ATOM 127 O LYS A 20 8.262 6.783 -1.259 1.00 0.00 O ATOM 128 CB LYS A 20 10.459 6.637 -3.360 1.00 0.00 C ATOM 129 CG LYS A 20 11.809 6.419 -4.070 1.00 0.00 C ATOM 130 CD LYS A 20 12.753 5.454 -3.336 1.00 0.00 C ATOM 131 CE LYS A 20 13.906 4.970 -4.217 1.00 0.00 C ATOM 132 NZ LYS A 20 14.765 4.032 -3.470 1.00 0.00 N ATOM 0 H LYS A 20 10.794 4.923 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 20 11.331 7.766 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.857 5.735 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.922 7.440 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.622 6.036 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.307 7.382 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.159 5.950 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.184 4.593 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.511 4.481 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.496 5.822 -4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.461 3.609 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.262 4.544 -2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.179 3.281 -3.053 1.00 0.00 H new ATOM 133 N ALA A 21 9.300 8.711 -0.720 1.00 0.00 N ATOM 134 CA ALA A 21 8.138 9.324 -0.103 1.00 0.00 C ATOM 135 C ALA A 21 7.136 9.689 -1.194 1.00 0.00 C ATOM 136 O ALA A 21 7.073 10.834 -1.636 1.00 0.00 O ATOM 137 CB ALA A 21 8.571 10.539 0.725 1.00 0.00 C ATOM 0 H ALA A 21 10.137 9.294 -0.695 1.00 0.00 H new ATOM 0 HA ALA A 21 7.652 8.629 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.695 10.996 1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.266 10.221 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.060 11.266 0.076 1.00 0.00 H new ATOM 138 N ALA A 22 6.372 8.682 -1.625 1.00 0.00 N ATOM 139 CA ALA A 22 5.394 8.741 -2.693 1.00 0.00 C ATOM 140 C ALA A 22 4.674 10.078 -2.810 1.00 0.00 C ATOM 141 O ALA A 22 4.060 10.505 -1.838 1.00 0.00 O ATOM 142 CB ALA A 22 4.409 7.583 -2.547 1.00 0.00 C ATOM 0 H ALA A 22 6.430 7.753 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 22 5.943 8.643 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.674 7.627 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.949 6.637 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.901 7.656 -1.585 1.00 0.00 H new ATOM 143 N MET A 23 4.757 10.672 -4.015 1.00 0.00 N ATOM 144 CA MET A 23 4.219 11.944 -4.504 1.00 0.00 C ATOM 145 C MET A 23 3.718 12.864 -3.395 1.00 0.00 C ATOM 146 O MET A 23 4.358 13.874 -3.109 1.00 0.00 O ATOM 147 CB MET A 23 3.141 11.684 -5.565 1.00 0.00 C ATOM 148 CG MET A 23 3.683 10.883 -6.757 1.00 0.00 C ATOM 149 SD MET A 23 5.161 11.540 -7.572 1.00 0.00 S ATOM 150 CE MET A 23 5.448 10.229 -8.781 1.00 0.00 C ATOM 0 H MET A 23 5.272 10.205 -4.761 1.00 0.00 H new ATOM 0 HA MET A 23 5.046 12.485 -4.964 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.311 11.142 -5.112 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.745 12.636 -5.919 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.904 9.872 -6.416 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.891 10.802 -7.502 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.329 10.470 -9.377 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.608 9.284 -8.262 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.581 10.141 -9.435 1.00 0.00 H new ATOM 151 N GLY A 24 2.597 12.540 -2.753 1.00 0.00 N ATOM 152 CA GLY A 24 2.075 13.317 -1.641 1.00 0.00 C ATOM 153 C GLY A 24 2.879 13.073 -0.357 1.00 0.00 C ATOM 154 O GLY A 24 2.308 12.904 0.715 1.00 0.00 O ATOM 0 H GLY A 24 2.027 11.729 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.102 14.377 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.030 13.056 -1.472 1.00 0.00 H new ATOM 155 N SER A 25 4.211 13.056 -0.470 1.00 0.00 N ATOM 156 CA SER A 25 5.180 12.869 0.588 1.00 0.00 C ATOM 157 C SER A 25 4.818 11.704 1.505 1.00 0.00 C ATOM 158 O SER A 25 4.816 11.889 2.722 1.00 0.00 O ATOM 159 CB SER A 25 5.301 14.181 1.374 1.00 0.00 C ATOM 160 OG SER A 25 5.631 15.236 0.491 1.00 0.00 O ATOM 0 H SER A 25 4.662 13.183 -1.376 1.00 0.00 H new ATOM 0 HA SER A 25 6.142 12.612 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.362 14.400 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.066 14.086 2.144 1.00 0.00 H new ATOM 0 HG SER A 25 5.706 16.073 0.995 1.00 0.00 H new ATOM 161 N ALA A 26 4.538 10.506 0.968 1.00 0.00 N ATOM 162 CA ALA A 26 4.205 9.416 1.869 1.00 0.00 C ATOM 163 C ALA A 26 5.324 9.149 2.867 1.00 0.00 C ATOM 164 O ALA A 26 6.477 9.027 2.464 1.00 0.00 O ATOM 165 CB ALA A 26 3.975 8.134 1.074 1.00 0.00 C ATOM 0 H ALA A 26 4.536 10.283 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 26 3.304 9.710 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.726 7.322 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.154 8.283 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.881 7.880 0.523 1.00 0.00 H new ATOM 166 N LYS A 27 5.019 9.070 4.166 1.00 0.00 N ATOM 167 CA LYS A 27 6.048 8.686 5.123 1.00 0.00 C ATOM 168 C LYS A 27 6.515 7.305 4.620 1.00 0.00 C ATOM 169 O LYS A 27 5.652 6.519 4.220 1.00 0.00 O ATOM 170 CB LYS A 27 5.483 8.701 6.553 1.00 0.00 C ATOM 171 CG LYS A 27 4.339 7.704 6.778 1.00 0.00 C ATOM 172 CD LYS A 27 3.584 8.017 8.075 1.00 0.00 C ATOM 173 CE LYS A 27 2.458 7.005 8.329 1.00 0.00 C ATOM 174 NZ LYS A 27 1.422 7.050 7.280 1.00 0.00 N ATOM 0 H LYS A 27 4.100 9.260 4.564 1.00 0.00 H new ATOM 0 HA LYS A 27 6.895 9.370 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.288 8.480 7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.127 9.705 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.650 7.740 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.738 6.691 6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.280 8.007 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.166 9.022 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.879 6.001 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.001 7.208 9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.605 6.479 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.121 8.034 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.809 6.669 6.393 1.00 0.00 H new ATOM 175 N PRO A 28 7.829 7.024 4.559 1.00 0.00 N ATOM 176 CA PRO A 28 8.378 5.798 3.984 1.00 0.00 C ATOM 177 C PRO A 28 7.553 4.556 4.321 1.00 0.00 C ATOM 178 O PRO A 28 7.597 4.074 5.448 1.00 0.00 O ATOM 179 CB PRO A 28 9.828 5.707 4.474 1.00 0.00 C ATOM 180 CG PRO A 28 9.892 6.683 5.648 1.00 0.00 C ATOM 181 CD PRO A 28 8.872 7.751 5.259 1.00 0.00 C ATOM 0 HA PRO A 28 8.343 5.836 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.080 4.693 4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.531 5.983 3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.632 6.200 6.590 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.890 7.103 5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.478 8.261 6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.320 8.513 4.622 1.00 0.00 H new ATOM 182 N VAL A 29 6.817 4.038 3.326 1.00 0.00 N ATOM 183 CA VAL A 29 5.959 2.868 3.474 1.00 0.00 C ATOM 184 C VAL A 29 6.775 1.677 3.997 1.00 0.00 C ATOM 185 O VAL A 29 6.190 0.750 4.552 1.00 0.00 O ATOM 186 CB VAL A 29 5.206 2.582 2.159 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.476 1.239 2.188 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.101 3.628 1.963 1.00 0.00 C ATOM 0 H VAL A 29 6.806 4.431 2.385 1.00 0.00 H new ATOM 0 HA VAL A 29 5.190 3.062 4.222 1.00 0.00 H new ATOM 0 HB VAL A 29 5.958 2.594 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.961 1.084 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.197 0.436 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.749 1.238 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.569 3.425 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.403 3.580 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.545 4.622 1.918 1.00 0.00 H new ATOM 189 N LYS A 30 8.099 1.666 3.785 1.00 0.00 N ATOM 190 CA LYS A 30 9.026 0.666 4.294 1.00 0.00 C ATOM 191 C LYS A 30 8.783 0.298 5.751 1.00 0.00 C ATOM 192 O LYS A 30 9.337 0.861 6.692 1.00 0.00 O ATOM 193 CB LYS A 30 10.444 1.170 4.097 1.00 0.00 C ATOM 194 CG LYS A 30 11.527 0.140 4.438 1.00 0.00 C ATOM 195 CD LYS A 30 12.921 0.774 4.356 1.00 0.00 C ATOM 196 CE LYS A 30 14.020 -0.247 4.674 1.00 0.00 C ATOM 197 NZ LYS A 30 14.003 -1.388 3.740 1.00 0.00 N ATOM 0 H LYS A 30 8.564 2.386 3.231 1.00 0.00 H new ATOM 0 HA LYS A 30 8.863 -0.252 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.567 1.481 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.593 2.056 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.359 -0.254 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.464 -0.703 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.079 1.181 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.984 1.608 5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.993 0.243 4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.892 -0.611 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.926 -1.866 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.260 -2.058 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.811 -1.046 2.777 1.00 0.00 H new ATOM 198 N GLY A 31 7.956 -0.722 5.873 1.00 0.00 N ATOM 199 CA GLY A 31 7.538 -1.324 7.116 1.00 0.00 C ATOM 200 C GLY A 31 6.591 -0.396 7.857 1.00 0.00 C ATOM 201 O GLY A 31 6.768 -0.185 9.054 1.00 0.00 O ATOM 0 H GLY A 31 7.537 -1.175 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.046 -2.276 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.409 -1.537 7.736 1.00 0.00 H new ATOM 202 N GLN A 32 5.573 0.139 7.159 1.00 0.00 N ATOM 203 CA GLN A 32 4.601 1.035 7.795 1.00 0.00 C ATOM 204 C GLN A 32 4.032 0.295 9.037 1.00 0.00 C ATOM 205 O GLN A 32 3.771 0.893 10.077 1.00 0.00 O ATOM 206 CB GLN A 32 3.539 1.551 6.788 1.00 0.00 C ATOM 207 CG GLN A 32 3.013 3.001 6.928 1.00 0.00 C ATOM 208 CD GLN A 32 3.994 4.054 6.394 1.00 0.00 C ATOM 209 OE1 GLN A 32 5.076 4.179 6.952 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.687 4.826 5.340 1.00 0.00 N ATOM 0 H GLN A 32 5.406 -0.033 6.167 1.00 0.00 H new ATOM 0 HA GLN A 32 5.074 1.955 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.958 1.448 5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.680 0.883 6.844 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.067 3.091 6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.806 3.206 7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.785 4.720 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.356 5.518 5.003 1.00 0.00 H new ATOM 211 N GLY A 33 3.864 -1.029 8.899 1.00 0.00 N ATOM 212 CA GLY A 33 3.491 -2.029 9.894 1.00 0.00 C ATOM 213 C GLY A 33 3.325 -3.370 9.167 1.00 0.00 C ATOM 214 O GLY A 33 4.298 -3.928 8.668 1.00 0.00 O ATOM 0 H GLY A 33 4.003 -1.465 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.257 -2.105 10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.563 -1.746 10.392 1.00 0.00 H new ATOM 215 N ALA A 34 2.082 -3.846 9.074 1.00 0.00 N ATOM 216 CA ALA A 34 1.569 -5.043 8.389 1.00 0.00 C ATOM 217 C ALA A 34 0.086 -4.980 8.685 1.00 0.00 C ATOM 218 O ALA A 34 -0.712 -4.748 7.785 1.00 0.00 O ATOM 219 CB ALA A 34 2.188 -6.377 8.816 1.00 0.00 C ATOM 0 H ALA A 34 1.319 -3.346 9.529 1.00 0.00 H new ATOM 0 HA ALA A 34 1.825 -5.025 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.734 -7.188 8.246 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.261 -6.357 8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.010 -6.537 9.879 1.00 0.00 H new ATOM 220 N GLU A 35 -0.269 -5.086 9.970 1.00 0.00 N ATOM 221 CA GLU A 35 -1.649 -4.882 10.375 1.00 0.00 C ATOM 222 C GLU A 35 -1.964 -3.430 9.997 1.00 0.00 C ATOM 223 O GLU A 35 -3.034 -3.149 9.475 1.00 0.00 O ATOM 224 CB GLU A 35 -1.827 -5.157 11.875 1.00 0.00 C ATOM 225 CG GLU A 35 -3.247 -4.835 12.371 1.00 0.00 C ATOM 226 CD GLU A 35 -4.345 -5.540 11.573 1.00 0.00 C ATOM 227 OE1 GLU A 35 -4.169 -6.748 11.304 1.00 0.00 O ATOM 228 OE2 GLU A 35 -5.343 -4.859 11.253 1.00 0.00 O ATOM 0 H GLU A 35 0.374 -5.308 10.730 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.337 -5.568 9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.604 -6.205 12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.106 -4.563 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.331 -5.120 13.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.406 -3.758 12.320 1.00 0.00 H new ATOM 229 N GLU A 36 -0.996 -2.527 10.220 1.00 0.00 N ATOM 230 CA GLU A 36 -1.091 -1.121 9.864 1.00 0.00 C ATOM 231 C GLU A 36 -1.443 -1.034 8.378 1.00 0.00 C ATOM 232 O GLU A 36 -2.536 -0.624 8.004 1.00 0.00 O ATOM 233 CB GLU A 36 0.262 -0.426 10.150 1.00 0.00 C ATOM 234 CG GLU A 36 0.205 1.101 10.068 1.00 0.00 C ATOM 235 CD GLU A 36 -0.793 1.694 11.058 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.382 1.917 12.217 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.952 1.896 10.640 1.00 0.00 O ATOM 0 H GLU A 36 -0.110 -2.770 10.663 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.861 -0.620 10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.604 -0.714 11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.004 -0.791 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.196 1.511 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.069 1.399 9.056 1.00 0.00 H new ATOM 238 N LEU A 37 -0.504 -1.475 7.538 1.00 0.00 N ATOM 239 CA LEU A 37 -0.617 -1.475 6.095 1.00 0.00 C ATOM 240 C LEU A 37 -1.947 -2.078 5.626 1.00 0.00 C ATOM 241 O LEU A 37 -2.585 -1.539 4.725 1.00 0.00 O ATOM 242 CB LEU A 37 0.582 -2.216 5.469 1.00 0.00 C ATOM 243 CG LEU A 37 1.959 -1.601 5.792 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.089 -2.631 5.814 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.347 -0.599 4.711 1.00 0.00 C ATOM 0 H LEU A 37 0.385 -1.854 7.865 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.603 -0.439 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.572 -3.251 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.454 -2.238 4.387 1.00 0.00 H new ATOM 0 HG LEU A 37 1.849 -1.149 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.030 -2.133 6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.879 -3.385 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.164 -3.110 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.321 -0.169 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.397 -1.105 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.601 0.195 4.666 1.00 0.00 H new ATOM 246 N TYR A 38 -2.384 -3.177 6.240 1.00 0.00 N ATOM 247 CA TYR A 38 -3.611 -3.861 5.877 1.00 0.00 C ATOM 248 C TYR A 38 -4.835 -3.070 6.296 1.00 0.00 C ATOM 249 O TYR A 38 -5.811 -3.010 5.558 1.00 0.00 O ATOM 250 CB TYR A 38 -3.622 -5.222 6.563 1.00 0.00 C ATOM 251 CG TYR A 38 -4.913 -6.007 6.406 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.450 -6.254 5.127 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.668 -6.326 7.551 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.750 -6.776 4.995 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.955 -6.872 7.417 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.508 -7.068 6.142 1.00 0.00 C ATOM 257 OH TYR A 38 -8.781 -7.542 6.042 1.00 0.00 O ATOM 0 H TYR A 38 -1.885 -3.618 7.013 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.646 -3.972 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.800 -5.819 6.167 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.428 -5.078 7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.862 -6.042 4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.257 -6.150 8.534 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.165 -6.952 4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.520 -7.142 8.297 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.129 -7.359 5.144 1.00 0.00 H new ATOM 258 N LYS A 39 -4.801 -2.484 7.488 1.00 0.00 N ATOM 259 CA LYS A 39 -5.916 -1.708 8.003 1.00 0.00 C ATOM 260 C LYS A 39 -6.075 -0.467 7.130 1.00 0.00 C ATOM 261 O LYS A 39 -7.186 -0.074 6.769 1.00 0.00 O ATOM 262 CB LYS A 39 -5.643 -1.348 9.470 1.00 0.00 C ATOM 263 CG LYS A 39 -6.871 -0.737 10.157 1.00 0.00 C ATOM 264 CD LYS A 39 -6.537 -0.216 11.563 1.00 0.00 C ATOM 265 CE LYS A 39 -5.884 -1.260 12.480 1.00 0.00 C ATOM 266 NZ LYS A 39 -6.681 -2.496 12.574 1.00 0.00 N ATOM 0 H LYS A 39 -4.002 -2.535 8.120 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.846 -2.276 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.335 -2.243 10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.813 -0.643 9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.259 0.080 9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.660 -1.486 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.869 0.641 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.453 0.142 12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.889 -1.499 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.755 -0.836 13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.754 -2.787 13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.633 -2.325 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.219 -3.250 12.026 1.00 0.00 H new ATOM 267 N LYS A 40 -4.940 0.129 6.768 1.00 0.00 N ATOM 268 CA LYS A 40 -4.874 1.311 5.954 1.00 0.00 C ATOM 269 C LYS A 40 -5.426 0.978 4.570 1.00 0.00 C ATOM 270 O LYS A 40 -6.331 1.651 4.071 1.00 0.00 O ATOM 271 CB LYS A 40 -3.408 1.736 5.934 1.00 0.00 C ATOM 272 CG LYS A 40 -2.928 2.292 7.286 1.00 0.00 C ATOM 273 CD LYS A 40 -3.300 3.765 7.467 1.00 0.00 C ATOM 274 CE LYS A 40 -2.871 4.277 8.845 1.00 0.00 C ATOM 275 NZ LYS A 40 -3.183 5.707 9.009 1.00 0.00 N ATOM 0 H LYS A 40 -4.023 -0.218 7.048 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.473 2.137 6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.791 0.881 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.265 2.494 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.365 1.706 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.846 2.180 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.823 4.362 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.376 3.889 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.375 3.702 9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.800 4.119 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.434 6.164 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.242 6.159 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.093 5.809 9.501 1.00 0.00 H new ATOM 276 N MET A 41 -4.906 -0.090 3.956 1.00 0.00 N ATOM 277 CA MET A 41 -5.387 -0.513 2.661 1.00 0.00 C ATOM 278 C MET A 41 -6.851 -0.906 2.745 1.00 0.00 C ATOM 279 O MET A 41 -7.568 -0.621 1.808 1.00 0.00 O ATOM 280 CB MET A 41 -4.566 -1.672 2.114 1.00 0.00 C ATOM 281 CG MET A 41 -3.313 -1.134 1.423 1.00 0.00 C ATOM 282 SD MET A 41 -2.368 -2.363 0.499 1.00 0.00 S ATOM 283 CE MET A 41 -1.945 -3.455 1.864 1.00 0.00 C ATOM 0 H MET A 41 -4.158 -0.666 4.341 1.00 0.00 H new ATOM 0 HA MET A 41 -5.281 0.328 1.976 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.286 -2.346 2.924 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.162 -2.251 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.606 -0.335 0.742 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.663 -0.688 2.176 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.171 -4.153 1.545 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.577 -2.864 2.702 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.830 -4.011 2.173 1.00 0.00 H new ATOM 284 N LYS A 42 -7.326 -1.554 3.807 1.00 0.00 N ATOM 285 CA LYS A 42 -8.740 -1.894 3.908 1.00 0.00 C ATOM 286 C LYS A 42 -9.535 -0.585 3.865 1.00 0.00 C ATOM 287 O LYS A 42 -10.492 -0.451 3.104 1.00 0.00 O ATOM 288 CB LYS A 42 -8.987 -2.713 5.181 1.00 0.00 C ATOM 289 CG LYS A 42 -10.457 -3.134 5.306 1.00 0.00 C ATOM 290 CD LYS A 42 -10.646 -4.247 6.348 1.00 0.00 C ATOM 291 CE LYS A 42 -10.036 -3.921 7.717 1.00 0.00 C ATOM 292 NZ LYS A 42 -10.537 -2.644 8.253 1.00 0.00 N ATOM 0 H LYS A 42 -6.758 -1.851 4.601 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.068 -2.521 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.354 -3.600 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.701 -2.126 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.060 -2.270 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.820 -3.478 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.712 -4.439 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.198 -5.166 5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.267 -4.724 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.950 -3.877 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.208 -2.526 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.180 -1.859 7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.577 -2.644 8.235 1.00 0.00 H new ATOM 293 N GLY A 43 -9.095 0.407 4.642 1.00 0.00 N ATOM 294 CA GLY A 43 -9.715 1.719 4.663 1.00 0.00 C ATOM 295 C GLY A 43 -9.782 2.337 3.267 1.00 0.00 C ATOM 296 O GLY A 43 -10.781 2.961 2.918 1.00 0.00 O ATOM 0 H GLY A 43 -8.298 0.316 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.721 1.639 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.152 2.377 5.325 1.00 0.00 H new ATOM 297 N TYR A 44 -8.707 2.219 2.481 1.00 0.00 N ATOM 298 CA TYR A 44 -8.687 2.725 1.110 1.00 0.00 C ATOM 299 C TYR A 44 -9.504 1.804 0.195 1.00 0.00 C ATOM 300 O TYR A 44 -10.087 2.263 -0.779 1.00 0.00 O ATOM 301 CB TYR A 44 -7.244 2.820 0.599 1.00 0.00 C ATOM 302 CG TYR A 44 -6.381 3.945 1.145 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.887 5.256 1.255 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.009 3.717 1.362 1.00 0.00 C ATOM 305 CE1 TYR A 44 -6.054 6.305 1.681 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.161 4.788 1.693 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.680 6.078 1.854 1.00 0.00 C ATOM 308 OH TYR A 44 -3.848 7.070 2.266 1.00 0.00 O ATOM 0 H TYR A 44 -7.837 1.775 2.775 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.131 3.720 1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.746 1.876 0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.277 2.917 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.920 5.455 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.608 2.718 1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.470 7.283 1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.103 4.615 1.824 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.728 7.014 3.237 1.00 0.00 H new ATOM 309 N ALA A 45 -9.544 0.505 0.496 1.00 0.00 N ATOM 310 CA ALA A 45 -10.282 -0.497 -0.257 1.00 0.00 C ATOM 311 C ALA A 45 -11.740 -0.063 -0.248 1.00 0.00 C ATOM 312 O ALA A 45 -12.392 -0.095 -1.288 1.00 0.00 O ATOM 313 CB ALA A 45 -10.142 -1.901 0.341 1.00 0.00 C ATOM 0 H ALA A 45 -9.047 0.114 1.296 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.883 -0.561 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.712 -2.610 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.091 -2.191 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.523 -1.901 1.362 1.00 0.00 H new ATOM 314 N ASP A 46 -12.251 0.337 0.929 1.00 0.00 N ATOM 315 CA ASP A 46 -13.624 0.827 0.997 1.00 0.00 C ATOM 316 C ASP A 46 -13.641 2.283 0.503 1.00 0.00 C ATOM 317 O ASP A 46 -14.549 2.664 -0.233 1.00 0.00 O ATOM 318 CB ASP A 46 -14.240 0.614 2.389 1.00 0.00 C ATOM 319 CG ASP A 46 -13.576 1.386 3.518 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.779 2.616 3.557 1.00 0.00 O ATOM 321 OD2 ASP A 46 -12.907 0.730 4.344 1.00 0.00 O ATOM 0 H ASP A 46 -11.747 0.330 1.816 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.272 0.248 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.293 0.894 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.202 -0.449 2.626 1.00 0.00 H new ATOM 322 N GLY A 47 -12.624 3.078 0.862 1.00 0.00 N ATOM 323 CA GLY A 47 -12.448 4.464 0.439 1.00 0.00 C ATOM 324 C GLY A 47 -12.530 5.481 1.579 1.00 0.00 C ATOM 325 O GLY A 47 -12.307 6.668 1.348 1.00 0.00 O ATOM 0 H GLY A 47 -11.877 2.757 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.480 4.562 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.208 4.705 -0.304 1.00 0.00 H new ATOM 326 N SER A 48 -12.837 5.047 2.804 1.00 0.00 N ATOM 327 CA SER A 48 -12.972 5.932 3.952 1.00 0.00 C ATOM 328 C SER A 48 -11.612 6.454 4.437 1.00 0.00 C ATOM 329 O SER A 48 -11.555 7.581 4.928 1.00 0.00 O ATOM 330 CB SER A 48 -13.769 5.222 5.064 1.00 0.00 C ATOM 331 OG SER A 48 -14.029 6.095 6.146 1.00 0.00 O ATOM 0 H SER A 48 -12.999 4.064 3.023 1.00 0.00 H new ATOM 0 HA SER A 48 -13.532 6.817 3.650 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.710 4.850 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.210 4.356 5.419 1.00 0.00 H new ATOM 0 HG SER A 48 -14.537 5.619 6.836 1.00 0.00 H new ATOM 332 N TYR A 49 -10.515 5.689 4.324 1.00 0.00 N ATOM 333 CA TYR A 49 -9.230 6.215 4.787 1.00 0.00 C ATOM 334 C TYR A 49 -8.746 7.263 3.781 1.00 0.00 C ATOM 335 O TYR A 49 -9.040 7.161 2.592 1.00 0.00 O ATOM 336 CB TYR A 49 -8.209 5.090 5.003 1.00 0.00 C ATOM 337 CG TYR A 49 -6.836 5.553 5.466 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.711 6.443 6.550 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.679 5.123 4.793 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.463 7.015 6.853 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.429 5.690 5.100 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.327 6.668 6.104 1.00 0.00 C ATOM 343 OH TYR A 49 -3.110 7.151 6.486 1.00 0.00 O ATOM 0 H TYR A 49 -10.491 4.747 3.934 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.351 6.692 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.609 4.392 5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.095 4.538 4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.575 6.687 7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.750 4.355 4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.378 7.723 7.664 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.547 5.373 4.564 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.420 6.823 5.871 1.00 0.00 H new ATOM 372 N LYS A 54 -4.953 9.683 -1.575 1.00 0.00 N ATOM 373 CA LYS A 54 -5.937 8.696 -1.219 1.00 0.00 C ATOM 374 C LYS A 54 -6.746 8.219 -2.423 1.00 0.00 C ATOM 375 O LYS A 54 -7.199 7.082 -2.432 1.00 0.00 O ATOM 376 CB LYS A 54 -6.851 9.308 -0.164 1.00 0.00 C ATOM 377 CG LYS A 54 -7.805 10.440 -0.581 1.00 0.00 C ATOM 378 CD LYS A 54 -9.180 10.012 -1.137 1.00 0.00 C ATOM 379 CE LYS A 54 -10.151 9.378 -0.125 1.00 0.00 C ATOM 380 NZ LYS A 54 -9.964 7.924 0.048 1.00 0.00 N ATOM 0 HA LYS A 54 -5.430 7.814 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.455 8.504 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.220 9.687 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.972 11.082 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.305 11.046 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.662 10.887 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.017 9.302 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.027 9.869 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.174 9.567 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.891 7.466 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.483 7.534 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.386 7.747 0.894 1.00 0.00 H new ATOM 381 N ALA A 55 -6.968 9.083 -3.419 1.00 0.00 N ATOM 382 CA ALA A 55 -7.736 8.734 -4.606 1.00 0.00 C ATOM 383 C ALA A 55 -6.995 7.670 -5.412 1.00 0.00 C ATOM 384 O ALA A 55 -7.553 6.614 -5.708 1.00 0.00 O ATOM 385 CB ALA A 55 -7.991 9.991 -5.442 1.00 0.00 C ATOM 0 H ALA A 55 -6.618 10.041 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.700 8.320 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.566 9.727 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.550 10.715 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.039 10.427 -5.743 1.00 0.00 H new ATOM 386 N MET A 56 -5.732 7.950 -5.755 1.00 0.00 N ATOM 387 CA MET A 56 -4.899 7.017 -6.499 1.00 0.00 C ATOM 388 C MET A 56 -4.835 5.711 -5.712 1.00 0.00 C ATOM 389 O MET A 56 -5.028 4.629 -6.263 1.00 0.00 O ATOM 390 CB MET A 56 -3.498 7.614 -6.696 1.00 0.00 C ATOM 391 CG MET A 56 -2.585 6.676 -7.497 1.00 0.00 C ATOM 392 SD MET A 56 -3.166 6.253 -9.160 1.00 0.00 S ATOM 393 CE MET A 56 -1.911 5.042 -9.624 1.00 0.00 C ATOM 0 H MET A 56 -5.267 8.827 -5.523 1.00 0.00 H new ATOM 0 HA MET A 56 -5.319 6.826 -7.487 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.580 8.570 -7.213 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.049 7.815 -5.723 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.602 7.139 -7.582 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.455 5.754 -6.931 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.115 4.673 -10.629 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.927 5.511 -9.603 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.931 4.209 -8.921 1.00 0.00 H new ATOM 394 N MET A 57 -4.581 5.838 -4.408 1.00 0.00 N ATOM 395 CA MET A 57 -4.505 4.707 -3.509 1.00 0.00 C ATOM 396 C MET A 57 -5.788 3.882 -3.609 1.00 0.00 C ATOM 397 O MET A 57 -5.740 2.728 -4.014 1.00 0.00 O ATOM 398 CB MET A 57 -4.221 5.234 -2.092 1.00 0.00 C ATOM 399 CG MET A 57 -2.710 5.405 -1.864 1.00 0.00 C ATOM 400 SD MET A 57 -1.719 3.920 -2.185 1.00 0.00 S ATOM 401 CE MET A 57 -2.611 2.674 -1.226 1.00 0.00 C ATOM 0 H MET A 57 -4.423 6.737 -3.953 1.00 0.00 H new ATOM 0 HA MET A 57 -3.691 4.034 -3.779 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.725 6.189 -1.947 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.629 4.543 -1.354 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.349 6.211 -2.504 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.546 5.718 -0.833 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.167 1.694 -1.401 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.548 2.917 -0.165 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.657 2.658 -1.533 1.00 0.00 H new ATOM 402 N THR A 58 -6.936 4.469 -3.284 1.00 0.00 N ATOM 403 CA THR A 58 -8.242 3.833 -3.367 1.00 0.00 C ATOM 404 C THR A 58 -8.399 3.136 -4.721 1.00 0.00 C ATOM 405 O THR A 58 -8.788 1.974 -4.765 1.00 0.00 O ATOM 406 CB THR A 58 -9.335 4.897 -3.146 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.236 5.412 -1.832 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.752 4.350 -3.339 1.00 0.00 C ATOM 0 H THR A 58 -6.982 5.430 -2.945 1.00 0.00 H new ATOM 0 HA THR A 58 -8.339 3.072 -2.593 1.00 0.00 H new ATOM 0 HB THR A 58 -9.169 5.672 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.562 6.123 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.476 5.147 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.861 3.971 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.930 3.542 -2.630 1.00 0.00 H new ATOM 409 N ASN A 59 -8.076 3.811 -5.827 1.00 0.00 N ATOM 410 CA ASN A 59 -8.192 3.212 -7.153 1.00 0.00 C ATOM 411 C ASN A 59 -7.297 1.971 -7.274 1.00 0.00 C ATOM 412 O ASN A 59 -7.721 0.966 -7.846 1.00 0.00 O ATOM 413 CB ASN A 59 -7.821 4.249 -8.224 1.00 0.00 C ATOM 414 CG ASN A 59 -8.236 3.882 -9.653 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.363 4.766 -10.492 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.467 2.612 -9.982 1.00 0.00 N ATOM 0 H ASN A 59 -7.733 4.771 -5.828 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.224 2.896 -7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.282 5.201 -7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.742 4.401 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.750 2.375 -10.933 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.361 1.877 -9.283 1.00 0.00 H new ATOM 417 N ALA A 60 -6.064 2.037 -6.769 1.00 0.00 N ATOM 418 CA ALA A 60 -5.107 0.940 -6.844 1.00 0.00 C ATOM 419 C ALA A 60 -5.465 -0.221 -5.910 1.00 0.00 C ATOM 420 O ALA A 60 -5.188 -1.376 -6.214 1.00 0.00 O ATOM 421 CB ALA A 60 -3.721 1.482 -6.479 1.00 0.00 C ATOM 0 H ALA A 60 -5.702 2.863 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.123 0.546 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.990 0.675 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.442 2.269 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.744 1.888 -5.468 1.00 0.00 H new ATOM 422 N VAL A 61 -6.082 0.094 -4.774 1.00 0.00 N ATOM 423 CA VAL A 61 -6.432 -0.826 -3.704 1.00 0.00 C ATOM 424 C VAL A 61 -7.795 -1.500 -3.874 1.00 0.00 C ATOM 425 O VAL A 61 -7.891 -2.711 -3.701 1.00 0.00 O ATOM 426 CB VAL A 61 -6.359 0.000 -2.411 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.861 -0.708 -1.162 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.918 0.413 -2.099 1.00 0.00 C ATOM 0 H VAL A 61 -6.365 1.052 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.738 -1.667 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.010 0.848 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.768 -0.042 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.907 -0.983 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.268 -1.606 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.898 0.996 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.302 -0.478 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.527 1.015 -2.919 1.00 0.00 H new ATOM 429 N LYS A 62 -8.852 -0.746 -4.190 1.00 0.00 N ATOM 430 CA LYS A 62 -10.215 -1.259 -4.329 1.00 0.00 C ATOM 431 C LYS A 62 -10.293 -2.462 -5.280 1.00 0.00 C ATOM 432 O LYS A 62 -11.152 -3.324 -5.112 1.00 0.00 O ATOM 433 CB LYS A 62 -11.132 -0.106 -4.770 1.00 0.00 C ATOM 434 CG LYS A 62 -12.620 -0.489 -4.761 1.00 0.00 C ATOM 435 CD LYS A 62 -13.532 0.681 -5.168 1.00 0.00 C ATOM 436 CE LYS A 62 -13.639 1.797 -4.116 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.276 1.331 -2.872 1.00 0.00 N ATOM 0 H LYS A 62 -8.781 0.257 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.554 -1.636 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.978 0.747 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.850 0.212 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.781 -1.325 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.898 -0.832 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.160 1.110 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.530 0.294 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.643 2.178 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.213 2.627 -4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.496 2.148 -2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.154 0.823 -3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.628 0.692 -2.368 1.00 0.00 H new ATOM 438 N LYS A 63 -9.410 -2.530 -6.279 1.00 0.00 N ATOM 439 CA LYS A 63 -9.389 -3.637 -7.227 1.00 0.00 C ATOM 440 C LYS A 63 -8.899 -4.949 -6.590 1.00 0.00 C ATOM 441 O LYS A 63 -9.061 -6.003 -7.201 1.00 0.00 O ATOM 442 CB LYS A 63 -8.531 -3.260 -8.444 1.00 0.00 C ATOM 443 CG LYS A 63 -7.124 -2.769 -8.072 1.00 0.00 C ATOM 444 CD LYS A 63 -6.154 -2.826 -9.260 1.00 0.00 C ATOM 445 CE LYS A 63 -6.582 -1.940 -10.437 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.593 -0.510 -10.079 1.00 0.00 N ATOM 0 H LYS A 63 -8.695 -1.822 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.414 -3.818 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.444 -4.126 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.041 -2.481 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.185 -1.745 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.733 -3.378 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.163 -2.520 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.070 -3.857 -9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.903 -2.098 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.576 -2.237 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.904 0.050 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.247 -0.356 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.635 -0.214 -9.801 1.00 0.00 H new ATOM 447 N TYR A 64 -8.280 -4.912 -5.403 1.00 0.00 N ATOM 448 CA TYR A 64 -7.778 -6.060 -4.699 1.00 0.00 C ATOM 449 C TYR A 64 -8.750 -6.411 -3.577 1.00 0.00 C ATOM 450 O TYR A 64 -9.513 -5.589 -3.076 1.00 0.00 O ATOM 451 CB TYR A 64 -6.403 -5.733 -4.110 1.00 0.00 C ATOM 452 CG TYR A 64 -5.340 -5.257 -5.081 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.149 -5.889 -6.326 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.466 -4.231 -4.683 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.114 -5.466 -7.179 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.417 -3.832 -5.522 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.248 -4.434 -6.777 1.00 0.00 C ATOM 458 OH TYR A 64 -2.226 -4.035 -7.585 1.00 0.00 O ATOM 0 H TYR A 64 -8.117 -4.039 -4.902 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.682 -6.905 -5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.534 -4.966 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.029 -6.624 -3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.798 -6.699 -6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.603 -3.748 -3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.984 -5.934 -8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.736 -3.058 -5.201 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.729 -3.311 -7.150 1.00 0.00 H new ATOM 459 N SER A 65 -8.673 -7.672 -3.191 1.00 0.00 N ATOM 460 CA SER A 65 -9.449 -8.321 -2.145 1.00 0.00 C ATOM 461 C SER A 65 -8.644 -8.342 -0.846 1.00 0.00 C ATOM 462 O SER A 65 -7.424 -8.209 -0.884 1.00 0.00 O ATOM 463 CB SER A 65 -9.770 -9.749 -2.592 1.00 0.00 C ATOM 464 OG SER A 65 -8.577 -10.489 -2.788 1.00 0.00 O ATOM 0 H SER A 65 -8.019 -8.318 -3.632 1.00 0.00 H new ATOM 0 HA SER A 65 -10.376 -7.775 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.390 -10.240 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.346 -9.726 -3.517 1.00 0.00 H new ATOM 0 HG SER A 65 -8.168 -10.230 -3.640 1.00 0.00 H new ATOM 465 N ASP A 66 -9.301 -8.557 0.298 1.00 0.00 N ATOM 466 CA ASP A 66 -8.637 -8.601 1.599 1.00 0.00 C ATOM 467 C ASP A 66 -7.414 -9.520 1.590 1.00 0.00 C ATOM 468 O ASP A 66 -6.399 -9.180 2.189 1.00 0.00 O ATOM 469 CB ASP A 66 -9.628 -9.044 2.677 1.00 0.00 C ATOM 470 CG ASP A 66 -10.620 -7.929 2.969 1.00 0.00 C ATOM 471 OD1 ASP A 66 -11.634 -7.874 2.242 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.318 -7.136 3.889 1.00 0.00 O ATOM 0 H ASP A 66 -10.309 -8.705 0.345 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.283 -7.595 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.160 -9.937 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.091 -9.311 3.587 1.00 0.00 H new ATOM 473 N GLU A 67 -7.499 -10.674 0.924 1.00 0.00 N ATOM 474 CA GLU A 67 -6.389 -11.615 0.830 1.00 0.00 C ATOM 475 C GLU A 67 -5.201 -10.933 0.140 1.00 0.00 C ATOM 476 O GLU A 67 -4.090 -10.900 0.668 1.00 0.00 O ATOM 477 CB GLU A 67 -6.876 -12.867 0.078 1.00 0.00 C ATOM 478 CG GLU A 67 -5.809 -13.965 -0.065 1.00 0.00 C ATOM 479 CD GLU A 67 -4.836 -13.714 -1.215 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.317 -13.529 -2.355 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.611 -13.707 -0.961 1.00 0.00 O ATOM 0 H GLU A 67 -8.341 -10.979 0.436 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.047 -11.927 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.739 -13.279 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.215 -12.573 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.248 -14.041 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.303 -14.924 -0.219 1.00 0.00 H new ATOM 482 N GLU A 68 -5.438 -10.393 -1.057 1.00 0.00 N ATOM 483 CA GLU A 68 -4.427 -9.699 -1.837 1.00 0.00 C ATOM 484 C GLU A 68 -3.834 -8.547 -1.022 1.00 0.00 C ATOM 485 O GLU A 68 -2.617 -8.404 -0.944 1.00 0.00 O ATOM 486 CB GLU A 68 -5.079 -9.189 -3.123 1.00 0.00 C ATOM 487 CG GLU A 68 -5.397 -10.320 -4.105 1.00 0.00 C ATOM 488 CD GLU A 68 -6.209 -9.780 -5.274 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.386 -9.444 -5.018 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.636 -9.693 -6.381 1.00 0.00 O ATOM 0 H GLU A 68 -6.350 -10.429 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.611 -10.375 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.998 -8.658 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.415 -8.470 -3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.472 -10.767 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.954 -11.108 -3.598 1.00 0.00 H new ATOM 491 N LEU A 69 -4.694 -7.733 -0.412 1.00 0.00 N ATOM 492 CA LEU A 69 -4.294 -6.602 0.410 1.00 0.00 C ATOM 493 C LEU A 69 -3.418 -7.069 1.575 1.00 0.00 C ATOM 494 O LEU A 69 -2.364 -6.493 1.837 1.00 0.00 O ATOM 495 CB LEU A 69 -5.552 -5.883 0.913 1.00 0.00 C ATOM 496 CG LEU A 69 -6.354 -5.188 -0.198 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.579 -4.506 0.415 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.515 -4.159 -0.952 1.00 0.00 C ATOM 0 H LEU A 69 -5.705 -7.847 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.701 -5.906 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.196 -6.605 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.262 -5.142 1.658 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.663 -5.948 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.151 -4.011 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.204 -5.253 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.255 -3.767 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.122 -3.693 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.165 -3.396 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.658 -4.653 -1.410 1.00 0.00 H new ATOM 499 N LYS A 70 -3.830 -8.118 2.284 1.00 0.00 N ATOM 500 CA LYS A 70 -3.065 -8.639 3.404 1.00 0.00 C ATOM 501 C LYS A 70 -1.709 -9.158 2.914 1.00 0.00 C ATOM 502 O LYS A 70 -0.699 -8.968 3.592 1.00 0.00 O ATOM 503 CB LYS A 70 -3.887 -9.721 4.111 1.00 0.00 C ATOM 504 CG LYS A 70 -3.256 -10.121 5.452 1.00 0.00 C ATOM 505 CD LYS A 70 -4.183 -11.019 6.284 1.00 0.00 C ATOM 506 CE LYS A 70 -5.390 -10.249 6.839 1.00 0.00 C ATOM 507 NZ LYS A 70 -6.181 -11.081 7.763 1.00 0.00 N ATOM 0 H LYS A 70 -4.696 -8.624 2.097 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.860 -7.850 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.901 -9.358 4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.965 -10.598 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.317 -10.642 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.016 -9.223 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.534 -11.846 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.620 -11.453 7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.045 -9.354 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.022 -9.917 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.989 -10.532 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.530 -11.922 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.584 -11.377 8.561 1.00 0.00 H new ATOM 508 N ALA A 71 -1.668 -9.792 1.737 1.00 0.00 N ATOM 509 CA ALA A 71 -0.423 -10.300 1.183 1.00 0.00 C ATOM 510 C ALA A 71 0.476 -9.114 0.845 1.00 0.00 C ATOM 511 O ALA A 71 1.667 -9.120 1.153 1.00 0.00 O ATOM 512 CB ALA A 71 -0.711 -11.157 -0.049 1.00 0.00 C ATOM 0 H ALA A 71 -2.488 -9.962 1.154 1.00 0.00 H new ATOM 0 HA ALA A 71 0.088 -10.934 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.227 -11.533 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.347 -11.996 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.218 -10.553 -0.802 1.00 0.00 H new ATOM 513 N LEU A 72 -0.096 -8.082 0.216 1.00 0.00 N ATOM 514 CA LEU A 72 0.636 -6.880 -0.118 1.00 0.00 C ATOM 515 C LEU A 72 1.246 -6.290 1.142 1.00 0.00 C ATOM 516 O LEU A 72 2.426 -5.960 1.158 1.00 0.00 O ATOM 517 CB LEU A 72 -0.340 -5.868 -0.710 1.00 0.00 C ATOM 518 CG LEU A 72 -0.328 -5.986 -2.220 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.339 -5.010 -2.772 1.00 0.00 C ATOM 520 CD2 LEU A 72 1.039 -5.563 -2.725 1.00 0.00 C ATOM 0 H LEU A 72 -1.075 -8.067 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 72 1.426 -7.114 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.345 -6.048 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.061 -4.858 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.555 -7.008 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.351 -5.075 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.328 -5.252 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.069 -3.998 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.066 -5.642 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.232 -4.531 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.802 -6.212 -2.295 1.00 0.00 H new ATOM 521 N ALA A 73 0.428 -6.130 2.183 1.00 0.00 N ATOM 522 CA ALA A 73 0.859 -5.574 3.451 1.00 0.00 C ATOM 523 C ALA A 73 1.999 -6.412 4.024 1.00 0.00 C ATOM 524 O ALA A 73 3.019 -5.861 4.423 1.00 0.00 O ATOM 525 CB ALA A 73 -0.330 -5.555 4.416 1.00 0.00 C ATOM 0 H ALA A 73 -0.559 -6.387 2.162 1.00 0.00 H new ATOM 0 HA ALA A 73 1.221 -4.556 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.015 -5.138 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.128 -4.942 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.694 -6.572 4.565 1.00 0.00 H new ATOM 526 N ASP A 74 1.827 -7.735 4.098 1.00 0.00 N ATOM 527 CA ASP A 74 2.868 -8.644 4.564 1.00 0.00 C ATOM 528 C ASP A 74 4.163 -8.382 3.785 1.00 0.00 C ATOM 529 O ASP A 74 5.235 -8.306 4.380 1.00 0.00 O ATOM 530 CB ASP A 74 2.411 -10.096 4.389 1.00 0.00 C ATOM 531 CG ASP A 74 3.551 -11.064 4.682 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.834 -11.264 5.882 1.00 0.00 O ATOM 533 OD2 ASP A 74 4.137 -11.565 3.698 1.00 0.00 O ATOM 0 H ASP A 74 0.959 -8.203 3.835 1.00 0.00 H new ATOM 0 HA ASP A 74 3.057 -8.471 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.574 -10.301 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.052 -10.248 3.371 1.00 0.00 H new ATOM 534 N TYR A 75 4.071 -8.224 2.460 1.00 0.00 N ATOM 535 CA TYR A 75 5.256 -7.933 1.658 1.00 0.00 C ATOM 536 C TYR A 75 5.816 -6.574 2.092 1.00 0.00 C ATOM 537 O TYR A 75 6.968 -6.501 2.514 1.00 0.00 O ATOM 538 CB TYR A 75 4.978 -7.985 0.152 1.00 0.00 C ATOM 539 CG TYR A 75 6.203 -7.575 -0.645 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.331 -8.417 -0.636 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.330 -6.254 -1.119 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.571 -7.949 -1.103 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.577 -5.782 -1.565 1.00 0.00 C ATOM 544 CZ TYR A 75 8.701 -6.623 -1.544 1.00 0.00 C ATOM 545 OH TYR A 75 9.919 -6.164 -1.950 1.00 0.00 O ATOM 0 H TYR A 75 3.202 -8.292 1.931 1.00 0.00 H new ATOM 0 HA TYR A 75 6.001 -8.709 1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.677 -8.994 -0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.145 -7.325 -0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.243 -9.429 -0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.468 -5.603 -1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.425 -8.610 -1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.671 -4.768 -1.925 1.00 0.00 H new ATOM 0 HH TYR A 75 9.840 -5.227 -2.226 1.00 0.00 H new ATOM 546 N MET A 76 5.025 -5.497 1.997 1.00 0.00 N ATOM 547 CA MET A 76 5.439 -4.173 2.450 1.00 0.00 C ATOM 548 C MET A 76 6.058 -4.194 3.862 1.00 0.00 C ATOM 549 O MET A 76 6.906 -3.369 4.189 1.00 0.00 O ATOM 550 CB MET A 76 4.232 -3.243 2.445 1.00 0.00 C ATOM 551 CG MET A 76 3.948 -2.684 1.054 1.00 0.00 C ATOM 552 SD MET A 76 2.587 -1.498 1.019 1.00 0.00 S ATOM 553 CE MET A 76 1.196 -2.632 1.042 1.00 0.00 C ATOM 0 H MET A 76 4.084 -5.524 1.604 1.00 0.00 H new ATOM 0 HA MET A 76 6.208 -3.819 1.763 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.356 -3.783 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.405 -2.420 3.138 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.849 -2.203 0.674 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.718 -3.509 0.379 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.405 -2.251 0.397 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.518 -3.610 0.683 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.820 -2.726 2.061 1.00 0.00 H new ATOM 554 N SER A 77 5.616 -5.108 4.724 1.00 0.00 N ATOM 555 CA SER A 77 6.151 -5.235 6.075 1.00 0.00 C ATOM 556 C SER A 77 7.657 -5.532 6.038 1.00 0.00 C ATOM 557 O SER A 77 8.400 -5.017 6.870 1.00 0.00 O ATOM 558 CB SER A 77 5.395 -6.322 6.850 1.00 0.00 C ATOM 559 OG SER A 77 5.690 -6.228 8.228 1.00 0.00 O ATOM 0 H SER A 77 4.879 -5.779 4.505 1.00 0.00 H new ATOM 0 HA SER A 77 6.010 -4.286 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.322 -6.213 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.674 -7.307 6.476 1.00 0.00 H new ATOM 0 HG SER A 77 5.264 -5.428 8.600 1.00 0.00 H new ATOM 560 N LYS A 78 8.112 -6.339 5.071 1.00 0.00 N ATOM 561 CA LYS A 78 9.506 -6.724 4.903 1.00 0.00 C ATOM 562 C LYS A 78 10.127 -5.980 3.714 1.00 0.00 C ATOM 563 O LYS A 78 10.969 -6.525 3.002 1.00 0.00 O ATOM 564 CB LYS A 78 9.555 -8.254 4.772 1.00 0.00 C ATOM 565 CG LYS A 78 8.801 -8.825 3.559 1.00 0.00 C ATOM 566 CD LYS A 78 8.899 -10.355 3.471 1.00 0.00 C ATOM 567 CE LYS A 78 8.209 -11.083 4.635 1.00 0.00 C ATOM 568 NZ LYS A 78 6.773 -10.759 4.728 1.00 0.00 N ATOM 0 H LYS A 78 7.498 -6.750 4.368 1.00 0.00 H new ATOM 0 HA LYS A 78 10.109 -6.439 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.598 -8.566 4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.141 -8.695 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.752 -8.534 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.203 -8.386 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.455 -10.686 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.950 -10.643 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.329 -12.159 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.701 -10.815 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.363 -11.234 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.655 -9.730 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.287 -11.085 3.868 1.00 0.00 H new ATOM 569 N LEU A 79 9.671 -4.746 3.494 1.00 0.00 N ATOM 570 CA LEU A 79 10.124 -3.861 2.435 1.00 0.00 C ATOM 571 C LEU A 79 11.456 -3.210 2.805 1.00 0.00 C ATOM 572 O LEU A 79 12.135 -2.730 1.873 1.00 0.00 O ATOM 573 CB LEU A 79 9.012 -2.825 2.263 1.00 0.00 C ATOM 574 CG LEU A 79 9.095 -1.807 1.128 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.141 -2.525 -0.205 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.816 -0.968 1.048 1.00 0.00 C ATOM 577 OXT LEU A 79 11.766 -3.157 4.017 1.00 0.00 O ATOM 0 H LEU A 79 8.947 -4.325 4.076 1.00 0.00 H new ATOM 0 HA LEU A 79 10.305 -4.397 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.075 -3.370 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.940 -2.267 3.196 1.00 0.00 H new ATOM 0 HG LEU A 79 9.978 -1.198 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.200 -1.793 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.016 -3.174 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.240 -3.126 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.902 -0.251 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.963 -1.622 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.672 -0.433 1.987 1.00 0.00 H new