USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=29 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 40 LYS NZ :NH3+ 158:sc= 1.09 (180deg=-0.232) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0.668 USER MOD Set 2.1: A 38 TYR OH : rot 28:sc= 1.5 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 175:sc= 0.683 (180deg=0.0446) USER MOD Set 3.1: A 41 MET CE :methyl -163:sc= -0.132 (180deg=-0.26) USER MOD Set 3.2: A 76 MET CE :methyl 161:sc= -0.32 (180deg=-1.15) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 32 GLN : amide:sc= 0.391 K(o=0.39,f=-1.1) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 166:sc= 0.543 (180deg=0.446) USER MOD Set 5.2: A 75 TYR OH : rot -26:sc= 1.29 USER MOD Set 6.1: A 7 TYR OH : rot 60:sc= -0.454 USER MOD Set 6.2: A 14 HIS : no HD1:sc= -0.568 K(o=-1,f=1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 158:sc= -0.352 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -140:sc= 1.36 USER MOD Single : A 20 LYS NZ :NH3+ 137:sc= 0.508 (180deg=-0.914) USER MOD Single : A 23 MET CE :methyl -175:sc= 0 (180deg=-0.0413) USER MOD Single : A 25 SER OG : rot 79:sc= 0.872 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0.724 (180deg=0.586) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 99:sc= 0.513 USER MOD Single : A 48 SER OG : rot -44:sc= 0.779 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0448) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 173:sc= -1.5 (180deg=-1.92) USER MOD Single : A 58 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= 0.922 (180deg=0.484) USER MOD Single : A 63 LYS NZ :NH3+ 133:sc= -0.115 (180deg=-1.02) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -79:sc= 1.14 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0.515 (180deg=0.412) USER MOD Single : A 77 SER OG : rot 67:sc= 1.02 USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0.748 (180deg=0.606) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.698 -13.452 -4.316 1.00 0.00 N ATOM 7 CA ASP A 2 1.971 -13.023 -3.746 1.00 0.00 C ATOM 8 C ASP A 2 2.037 -11.500 -3.588 1.00 0.00 C ATOM 9 O ASP A 2 2.006 -10.763 -4.574 1.00 0.00 O ATOM 10 CB ASP A 2 3.125 -13.506 -4.635 1.00 0.00 C ATOM 11 CG ASP A 2 4.475 -12.924 -4.213 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.618 -12.579 -3.018 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.338 -12.814 -5.108 1.00 0.00 O ATOM 0 HA ASP A 2 2.060 -13.464 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.175 -14.594 -4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.922 -13.230 -5.670 1.00 0.00 H new ATOM 14 N GLY A 3 2.173 -11.035 -2.344 1.00 0.00 N ATOM 15 CA GLY A 3 2.295 -9.623 -2.033 1.00 0.00 C ATOM 16 C GLY A 3 3.452 -9.004 -2.815 1.00 0.00 C ATOM 17 O GLY A 3 3.312 -7.928 -3.387 1.00 0.00 O ATOM 0 H GLY A 3 2.201 -11.639 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.366 -9.109 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.459 -9.492 -0.963 1.00 0.00 H new ATOM 18 N ALA A 4 4.591 -9.697 -2.889 1.00 0.00 N ATOM 19 CA ALA A 4 5.738 -9.184 -3.623 1.00 0.00 C ATOM 20 C ALA A 4 5.449 -9.022 -5.114 1.00 0.00 C ATOM 21 O ALA A 4 6.142 -8.253 -5.774 1.00 0.00 O ATOM 22 CB ALA A 4 6.952 -10.090 -3.398 1.00 0.00 C ATOM 0 H ALA A 4 4.738 -10.607 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 4 5.957 -8.188 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.806 -9.698 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.191 -10.120 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.724 -11.097 -3.748 1.00 0.00 H new ATOM 23 N ALA A 5 4.447 -9.720 -5.657 1.00 0.00 N ATOM 24 CA ALA A 5 4.095 -9.588 -7.058 1.00 0.00 C ATOM 25 C ALA A 5 3.094 -8.448 -7.175 1.00 0.00 C ATOM 26 O ALA A 5 3.263 -7.555 -8.002 1.00 0.00 O ATOM 27 CB ALA A 5 3.514 -10.902 -7.588 1.00 0.00 C ATOM 0 H ALA A 5 3.869 -10.382 -5.139 1.00 0.00 H new ATOM 0 HA ALA A 5 4.976 -9.366 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.255 -10.787 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.253 -11.696 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.620 -11.160 -7.020 1.00 0.00 H new ATOM 28 N LEU A 6 2.066 -8.446 -6.320 1.00 0.00 N ATOM 29 CA LEU A 6 1.045 -7.430 -6.339 1.00 0.00 C ATOM 30 C LEU A 6 1.672 -6.046 -6.155 1.00 0.00 C ATOM 31 O LEU A 6 1.333 -5.128 -6.900 1.00 0.00 O ATOM 32 CB LEU A 6 0.035 -7.762 -5.237 1.00 0.00 C ATOM 33 CG LEU A 6 -0.777 -9.044 -5.488 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.437 -9.479 -4.175 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.868 -8.831 -6.543 1.00 0.00 C ATOM 0 H LEU A 6 1.931 -9.156 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 6 0.529 -7.410 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.567 -7.862 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.654 -6.925 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.094 -9.809 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.015 -10.388 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.668 -9.671 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.098 -8.688 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.418 -9.760 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.553 -8.053 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.410 -8.527 -7.484 1.00 0.00 H new ATOM 36 N TYR A 7 2.613 -5.880 -5.212 1.00 0.00 N ATOM 37 CA TYR A 7 3.177 -4.557 -4.989 1.00 0.00 C ATOM 38 C TYR A 7 4.110 -4.041 -6.091 1.00 0.00 C ATOM 39 O TYR A 7 4.475 -2.862 -6.064 1.00 0.00 O ATOM 40 CB TYR A 7 3.885 -4.526 -3.631 1.00 0.00 C ATOM 41 CG TYR A 7 3.773 -3.177 -2.948 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.494 -2.654 -2.699 1.00 0.00 C ATOM 43 CD2 TYR A 7 4.906 -2.455 -2.531 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.346 -1.419 -2.068 1.00 0.00 C ATOM 45 CE2 TYR A 7 4.748 -1.196 -1.916 1.00 0.00 C ATOM 46 CZ TYR A 7 3.466 -0.649 -1.749 1.00 0.00 C ATOM 47 OH TYR A 7 3.306 0.599 -1.233 1.00 0.00 O ATOM 0 H TYR A 7 2.983 -6.621 -4.616 1.00 0.00 H new ATOM 0 HA TYR A 7 2.329 -3.872 -5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.458 -5.293 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.938 -4.774 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.619 -3.212 -2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.894 -2.864 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.358 -1.056 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.615 -0.651 -1.573 1.00 0.00 H new ATOM 0 HH TYR A 7 2.808 0.543 -0.391 1.00 0.00 H new ATOM 48 N LYS A 8 4.499 -4.859 -7.075 1.00 0.00 N ATOM 49 CA LYS A 8 5.416 -4.376 -8.108 1.00 0.00 C ATOM 50 C LYS A 8 4.850 -3.145 -8.834 1.00 0.00 C ATOM 51 O LYS A 8 5.595 -2.213 -9.127 1.00 0.00 O ATOM 52 CB LYS A 8 5.798 -5.511 -9.074 1.00 0.00 C ATOM 53 CG LYS A 8 7.320 -5.717 -9.160 1.00 0.00 C ATOM 54 CD LYS A 8 7.915 -6.562 -8.017 1.00 0.00 C ATOM 55 CE LYS A 8 7.946 -5.870 -6.646 1.00 0.00 C ATOM 56 NZ LYS A 8 8.588 -6.720 -5.628 1.00 0.00 N ATOM 0 H LYS A 8 4.203 -5.830 -7.176 1.00 0.00 H new ATOM 0 HA LYS A 8 6.335 -4.047 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.326 -6.438 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.407 -5.287 -10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.556 -6.196 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.806 -4.742 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.339 -7.483 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.932 -6.846 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.485 -4.926 -6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.929 -5.632 -6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.808 -6.149 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.943 -7.492 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.467 -7.120 -6.014 1.00 0.00 H new ATOM 57 N SER A 9 3.538 -3.092 -9.077 1.00 0.00 N ATOM 58 CA SER A 9 2.919 -1.952 -9.747 1.00 0.00 C ATOM 59 C SER A 9 2.887 -0.688 -8.867 1.00 0.00 C ATOM 60 O SER A 9 2.575 0.391 -9.363 1.00 0.00 O ATOM 61 CB SER A 9 1.501 -2.347 -10.181 1.00 0.00 C ATOM 62 OG SER A 9 1.535 -3.619 -10.802 1.00 0.00 O ATOM 0 H SER A 9 2.884 -3.830 -8.817 1.00 0.00 H new ATOM 0 HA SER A 9 3.525 -1.699 -10.617 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.838 -2.370 -9.316 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.100 -1.604 -10.871 1.00 0.00 H new ATOM 0 HG SER A 9 0.629 -3.873 -11.078 1.00 0.00 H new ATOM 63 N CYS A 10 3.203 -0.808 -7.574 1.00 0.00 N ATOM 64 CA CYS A 10 3.196 0.253 -6.576 1.00 0.00 C ATOM 65 C CYS A 10 4.611 0.775 -6.354 1.00 0.00 C ATOM 66 O CYS A 10 4.820 1.966 -6.103 1.00 0.00 O ATOM 67 CB CYS A 10 2.657 -0.335 -5.272 1.00 0.00 C ATOM 68 SG CYS A 10 1.243 -1.458 -5.462 1.00 0.00 S ATOM 0 H CYS A 10 3.487 -1.704 -7.178 1.00 0.00 H new ATOM 0 HA CYS A 10 2.572 1.081 -6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.463 -0.872 -4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.365 0.484 -4.615 1.00 0.00 H new ATOM 0 HG CYS A 10 1.165 -2.238 -4.425 1.00 0.00 H new ATOM 69 N ILE A 11 5.579 -0.145 -6.459 1.00 0.00 N ATOM 70 CA ILE A 11 7.010 0.092 -6.314 1.00 0.00 C ATOM 71 C ILE A 11 7.441 1.331 -7.114 1.00 0.00 C ATOM 72 O ILE A 11 8.374 2.023 -6.721 1.00 0.00 O ATOM 73 CB ILE A 11 7.758 -1.211 -6.702 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.765 -1.644 -5.626 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.507 -1.103 -8.039 1.00 0.00 C ATOM 76 CD1 ILE A 11 8.101 -2.063 -4.306 1.00 0.00 C ATOM 0 H ILE A 11 5.368 -1.123 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 11 7.270 0.325 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 11 6.971 -1.959 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.358 -2.476 -6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.455 -0.823 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.009 -2.047 -8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.798 -0.881 -8.836 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.247 -0.305 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.868 -2.357 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.531 -1.226 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.432 -2.904 -4.486 1.00 0.00 H new ATOM 77 N GLY A 12 6.766 1.635 -8.227 1.00 0.00 N ATOM 78 CA GLY A 12 7.063 2.811 -9.027 1.00 0.00 C ATOM 79 C GLY A 12 6.945 4.099 -8.200 1.00 0.00 C ATOM 80 O GLY A 12 7.831 4.949 -8.254 1.00 0.00 O ATOM 0 H GLY A 12 6.000 1.069 -8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.071 2.730 -9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.379 2.858 -9.875 1.00 0.00 H new ATOM 81 N CYS A 13 5.861 4.246 -7.427 1.00 0.00 N ATOM 82 CA CYS A 13 5.640 5.434 -6.600 1.00 0.00 C ATOM 83 C CYS A 13 6.381 5.300 -5.276 1.00 0.00 C ATOM 84 O CYS A 13 7.020 6.249 -4.829 1.00 0.00 O ATOM 85 CB CYS A 13 4.143 5.666 -6.317 1.00 0.00 C ATOM 86 SG CYS A 13 3.334 6.892 -7.387 1.00 0.00 S ATOM 0 H CYS A 13 5.119 3.549 -7.359 1.00 0.00 H new ATOM 0 HA CYS A 13 6.022 6.289 -7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.619 4.716 -6.419 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.030 5.982 -5.280 1.00 0.00 H new ATOM 0 HG CYS A 13 2.081 6.998 -7.056 1.00 0.00 H new ATOM 87 N HIS A 14 6.302 4.125 -4.651 1.00 0.00 N ATOM 88 CA HIS A 14 6.896 3.890 -3.339 1.00 0.00 C ATOM 89 C HIS A 14 8.408 3.624 -3.348 1.00 0.00 C ATOM 90 O HIS A 14 9.039 3.679 -2.295 1.00 0.00 O ATOM 91 CB HIS A 14 6.094 2.769 -2.673 1.00 0.00 C ATOM 92 CG HIS A 14 4.758 3.274 -2.203 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.664 4.073 -1.078 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.475 3.175 -2.691 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.377 4.407 -0.936 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.584 3.844 -1.853 1.00 0.00 N ATOM 0 H HIS A 14 5.825 3.312 -5.041 1.00 0.00 H new ATOM 0 HA HIS A 14 6.829 4.810 -2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.951 1.950 -3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.654 2.368 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.198 2.653 -3.595 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.015 5.065 -0.160 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.568 3.892 -1.923 1.00 0.00 H new ATOM 97 N GLY A 15 9.024 3.379 -4.502 1.00 0.00 N ATOM 98 CA GLY A 15 10.453 3.113 -4.590 1.00 0.00 C ATOM 99 C GLY A 15 10.743 1.626 -4.423 1.00 0.00 C ATOM 100 O GLY A 15 9.946 0.900 -3.832 1.00 0.00 O ATOM 0 H GLY A 15 8.544 3.360 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.832 3.455 -5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.980 3.678 -3.821 1.00 0.00 H new ATOM 101 N ALA A 16 11.906 1.200 -4.933 1.00 0.00 N ATOM 102 CA ALA A 16 12.415 -0.170 -4.940 1.00 0.00 C ATOM 103 C ALA A 16 11.995 -0.988 -3.715 1.00 0.00 C ATOM 104 O ALA A 16 11.370 -2.034 -3.867 1.00 0.00 O ATOM 105 CB ALA A 16 13.943 -0.128 -5.052 1.00 0.00 C ATOM 0 H ALA A 16 12.555 1.848 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 16 11.975 -0.676 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.335 -1.145 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.226 0.376 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.355 0.415 -4.201 1.00 0.00 H new ATOM 106 N ASP A 17 12.355 -0.527 -2.514 1.00 0.00 N ATOM 107 CA ASP A 17 12.063 -1.154 -1.246 1.00 0.00 C ATOM 108 C ASP A 17 11.056 -0.330 -0.439 1.00 0.00 C ATOM 109 O ASP A 17 11.134 -0.282 0.781 1.00 0.00 O ATOM 110 CB ASP A 17 13.367 -1.388 -0.466 1.00 0.00 C ATOM 111 CG ASP A 17 14.063 -0.088 -0.075 1.00 0.00 C ATOM 112 OD1 ASP A 17 14.351 0.699 -1.006 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.295 0.110 1.137 1.00 0.00 O ATOM 0 H ASP A 17 12.884 0.338 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 17 11.599 -2.123 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.149 -1.963 0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.045 -1.990 -1.072 1.00 0.00 H new ATOM 114 N GLY A 18 10.110 0.335 -1.107 1.00 0.00 N ATOM 115 CA GLY A 18 9.086 1.150 -0.461 1.00 0.00 C ATOM 116 C GLY A 18 9.671 2.279 0.390 1.00 0.00 C ATOM 117 O GLY A 18 9.062 2.710 1.372 1.00 0.00 O ATOM 0 H GLY A 18 10.035 0.320 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.435 1.577 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.465 0.512 0.168 1.00 0.00 H new ATOM 118 N SER A 19 10.853 2.759 0.005 1.00 0.00 N ATOM 119 CA SER A 19 11.620 3.786 0.681 1.00 0.00 C ATOM 120 C SER A 19 11.311 5.196 0.180 1.00 0.00 C ATOM 121 O SER A 19 11.508 6.157 0.922 1.00 0.00 O ATOM 122 CB SER A 19 13.089 3.448 0.422 1.00 0.00 C ATOM 123 OG SER A 19 13.236 3.096 -0.946 1.00 0.00 O ATOM 0 H SER A 19 11.321 2.418 -0.835 1.00 0.00 H new ATOM 0 HA SER A 19 11.368 3.794 1.741 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.722 4.302 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.407 2.624 1.061 1.00 0.00 H new ATOM 0 HG SER A 19 13.853 2.338 -1.024 1.00 0.00 H new ATOM 124 N LYS A 20 10.865 5.350 -1.070 1.00 0.00 N ATOM 125 CA LYS A 20 10.583 6.667 -1.608 1.00 0.00 C ATOM 126 C LYS A 20 9.318 7.204 -0.956 1.00 0.00 C ATOM 127 O LYS A 20 8.285 6.531 -0.928 1.00 0.00 O ATOM 128 CB LYS A 20 10.414 6.631 -3.137 1.00 0.00 C ATOM 129 CG LYS A 20 10.592 8.038 -3.736 1.00 0.00 C ATOM 130 CD LYS A 20 9.833 8.281 -5.050 1.00 0.00 C ATOM 131 CE LYS A 20 10.249 7.380 -6.219 1.00 0.00 C ATOM 132 NZ LYS A 20 9.650 6.039 -6.121 1.00 0.00 N ATOM 0 H LYS A 20 10.695 4.580 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 20 11.427 7.321 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.144 5.949 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.427 6.245 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.264 8.774 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.654 8.212 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.767 8.143 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.973 9.321 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.949 7.843 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.335 7.291 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.307 5.743 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.365 5.363 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.854 6.062 -5.452 1.00 0.00 H new ATOM 133 N ALA A 21 9.399 8.427 -0.433 1.00 0.00 N ATOM 134 CA ALA A 21 8.251 9.084 0.157 1.00 0.00 C ATOM 135 C ALA A 21 7.352 9.484 -1.010 1.00 0.00 C ATOM 136 O ALA A 21 7.443 10.593 -1.527 1.00 0.00 O ATOM 137 CB ALA A 21 8.702 10.276 1.007 1.00 0.00 C ATOM 0 H ALA A 21 10.256 8.979 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 21 7.701 8.436 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.830 10.761 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.361 9.927 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.237 10.989 0.379 1.00 0.00 H new ATOM 138 N ALA A 22 6.522 8.537 -1.449 1.00 0.00 N ATOM 139 CA ALA A 22 5.651 8.664 -2.602 1.00 0.00 C ATOM 140 C ALA A 22 4.955 10.019 -2.719 1.00 0.00 C ATOM 141 O ALA A 22 4.323 10.461 -1.764 1.00 0.00 O ATOM 142 CB ALA A 22 4.636 7.522 -2.610 1.00 0.00 C ATOM 0 H ALA A 22 6.440 7.630 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 22 6.292 8.600 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.984 7.621 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.162 6.568 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.038 7.561 -1.700 1.00 0.00 H new ATOM 143 N MET A 23 5.079 10.616 -3.915 1.00 0.00 N ATOM 144 CA MET A 23 4.553 11.881 -4.425 1.00 0.00 C ATOM 145 C MET A 23 4.190 12.922 -3.362 1.00 0.00 C ATOM 146 O MET A 23 4.904 13.907 -3.201 1.00 0.00 O ATOM 147 CB MET A 23 3.353 11.580 -5.337 1.00 0.00 C ATOM 148 CG MET A 23 3.724 10.677 -6.524 1.00 0.00 C ATOM 149 SD MET A 23 5.073 11.227 -7.604 1.00 0.00 S ATOM 150 CE MET A 23 4.428 12.821 -8.157 1.00 0.00 C ATOM 0 H MET A 23 5.627 10.154 -4.641 1.00 0.00 H new ATOM 0 HA MET A 23 5.365 12.352 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.568 11.100 -4.752 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.943 12.517 -5.713 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.987 9.695 -6.130 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.833 10.546 -7.138 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.102 13.248 -8.900 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.442 12.681 -8.600 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.350 13.497 -7.306 1.00 0.00 H new ATOM 151 N GLY A 24 3.051 12.749 -2.684 1.00 0.00 N ATOM 152 CA GLY A 24 2.599 13.662 -1.643 1.00 0.00 C ATOM 153 C GLY A 24 3.668 13.874 -0.572 1.00 0.00 C ATOM 154 O GLY A 24 3.791 14.969 -0.028 1.00 0.00 O ATOM 0 H GLY A 24 2.418 11.966 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.336 14.621 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.694 13.267 -1.181 1.00 0.00 H new ATOM 155 N SER A 25 4.424 12.804 -0.307 1.00 0.00 N ATOM 156 CA SER A 25 5.529 12.596 0.618 1.00 0.00 C ATOM 157 C SER A 25 5.116 11.482 1.578 1.00 0.00 C ATOM 158 O SER A 25 5.092 11.711 2.786 1.00 0.00 O ATOM 159 CB SER A 25 5.947 13.859 1.391 1.00 0.00 C ATOM 160 OG SER A 25 6.400 14.866 0.508 1.00 0.00 O ATOM 0 H SER A 25 4.241 11.940 -0.817 1.00 0.00 H new ATOM 0 HA SER A 25 6.412 12.323 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.102 14.231 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.736 13.611 2.101 1.00 0.00 H new ATOM 0 HG SER A 25 5.630 15.317 0.103 1.00 0.00 H new ATOM 161 N ALA A 26 4.774 10.282 1.077 1.00 0.00 N ATOM 162 CA ALA A 26 4.375 9.221 1.980 1.00 0.00 C ATOM 163 C ALA A 26 5.437 8.922 3.032 1.00 0.00 C ATOM 164 O ALA A 26 6.619 8.876 2.707 1.00 0.00 O ATOM 165 CB ALA A 26 4.152 7.938 1.177 1.00 0.00 C ATOM 0 H ALA A 26 4.769 10.040 0.086 1.00 0.00 H new ATOM 0 HA ALA A 26 3.467 9.554 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.851 7.135 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.369 8.103 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.077 7.660 0.671 1.00 0.00 H new ATOM 166 N LYS A 27 5.054 8.729 4.297 1.00 0.00 N ATOM 167 CA LYS A 27 6.035 8.272 5.269 1.00 0.00 C ATOM 168 C LYS A 27 6.518 6.926 4.684 1.00 0.00 C ATOM 169 O LYS A 27 5.693 6.209 4.114 1.00 0.00 O ATOM 170 CB LYS A 27 5.418 8.187 6.675 1.00 0.00 C ATOM 171 CG LYS A 27 3.968 7.683 6.755 1.00 0.00 C ATOM 172 CD LYS A 27 3.589 7.425 8.220 1.00 0.00 C ATOM 173 CE LYS A 27 2.099 7.092 8.383 1.00 0.00 C ATOM 174 NZ LYS A 27 1.746 5.796 7.779 1.00 0.00 N ATOM 0 H LYS A 27 4.111 8.876 4.657 1.00 0.00 H new ATOM 0 HA LYS A 27 6.877 8.948 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.042 7.532 7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.461 9.178 7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.293 8.419 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.859 6.767 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.188 6.602 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.830 8.305 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.846 7.077 9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.501 7.879 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.731 5.615 7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.961 5.817 6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.296 5.040 8.234 1.00 0.00 H new ATOM 175 N PRO A 28 7.819 6.599 4.726 1.00 0.00 N ATOM 176 CA PRO A 28 8.358 5.403 4.089 1.00 0.00 C ATOM 177 C PRO A 28 7.539 4.142 4.364 1.00 0.00 C ATOM 178 O PRO A 28 7.562 3.612 5.470 1.00 0.00 O ATOM 179 CB PRO A 28 9.808 5.280 4.562 1.00 0.00 C ATOM 180 CG PRO A 28 9.889 6.195 5.786 1.00 0.00 C ATOM 181 CD PRO A 28 8.848 7.275 5.493 1.00 0.00 C ATOM 0 HA PRO A 28 8.309 5.503 3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.056 4.250 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.507 5.592 3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.661 5.656 6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.886 6.620 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.443 7.695 6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.283 8.101 4.930 1.00 0.00 H new ATOM 182 N VAL A 29 6.849 3.651 3.325 1.00 0.00 N ATOM 183 CA VAL A 29 6.021 2.450 3.390 1.00 0.00 C ATOM 184 C VAL A 29 6.881 1.272 3.894 1.00 0.00 C ATOM 185 O VAL A 29 6.335 0.316 4.445 1.00 0.00 O ATOM 186 CB VAL A 29 5.343 2.192 2.021 1.00 0.00 C ATOM 187 CG1 VAL A 29 5.179 0.708 1.695 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.917 2.768 1.984 1.00 0.00 C ATOM 0 H VAL A 29 6.854 4.088 2.403 1.00 0.00 H new ATOM 0 HA VAL A 29 5.207 2.577 4.103 1.00 0.00 H new ATOM 0 HB VAL A 29 6.007 2.671 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.698 0.600 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.159 0.231 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.564 0.233 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.470 2.570 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.315 2.299 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.955 3.844 2.154 1.00 0.00 H new ATOM 189 N LYS A 30 8.206 1.313 3.677 1.00 0.00 N ATOM 190 CA LYS A 30 9.188 0.336 4.129 1.00 0.00 C ATOM 191 C LYS A 30 9.043 0.014 5.611 1.00 0.00 C ATOM 192 O LYS A 30 9.690 0.575 6.493 1.00 0.00 O ATOM 193 CB LYS A 30 10.590 0.861 3.853 1.00 0.00 C ATOM 194 CG LYS A 30 11.750 -0.068 4.260 1.00 0.00 C ATOM 195 CD LYS A 30 11.529 -1.536 3.866 1.00 0.00 C ATOM 196 CE LYS A 30 12.809 -2.357 4.047 1.00 0.00 C ATOM 197 NZ LYS A 30 12.581 -3.789 3.777 1.00 0.00 N ATOM 0 H LYS A 30 8.636 2.074 3.152 1.00 0.00 H new ATOM 0 HA LYS A 30 9.014 -0.587 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.675 1.070 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.711 1.810 4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.670 0.289 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.892 -0.007 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.731 -1.962 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.202 -1.591 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.582 -1.979 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.180 -2.233 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.395 -4.340 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.720 -4.102 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.467 -3.935 2.754 1.00 0.00 H new ATOM 198 N GLY A 31 8.192 -0.966 5.836 1.00 0.00 N ATOM 199 CA GLY A 31 7.868 -1.492 7.141 1.00 0.00 C ATOM 200 C GLY A 31 6.936 -0.544 7.878 1.00 0.00 C ATOM 201 O GLY A 31 7.123 -0.308 9.069 1.00 0.00 O ATOM 0 H GLY A 31 7.689 -1.435 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.397 -2.470 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.781 -1.637 7.719 1.00 0.00 H new ATOM 202 N GLN A 32 5.918 -0.018 7.179 1.00 0.00 N ATOM 203 CA GLN A 32 4.938 0.882 7.791 1.00 0.00 C ATOM 204 C GLN A 32 4.347 0.173 9.037 1.00 0.00 C ATOM 205 O GLN A 32 4.037 0.796 10.048 1.00 0.00 O ATOM 206 CB GLN A 32 3.863 1.305 6.763 1.00 0.00 C ATOM 207 CG GLN A 32 3.242 2.717 6.893 1.00 0.00 C ATOM 208 CD GLN A 32 4.138 3.828 6.334 1.00 0.00 C ATOM 209 OE1 GLN A 32 5.166 4.118 6.930 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.799 4.482 5.215 1.00 0.00 N ATOM 0 H GLN A 32 5.755 -0.203 6.189 1.00 0.00 H new ATOM 0 HA GLN A 32 5.411 1.809 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.303 1.225 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.052 0.579 6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.285 2.735 6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.036 2.920 7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.941 4.237 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.399 5.225 4.857 1.00 0.00 H new ATOM 211 N GLY A 33 4.203 -1.154 8.926 1.00 0.00 N ATOM 212 CA GLY A 33 3.752 -2.145 9.888 1.00 0.00 C ATOM 213 C GLY A 33 3.409 -3.373 9.040 1.00 0.00 C ATOM 214 O GLY A 33 4.208 -3.774 8.199 1.00 0.00 O ATOM 0 H GLY A 33 4.432 -1.606 8.041 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.529 -2.371 10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.884 -1.792 10.445 1.00 0.00 H new ATOM 215 N ALA A 34 2.217 -3.933 9.227 1.00 0.00 N ATOM 216 CA ALA A 34 1.614 -5.022 8.453 1.00 0.00 C ATOM 217 C ALA A 34 0.129 -4.806 8.688 1.00 0.00 C ATOM 218 O ALA A 34 -0.614 -4.455 7.775 1.00 0.00 O ATOM 219 CB ALA A 34 2.081 -6.423 8.859 1.00 0.00 C ATOM 0 H ALA A 34 1.601 -3.617 9.976 1.00 0.00 H new ATOM 0 HA ALA A 34 1.904 -4.989 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.585 -7.167 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.160 -6.500 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.831 -6.601 9.905 1.00 0.00 H new ATOM 220 N GLU A 35 -0.267 -4.901 9.963 1.00 0.00 N ATOM 221 CA GLU A 35 -1.622 -4.594 10.386 1.00 0.00 C ATOM 222 C GLU A 35 -1.907 -3.150 9.943 1.00 0.00 C ATOM 223 O GLU A 35 -3.013 -2.848 9.514 1.00 0.00 O ATOM 224 CB GLU A 35 -1.732 -4.787 11.908 1.00 0.00 C ATOM 225 CG GLU A 35 -3.177 -4.748 12.435 1.00 0.00 C ATOM 226 CD GLU A 35 -3.802 -3.354 12.474 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.040 -2.384 12.681 1.00 0.00 O ATOM 228 OE2 GLU A 35 -5.041 -3.289 12.323 1.00 0.00 O ATOM 0 H GLU A 35 0.348 -5.193 10.723 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.363 -5.255 9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.282 -5.743 12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.152 -4.010 12.406 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.795 -5.392 11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.195 -5.168 13.441 1.00 0.00 H new ATOM 229 N GLU A 36 -0.878 -2.288 10.002 1.00 0.00 N ATOM 230 CA GLU A 36 -0.921 -0.900 9.591 1.00 0.00 C ATOM 231 C GLU A 36 -1.415 -0.854 8.153 1.00 0.00 C ATOM 232 O GLU A 36 -2.562 -0.507 7.887 1.00 0.00 O ATOM 233 CB GLU A 36 0.503 -0.300 9.712 1.00 0.00 C ATOM 234 CG GLU A 36 0.643 1.147 9.206 1.00 0.00 C ATOM 235 CD GLU A 36 -0.118 2.193 10.017 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.721 1.818 11.045 1.00 0.00 O ATOM 237 OE2 GLU A 36 -0.067 3.366 9.589 1.00 0.00 O ATOM 0 H GLU A 36 0.039 -2.564 10.354 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.593 -0.317 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.808 -0.335 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.196 -0.932 9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.700 1.413 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.298 1.189 8.173 1.00 0.00 H new ATOM 238 N LEU A 37 -0.548 -1.252 7.223 1.00 0.00 N ATOM 239 CA LEU A 37 -0.847 -1.223 5.811 1.00 0.00 C ATOM 240 C LEU A 37 -2.160 -1.918 5.487 1.00 0.00 C ATOM 241 O LEU A 37 -2.899 -1.447 4.633 1.00 0.00 O ATOM 242 CB LEU A 37 0.296 -1.835 5.003 1.00 0.00 C ATOM 243 CG LEU A 37 1.667 -1.262 5.384 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.519 -2.353 6.021 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.425 -0.663 4.201 1.00 0.00 C ATOM 0 H LEU A 37 0.384 -1.604 7.440 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.957 -0.176 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.304 -2.915 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.118 -1.663 3.942 1.00 0.00 H new ATOM 0 HG LEU A 37 1.479 -0.451 6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.492 -1.943 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.022 -2.727 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.653 -3.170 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.385 -0.277 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.591 -1.433 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.841 0.149 3.768 1.00 0.00 H new ATOM 246 N TYR A 38 -2.465 -3.027 6.157 1.00 0.00 N ATOM 247 CA TYR A 38 -3.697 -3.746 5.917 1.00 0.00 C ATOM 248 C TYR A 38 -4.900 -2.923 6.348 1.00 0.00 C ATOM 249 O TYR A 38 -5.906 -2.889 5.648 1.00 0.00 O ATOM 250 CB TYR A 38 -3.644 -5.040 6.707 1.00 0.00 C ATOM 251 CG TYR A 38 -4.887 -5.901 6.607 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.309 -6.431 5.371 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.671 -6.103 7.755 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.453 -7.249 5.309 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.814 -6.913 7.692 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.183 -7.517 6.482 1.00 0.00 C ATOM 257 OH TYR A 38 -8.279 -8.325 6.473 1.00 0.00 O ATOM 0 H TYR A 38 -1.868 -3.442 6.872 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.802 -3.950 4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.788 -5.622 6.365 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.469 -4.801 7.756 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.754 -6.209 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.393 -5.634 8.687 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.769 -7.669 4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.411 -7.072 8.578 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.198 -8.978 5.747 1.00 0.00 H new ATOM 258 N LYS A 39 -4.802 -2.264 7.500 1.00 0.00 N ATOM 259 CA LYS A 39 -5.890 -1.456 8.023 1.00 0.00 C ATOM 260 C LYS A 39 -6.077 -0.249 7.112 1.00 0.00 C ATOM 261 O LYS A 39 -7.200 0.128 6.774 1.00 0.00 O ATOM 262 CB LYS A 39 -5.562 -1.040 9.463 1.00 0.00 C ATOM 263 CG LYS A 39 -6.694 -0.247 10.127 1.00 0.00 C ATOM 264 CD LYS A 39 -6.298 0.078 11.572 1.00 0.00 C ATOM 265 CE LYS A 39 -7.400 0.879 12.272 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.029 1.189 13.663 1.00 0.00 N ATOM 0 H LYS A 39 -3.970 -2.277 8.090 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.823 -2.019 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.354 -1.931 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.654 -0.437 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.884 0.672 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.618 -0.825 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.111 -0.846 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.368 0.647 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.583 1.805 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.331 0.312 12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.793 1.732 14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.878 0.304 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.154 1.751 13.672 1.00 0.00 H new ATOM 267 N LYS A 40 -4.963 0.346 6.688 1.00 0.00 N ATOM 268 CA LYS A 40 -4.988 1.504 5.840 1.00 0.00 C ATOM 269 C LYS A 40 -5.575 1.129 4.480 1.00 0.00 C ATOM 270 O LYS A 40 -6.425 1.846 3.955 1.00 0.00 O ATOM 271 CB LYS A 40 -3.562 2.035 5.759 1.00 0.00 C ATOM 272 CG LYS A 40 -2.994 2.616 7.069 1.00 0.00 C ATOM 273 CD LYS A 40 -4.001 3.400 7.923 1.00 0.00 C ATOM 274 CE LYS A 40 -3.327 4.091 9.116 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.321 5.087 8.701 1.00 0.00 N ATOM 0 H LYS A 40 -4.025 0.028 6.931 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.627 2.294 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.910 1.226 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.524 2.809 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.593 1.798 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.159 3.272 6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.497 4.147 7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.774 2.722 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.087 4.580 9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.850 3.339 9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.169 5.769 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.425 4.606 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.658 5.589 7.855 1.00 0.00 H new ATOM 276 N MET A 41 -5.149 -0.003 3.915 1.00 0.00 N ATOM 277 CA MET A 41 -5.676 -0.474 2.649 1.00 0.00 C ATOM 278 C MET A 41 -7.132 -0.870 2.816 1.00 0.00 C ATOM 279 O MET A 41 -7.899 -0.648 1.896 1.00 0.00 O ATOM 280 CB MET A 41 -4.874 -1.647 2.103 1.00 0.00 C ATOM 281 CG MET A 41 -3.603 -1.136 1.425 1.00 0.00 C ATOM 282 SD MET A 41 -2.672 -2.382 0.505 1.00 0.00 S ATOM 283 CE MET A 41 -2.211 -3.464 1.870 1.00 0.00 C ATOM 0 H MET A 41 -4.436 -0.608 4.323 1.00 0.00 H new ATOM 0 HA MET A 41 -5.597 0.341 1.929 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.616 -2.330 2.912 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.476 -2.210 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.872 -0.329 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.951 -0.706 2.186 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.394 -4.115 1.559 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.891 -2.861 2.720 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.069 -4.072 2.158 1.00 0.00 H new ATOM 284 N LYS A 42 -7.536 -1.470 3.939 1.00 0.00 N ATOM 285 CA LYS A 42 -8.940 -1.796 4.154 1.00 0.00 C ATOM 286 C LYS A 42 -9.717 -0.478 4.069 1.00 0.00 C ATOM 287 O LYS A 42 -10.761 -0.405 3.426 1.00 0.00 O ATOM 288 CB LYS A 42 -9.113 -2.512 5.502 1.00 0.00 C ATOM 289 CG LYS A 42 -10.545 -3.025 5.704 1.00 0.00 C ATOM 290 CD LYS A 42 -10.739 -3.655 7.092 1.00 0.00 C ATOM 291 CE LYS A 42 -9.877 -4.901 7.347 1.00 0.00 C ATOM 292 NZ LYS A 42 -10.158 -5.977 6.380 1.00 0.00 N ATOM 0 H LYS A 42 -6.915 -1.736 4.703 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.323 -2.485 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.417 -3.349 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.856 -1.828 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.247 -2.200 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.778 -3.762 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.511 -2.908 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.789 -3.923 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.823 -4.630 7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.058 -5.266 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.497 -6.765 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.134 -6.313 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.042 -5.613 5.413 1.00 0.00 H new ATOM 293 N GLY A 43 -9.171 0.573 4.688 1.00 0.00 N ATOM 294 CA GLY A 43 -9.749 1.901 4.638 1.00 0.00 C ATOM 295 C GLY A 43 -9.840 2.386 3.188 1.00 0.00 C ATOM 296 O GLY A 43 -10.921 2.723 2.720 1.00 0.00 O ATOM 0 H GLY A 43 -8.313 0.517 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.742 1.890 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.141 2.592 5.222 1.00 0.00 H new ATOM 297 N TYR A 44 -8.728 2.424 2.450 1.00 0.00 N ATOM 298 CA TYR A 44 -8.731 2.880 1.063 1.00 0.00 C ATOM 299 C TYR A 44 -9.612 1.998 0.165 1.00 0.00 C ATOM 300 O TYR A 44 -10.204 2.502 -0.781 1.00 0.00 O ATOM 301 CB TYR A 44 -7.297 2.895 0.517 1.00 0.00 C ATOM 302 CG TYR A 44 -6.346 3.946 1.067 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.709 5.308 1.084 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.014 3.585 1.349 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.774 6.282 1.475 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.072 4.567 1.696 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.455 5.912 1.780 1.00 0.00 C ATOM 308 OH TYR A 44 -3.551 6.829 2.217 1.00 0.00 O ATOM 0 H TYR A 44 -7.810 2.142 2.795 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.148 3.887 1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.857 1.915 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.350 3.023 -0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.707 5.604 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.716 2.548 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.071 7.318 1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.049 4.285 1.899 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.482 6.781 3.193 1.00 0.00 H new ATOM 309 N ALA A 45 -9.698 0.693 0.439 1.00 0.00 N ATOM 310 CA ALA A 45 -10.472 -0.273 -0.334 1.00 0.00 C ATOM 311 C ALA A 45 -11.900 0.246 -0.510 1.00 0.00 C ATOM 312 O ALA A 45 -12.404 0.301 -1.629 1.00 0.00 O ATOM 313 CB ALA A 45 -10.493 -1.644 0.350 1.00 0.00 C ATOM 0 H ALA A 45 -9.214 0.270 1.231 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.000 -0.394 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.077 -2.341 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.474 -2.017 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.943 -1.551 1.338 1.00 0.00 H new ATOM 314 N ASP A 46 -12.557 0.610 0.599 1.00 0.00 N ATOM 315 CA ASP A 46 -13.915 1.145 0.551 1.00 0.00 C ATOM 316 C ASP A 46 -13.867 2.657 0.291 1.00 0.00 C ATOM 317 O ASP A 46 -14.675 3.176 -0.477 1.00 0.00 O ATOM 318 CB ASP A 46 -14.684 0.801 1.838 1.00 0.00 C ATOM 319 CG ASP A 46 -14.437 1.784 2.976 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.369 1.669 3.612 1.00 0.00 O ATOM 321 OD2 ASP A 46 -15.311 2.653 3.174 1.00 0.00 O ATOM 0 H ASP A 46 -12.166 0.542 1.539 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.457 0.680 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.751 0.774 1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.400 -0.199 2.165 1.00 0.00 H new ATOM 322 N GLY A 47 -12.910 3.345 0.923 1.00 0.00 N ATOM 323 CA GLY A 47 -12.678 4.782 0.831 1.00 0.00 C ATOM 324 C GLY A 47 -12.820 5.483 2.188 1.00 0.00 C ATOM 325 O GLY A 47 -13.103 6.677 2.231 1.00 0.00 O ATOM 0 H GLY A 47 -12.244 2.886 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.679 4.962 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.384 5.217 0.124 1.00 0.00 H new ATOM 326 N SER A 48 -12.595 4.771 3.299 1.00 0.00 N ATOM 327 CA SER A 48 -12.696 5.291 4.658 1.00 0.00 C ATOM 328 C SER A 48 -11.313 5.633 5.234 1.00 0.00 C ATOM 329 O SER A 48 -11.079 5.439 6.427 1.00 0.00 O ATOM 330 CB SER A 48 -13.430 4.257 5.526 1.00 0.00 C ATOM 331 OG SER A 48 -13.642 4.755 6.833 1.00 0.00 O ATOM 0 H SER A 48 -12.330 3.787 3.270 1.00 0.00 H new ATOM 0 HA SER A 48 -13.263 6.222 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.387 4.006 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.848 3.337 5.573 1.00 0.00 H new ATOM 0 HG SER A 48 -12.824 5.187 7.155 1.00 0.00 H new ATOM 332 N TYR A 49 -10.389 6.125 4.407 1.00 0.00 N ATOM 333 CA TYR A 49 -9.054 6.547 4.816 1.00 0.00 C ATOM 334 C TYR A 49 -8.542 7.503 3.742 1.00 0.00 C ATOM 335 O TYR A 49 -9.063 7.494 2.627 1.00 0.00 O ATOM 336 CB TYR A 49 -8.124 5.342 5.025 1.00 0.00 C ATOM 337 CG TYR A 49 -6.716 5.692 5.484 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.521 6.540 6.591 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.598 5.209 4.780 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.232 7.006 6.903 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.304 5.653 5.112 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.125 6.586 6.147 1.00 0.00 C ATOM 343 OH TYR A 49 -2.875 6.954 6.545 1.00 0.00 O ATOM 0 H TYR A 49 -10.556 6.243 3.408 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.083 7.055 5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.575 4.676 5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.058 4.786 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.363 6.833 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.733 4.495 3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.092 7.690 7.727 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.449 5.276 4.571 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.212 6.587 5.923 1.00 0.00 H new ATOM 372 N LYS A 54 -4.699 9.795 -1.725 1.00 0.00 N ATOM 373 CA LYS A 54 -5.757 8.910 -1.307 1.00 0.00 C ATOM 374 C LYS A 54 -6.597 8.360 -2.465 1.00 0.00 C ATOM 375 O LYS A 54 -7.025 7.211 -2.424 1.00 0.00 O ATOM 376 CB LYS A 54 -6.665 9.719 -0.389 1.00 0.00 C ATOM 377 CG LYS A 54 -7.302 10.992 -0.971 1.00 0.00 C ATOM 378 CD LYS A 54 -8.071 11.738 0.128 1.00 0.00 C ATOM 379 CE LYS A 54 -8.647 13.065 -0.381 1.00 0.00 C ATOM 380 NZ LYS A 54 -9.640 12.866 -1.452 1.00 0.00 N ATOM 0 HA LYS A 54 -5.306 8.045 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.468 9.066 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.088 10.002 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.530 11.637 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.976 10.732 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.880 11.108 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.407 11.929 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.111 13.599 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.837 13.693 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.076 13.778 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.170 12.472 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.375 12.207 -1.126 1.00 0.00 H new ATOM 381 N ALA A 55 -6.881 9.195 -3.471 1.00 0.00 N ATOM 382 CA ALA A 55 -7.694 8.821 -4.621 1.00 0.00 C ATOM 383 C ALA A 55 -6.979 7.763 -5.456 1.00 0.00 C ATOM 384 O ALA A 55 -7.558 6.728 -5.787 1.00 0.00 O ATOM 385 CB ALA A 55 -7.993 10.069 -5.457 1.00 0.00 C ATOM 0 H ALA A 55 -6.547 10.158 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.635 8.393 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.601 9.793 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.534 10.794 -4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.057 10.510 -5.800 1.00 0.00 H new ATOM 386 N MET A 56 -5.715 8.033 -5.792 1.00 0.00 N ATOM 387 CA MET A 56 -4.890 7.116 -6.562 1.00 0.00 C ATOM 388 C MET A 56 -4.797 5.815 -5.771 1.00 0.00 C ATOM 389 O MET A 56 -4.963 4.729 -6.322 1.00 0.00 O ATOM 390 CB MET A 56 -3.495 7.708 -6.816 1.00 0.00 C ATOM 391 CG MET A 56 -3.526 9.011 -7.628 1.00 0.00 C ATOM 392 SD MET A 56 -3.844 10.532 -6.692 1.00 0.00 S ATOM 393 CE MET A 56 -4.088 11.693 -8.052 1.00 0.00 C ATOM 0 H MET A 56 -5.239 8.898 -5.534 1.00 0.00 H new ATOM 0 HA MET A 56 -5.335 6.935 -7.540 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.008 7.896 -5.859 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.887 6.973 -7.344 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.570 9.118 -8.140 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.292 8.916 -8.398 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.296 12.685 -7.651 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.187 11.730 -8.664 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.929 11.366 -8.663 1.00 0.00 H new ATOM 394 N MET A 57 -4.572 5.949 -4.462 1.00 0.00 N ATOM 395 CA MET A 57 -4.484 4.826 -3.555 1.00 0.00 C ATOM 396 C MET A 57 -5.765 3.995 -3.649 1.00 0.00 C ATOM 397 O MET A 57 -5.720 2.844 -4.067 1.00 0.00 O ATOM 398 CB MET A 57 -4.188 5.367 -2.144 1.00 0.00 C ATOM 399 CG MET A 57 -2.672 5.448 -1.903 1.00 0.00 C ATOM 400 SD MET A 57 -1.777 3.902 -2.212 1.00 0.00 S ATOM 401 CE MET A 57 -2.735 2.730 -1.226 1.00 0.00 C ATOM 0 H MET A 57 -4.446 6.853 -4.007 1.00 0.00 H new ATOM 0 HA MET A 57 -3.669 4.151 -3.818 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.634 6.355 -2.026 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.646 4.719 -1.397 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.257 6.227 -2.542 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.497 5.754 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.378 1.718 -1.416 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.617 2.963 -0.168 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.788 2.801 -1.498 1.00 0.00 H new ATOM 402 N THR A 58 -6.909 4.576 -3.298 1.00 0.00 N ATOM 403 CA THR A 58 -8.225 3.960 -3.372 1.00 0.00 C ATOM 404 C THR A 58 -8.381 3.240 -4.709 1.00 0.00 C ATOM 405 O THR A 58 -8.716 2.062 -4.732 1.00 0.00 O ATOM 406 CB THR A 58 -9.293 5.054 -3.190 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.177 5.596 -1.889 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.722 4.536 -3.388 1.00 0.00 C ATOM 0 H THR A 58 -6.943 5.530 -2.939 1.00 0.00 H new ATOM 0 HA THR A 58 -8.347 3.219 -2.582 1.00 0.00 H new ATOM 0 HB THR A 58 -9.115 5.810 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.449 6.252 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.428 5.354 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.827 4.136 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.928 3.749 -2.662 1.00 0.00 H new ATOM 409 N ASN A 59 -8.105 3.920 -5.823 1.00 0.00 N ATOM 410 CA ASN A 59 -8.223 3.308 -7.142 1.00 0.00 C ATOM 411 C ASN A 59 -7.320 2.073 -7.274 1.00 0.00 C ATOM 412 O ASN A 59 -7.758 1.034 -7.765 1.00 0.00 O ATOM 413 CB ASN A 59 -7.874 4.338 -8.220 1.00 0.00 C ATOM 414 CG ASN A 59 -7.895 3.706 -9.609 1.00 0.00 C ATOM 415 OD1 ASN A 59 -6.852 3.473 -10.208 1.00 0.00 O ATOM 416 ND2 ASN A 59 -9.081 3.422 -10.136 1.00 0.00 N ATOM 0 H ASN A 59 -7.799 4.893 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.253 2.977 -7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.584 5.164 -8.182 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.887 4.756 -8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.139 2.999 -11.062 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.933 3.627 -9.614 1.00 0.00 H new ATOM 417 N ALA A 60 -6.067 2.177 -6.828 1.00 0.00 N ATOM 418 CA ALA A 60 -5.094 1.099 -6.924 1.00 0.00 C ATOM 419 C ALA A 60 -5.392 -0.056 -5.958 1.00 0.00 C ATOM 420 O ALA A 60 -5.008 -1.192 -6.218 1.00 0.00 O ATOM 421 CB ALA A 60 -3.709 1.692 -6.647 1.00 0.00 C ATOM 0 H ALA A 60 -5.701 3.021 -6.387 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.141 0.670 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.957 0.906 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.490 2.465 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.693 2.128 -5.648 1.00 0.00 H new ATOM 422 N VAL A 61 -6.070 0.228 -4.847 1.00 0.00 N ATOM 423 CA VAL A 61 -6.398 -0.718 -3.787 1.00 0.00 C ATOM 424 C VAL A 61 -7.729 -1.434 -4.012 1.00 0.00 C ATOM 425 O VAL A 61 -7.789 -2.657 -3.907 1.00 0.00 O ATOM 426 CB VAL A 61 -6.395 0.085 -2.473 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.930 -0.665 -1.259 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.973 0.515 -2.104 1.00 0.00 C ATOM 0 H VAL A 61 -6.420 1.166 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.661 -1.521 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.056 0.926 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.887 -0.017 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.963 -0.962 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.323 -1.553 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.994 1.081 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.347 -0.368 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.564 1.139 -2.898 1.00 0.00 H new ATOM 429 N LYS A 62 -8.794 -0.688 -4.311 1.00 0.00 N ATOM 430 CA LYS A 62 -10.151 -1.191 -4.506 1.00 0.00 C ATOM 431 C LYS A 62 -10.215 -2.380 -5.471 1.00 0.00 C ATOM 432 O LYS A 62 -11.106 -3.217 -5.356 1.00 0.00 O ATOM 433 CB LYS A 62 -11.032 -0.025 -4.979 1.00 0.00 C ATOM 434 CG LYS A 62 -12.529 -0.341 -4.898 1.00 0.00 C ATOM 435 CD LYS A 62 -13.350 0.916 -5.226 1.00 0.00 C ATOM 436 CE LYS A 62 -14.749 0.848 -4.604 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.707 1.112 -3.152 1.00 0.00 N ATOM 0 H LYS A 62 -8.730 0.323 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.522 -1.578 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.818 0.855 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.773 0.226 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.779 -1.141 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.780 -0.699 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.829 1.799 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.436 1.025 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.400 1.576 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.181 -0.136 -4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.478 0.595 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.794 0.795 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.820 2.132 -2.981 1.00 0.00 H new ATOM 438 N LYS A 63 -9.289 -2.457 -6.429 1.00 0.00 N ATOM 439 CA LYS A 63 -9.248 -3.550 -7.388 1.00 0.00 C ATOM 440 C LYS A 63 -8.925 -4.898 -6.723 1.00 0.00 C ATOM 441 O LYS A 63 -9.263 -5.939 -7.281 1.00 0.00 O ATOM 442 CB LYS A 63 -8.224 -3.216 -8.483 1.00 0.00 C ATOM 443 CG LYS A 63 -6.772 -3.287 -7.987 1.00 0.00 C ATOM 444 CD LYS A 63 -5.778 -2.540 -8.888 1.00 0.00 C ATOM 445 CE LYS A 63 -5.672 -3.104 -10.311 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.744 -2.608 -11.191 1.00 0.00 N ATOM 0 H LYS A 63 -8.552 -1.764 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.238 -3.657 -7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.352 -3.907 -9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.423 -2.215 -8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.720 -2.872 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.471 -4.332 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.074 -1.492 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.792 -2.568 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.704 -2.836 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.712 -4.193 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.335 -2.294 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.429 -3.371 -11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.227 -1.809 -10.733 1.00 0.00 H new ATOM 447 N TYR A 64 -8.242 -4.904 -5.571 1.00 0.00 N ATOM 448 CA TYR A 64 -7.860 -6.098 -4.871 1.00 0.00 C ATOM 449 C TYR A 64 -8.950 -6.534 -3.901 1.00 0.00 C ATOM 450 O TYR A 64 -9.871 -5.806 -3.542 1.00 0.00 O ATOM 451 CB TYR A 64 -6.564 -5.817 -4.104 1.00 0.00 C ATOM 452 CG TYR A 64 -5.388 -5.385 -4.955 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.012 -6.122 -6.095 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.624 -4.273 -4.563 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.896 -5.729 -6.852 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.495 -3.899 -5.304 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.127 -4.626 -6.448 1.00 0.00 C ATOM 458 OH TYR A 64 -1.999 -4.291 -7.134 1.00 0.00 O ATOM 0 H TYR A 64 -7.941 -4.049 -5.104 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.710 -6.904 -5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.760 -5.041 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.284 -6.716 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.583 -6.991 -6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.907 -3.705 -3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.629 -6.275 -7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.906 -3.049 -4.994 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.588 -3.503 -6.722 1.00 0.00 H new ATOM 459 N SER A 65 -8.768 -7.772 -3.478 1.00 0.00 N ATOM 460 CA SER A 65 -9.572 -8.525 -2.534 1.00 0.00 C ATOM 461 C SER A 65 -8.872 -8.507 -1.177 1.00 0.00 C ATOM 462 O SER A 65 -7.668 -8.270 -1.112 1.00 0.00 O ATOM 463 CB SER A 65 -9.712 -9.961 -3.046 1.00 0.00 C ATOM 464 OG SER A 65 -8.445 -10.588 -3.117 1.00 0.00 O ATOM 0 H SER A 65 -7.982 -8.326 -3.818 1.00 0.00 H new ATOM 0 HA SER A 65 -10.564 -8.086 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.368 -10.527 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.179 -9.958 -4.031 1.00 0.00 H new ATOM 0 HG SER A 65 -7.976 -10.287 -3.923 1.00 0.00 H new ATOM 465 N ASP A 66 -9.598 -8.803 -0.097 1.00 0.00 N ATOM 466 CA ASP A 66 -9.028 -8.797 1.246 1.00 0.00 C ATOM 467 C ASP A 66 -7.756 -9.652 1.332 1.00 0.00 C ATOM 468 O ASP A 66 -6.776 -9.248 1.951 1.00 0.00 O ATOM 469 CB ASP A 66 -10.076 -9.275 2.251 1.00 0.00 C ATOM 470 CG ASP A 66 -9.613 -8.930 3.657 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.901 -7.793 4.085 1.00 0.00 O ATOM 472 OD2 ASP A 66 -8.943 -9.781 4.279 1.00 0.00 O ATOM 0 H ASP A 66 -10.587 -9.051 -0.130 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.738 -7.775 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.037 -8.803 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.223 -10.351 2.157 1.00 0.00 H new ATOM 473 N GLU A 67 -7.768 -10.826 0.692 1.00 0.00 N ATOM 474 CA GLU A 67 -6.629 -11.734 0.663 1.00 0.00 C ATOM 475 C GLU A 67 -5.427 -11.021 0.034 1.00 0.00 C ATOM 476 O GLU A 67 -4.343 -10.977 0.615 1.00 0.00 O ATOM 477 CB GLU A 67 -7.034 -13.002 -0.108 1.00 0.00 C ATOM 478 CG GLU A 67 -5.916 -14.055 -0.210 1.00 0.00 C ATOM 479 CD GLU A 67 -4.930 -13.780 -1.343 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.388 -13.676 -2.502 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.715 -13.680 -1.059 1.00 0.00 O ATOM 0 H GLU A 67 -8.578 -11.171 0.177 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.335 -12.032 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.899 -13.451 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.346 -12.720 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.373 -14.091 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.364 -15.038 -0.358 1.00 0.00 H new ATOM 482 N GLU A 68 -5.618 -10.474 -1.169 1.00 0.00 N ATOM 483 CA GLU A 68 -4.578 -9.749 -1.881 1.00 0.00 C ATOM 484 C GLU A 68 -4.064 -8.595 -1.016 1.00 0.00 C ATOM 485 O GLU A 68 -2.857 -8.412 -0.902 1.00 0.00 O ATOM 486 CB GLU A 68 -5.153 -9.240 -3.203 1.00 0.00 C ATOM 487 CG GLU A 68 -5.318 -10.361 -4.233 1.00 0.00 C ATOM 488 CD GLU A 68 -6.046 -9.843 -5.465 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.219 -9.448 -5.285 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.417 -9.836 -6.544 1.00 0.00 O ATOM 0 H GLU A 68 -6.503 -10.525 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.734 -10.406 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.120 -8.772 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.498 -8.469 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.340 -10.750 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.875 -11.188 -3.794 1.00 0.00 H new ATOM 491 N LEU A 69 -4.969 -7.825 -0.408 1.00 0.00 N ATOM 492 CA LEU A 69 -4.618 -6.709 0.459 1.00 0.00 C ATOM 493 C LEU A 69 -3.746 -7.186 1.623 1.00 0.00 C ATOM 494 O LEU A 69 -2.706 -6.591 1.911 1.00 0.00 O ATOM 495 CB LEU A 69 -5.899 -6.038 0.976 1.00 0.00 C ATOM 496 CG LEU A 69 -6.697 -5.284 -0.096 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.888 -4.575 0.557 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.824 -4.267 -0.822 1.00 0.00 C ATOM 0 H LEU A 69 -5.975 -7.964 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.043 -5.980 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.540 -6.800 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.634 -5.341 1.771 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.054 -6.007 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.455 -4.039 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.532 -5.312 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.526 -3.868 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.418 -3.749 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.436 -3.543 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.993 -4.780 -1.305 1.00 0.00 H new ATOM 499 N LYS A 70 -4.156 -8.258 2.301 1.00 0.00 N ATOM 500 CA LYS A 70 -3.392 -8.798 3.413 1.00 0.00 C ATOM 501 C LYS A 70 -2.009 -9.232 2.925 1.00 0.00 C ATOM 502 O LYS A 70 -1.003 -8.875 3.535 1.00 0.00 O ATOM 503 CB LYS A 70 -4.148 -9.975 4.042 1.00 0.00 C ATOM 504 CG LYS A 70 -3.546 -10.331 5.409 1.00 0.00 C ATOM 505 CD LYS A 70 -4.143 -11.624 5.982 1.00 0.00 C ATOM 506 CE LYS A 70 -3.635 -12.890 5.277 1.00 0.00 C ATOM 507 NZ LYS A 70 -2.183 -13.083 5.458 1.00 0.00 N ATOM 0 H LYS A 70 -5.016 -8.767 2.095 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.263 -8.030 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.201 -9.719 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.101 -10.840 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.466 -10.443 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.720 -9.511 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.905 -11.687 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.229 -11.582 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.167 -13.759 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.862 -12.827 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.916 -14.033 5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.666 -12.369 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.942 -12.983 6.465 1.00 0.00 H new ATOM 508 N ALA A 71 -1.955 -9.967 1.808 1.00 0.00 N ATOM 509 CA ALA A 71 -0.703 -10.458 1.262 1.00 0.00 C ATOM 510 C ALA A 71 0.196 -9.275 0.938 1.00 0.00 C ATOM 511 O ALA A 71 1.390 -9.301 1.235 1.00 0.00 O ATOM 512 CB ALA A 71 -0.973 -11.307 0.021 1.00 0.00 C ATOM 0 H ALA A 71 -2.778 -10.232 1.266 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.198 -11.089 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.029 -11.672 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.604 -12.154 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.479 -10.702 -0.731 1.00 0.00 H new ATOM 513 N LEU A 72 -0.379 -8.233 0.330 1.00 0.00 N ATOM 514 CA LEU A 72 0.363 -7.039 0.015 1.00 0.00 C ATOM 515 C LEU A 72 0.965 -6.492 1.295 1.00 0.00 C ATOM 516 O LEU A 72 2.182 -6.426 1.389 1.00 0.00 O ATOM 517 CB LEU A 72 -0.583 -6.018 -0.607 1.00 0.00 C ATOM 518 CG LEU A 72 -0.547 -6.174 -2.118 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.517 -5.193 -2.730 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.836 -5.788 -2.612 1.00 0.00 C ATOM 0 H LEU A 72 -1.360 -8.206 0.051 1.00 0.00 H new ATOM 0 HA LEU A 72 1.162 -7.257 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.597 -6.168 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.287 -5.008 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.796 -7.201 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.501 -5.294 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.522 -5.397 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.229 -4.178 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.878 -5.895 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.043 -4.753 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.581 -6.439 -2.154 1.00 0.00 H new ATOM 521 N ALA A 73 0.137 -6.142 2.283 1.00 0.00 N ATOM 522 CA ALA A 73 0.623 -5.579 3.536 1.00 0.00 C ATOM 523 C ALA A 73 1.749 -6.433 4.128 1.00 0.00 C ATOM 524 O ALA A 73 2.785 -5.902 4.527 1.00 0.00 O ATOM 525 CB ALA A 73 -0.532 -5.479 4.533 1.00 0.00 C ATOM 0 H ALA A 73 -0.877 -6.241 2.234 1.00 0.00 H new ATOM 0 HA ALA A 73 1.023 -4.586 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.168 -5.058 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.311 -4.835 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.941 -6.472 4.716 1.00 0.00 H new ATOM 526 N ASP A 74 1.540 -7.753 4.198 1.00 0.00 N ATOM 527 CA ASP A 74 2.544 -8.690 4.684 1.00 0.00 C ATOM 528 C ASP A 74 3.851 -8.452 3.919 1.00 0.00 C ATOM 529 O ASP A 74 4.909 -8.357 4.536 1.00 0.00 O ATOM 530 CB ASP A 74 2.071 -10.144 4.516 1.00 0.00 C ATOM 531 CG ASP A 74 0.812 -10.487 5.312 1.00 0.00 C ATOM 532 OD1 ASP A 74 0.612 -9.868 6.380 1.00 0.00 O ATOM 533 OD2 ASP A 74 0.073 -11.382 4.844 1.00 0.00 O ATOM 0 H ASP A 74 0.666 -8.197 3.917 1.00 0.00 H new ATOM 0 HA ASP A 74 2.707 -8.524 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.883 -10.334 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.875 -10.814 4.822 1.00 0.00 H new ATOM 534 N TYR A 75 3.790 -8.334 2.585 1.00 0.00 N ATOM 535 CA TYR A 75 4.987 -8.052 1.799 1.00 0.00 C ATOM 536 C TYR A 75 5.528 -6.671 2.182 1.00 0.00 C ATOM 537 O TYR A 75 6.704 -6.579 2.524 1.00 0.00 O ATOM 538 CB TYR A 75 4.747 -8.140 0.289 1.00 0.00 C ATOM 539 CG TYR A 75 5.956 -7.676 -0.506 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.191 -8.334 -0.345 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.902 -6.479 -1.245 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.357 -7.807 -0.926 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.057 -5.993 -1.884 1.00 0.00 C ATOM 544 CZ TYR A 75 8.293 -6.634 -1.695 1.00 0.00 C ATOM 545 OH TYR A 75 9.431 -6.065 -2.181 1.00 0.00 O ATOM 0 H TYR A 75 2.934 -8.429 2.039 1.00 0.00 H new ATOM 0 HA TYR A 75 5.724 -8.821 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.508 -9.169 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.883 -7.532 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.242 -9.248 0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.973 -5.933 -1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.304 -8.305 -0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.994 -5.124 -2.522 1.00 0.00 H new ATOM 0 HH TYR A 75 10.187 -6.303 -1.605 1.00 0.00 H new ATOM 546 N MET A 76 4.715 -5.600 2.130 1.00 0.00 N ATOM 547 CA MET A 76 5.192 -4.270 2.523 1.00 0.00 C ATOM 548 C MET A 76 5.911 -4.277 3.873 1.00 0.00 C ATOM 549 O MET A 76 6.823 -3.485 4.098 1.00 0.00 O ATOM 550 CB MET A 76 4.061 -3.249 2.585 1.00 0.00 C ATOM 551 CG MET A 76 3.681 -2.724 1.197 1.00 0.00 C ATOM 552 SD MET A 76 2.353 -3.619 0.380 1.00 0.00 S ATOM 553 CE MET A 76 0.969 -2.535 0.756 1.00 0.00 C ATOM 0 H MET A 76 3.742 -5.631 1.825 1.00 0.00 H new ATOM 0 HA MET A 76 5.900 -3.983 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.187 -3.704 3.051 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.361 -2.414 3.218 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.390 -1.678 1.289 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.565 -2.755 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.150 -2.739 0.067 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.635 -2.712 1.778 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.282 -1.496 0.651 1.00 0.00 H new ATOM 554 N SER A 77 5.492 -5.142 4.791 1.00 0.00 N ATOM 555 CA SER A 77 6.134 -5.238 6.089 1.00 0.00 C ATOM 556 C SER A 77 7.642 -5.502 5.962 1.00 0.00 C ATOM 557 O SER A 77 8.419 -5.023 6.786 1.00 0.00 O ATOM 558 CB SER A 77 5.429 -6.319 6.913 1.00 0.00 C ATOM 559 OG SER A 77 5.655 -6.103 8.289 1.00 0.00 O ATOM 0 H SER A 77 4.711 -5.784 4.657 1.00 0.00 H new ATOM 0 HA SER A 77 6.041 -4.283 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.359 -6.306 6.706 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.797 -7.304 6.626 1.00 0.00 H new ATOM 0 HG SER A 77 5.206 -5.278 8.569 1.00 0.00 H new ATOM 560 N LYS A 78 8.065 -6.236 4.927 1.00 0.00 N ATOM 561 CA LYS A 78 9.459 -6.550 4.672 1.00 0.00 C ATOM 562 C LYS A 78 9.708 -6.492 3.161 1.00 0.00 C ATOM 563 O LYS A 78 9.932 -7.527 2.532 1.00 0.00 O ATOM 564 CB LYS A 78 9.770 -7.934 5.262 1.00 0.00 C ATOM 565 CG LYS A 78 11.280 -8.224 5.241 1.00 0.00 C ATOM 566 CD LYS A 78 11.604 -9.714 5.429 1.00 0.00 C ATOM 567 CE LYS A 78 11.052 -10.615 4.313 1.00 0.00 C ATOM 568 NZ LYS A 78 11.341 -10.085 2.966 1.00 0.00 N ATOM 0 H LYS A 78 7.429 -6.632 4.235 1.00 0.00 H new ATOM 0 HA LYS A 78 10.123 -5.829 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.402 -7.986 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.242 -8.701 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.697 -7.883 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.767 -7.649 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.686 -9.837 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.199 -10.046 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.483 -11.612 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.974 -10.721 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.071 -10.790 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.799 -9.211 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.357 -9.881 2.884 1.00 0.00 H new ATOM 569 N LEU A 79 9.630 -5.287 2.585 1.00 0.00 N ATOM 570 CA LEU A 79 9.882 -5.110 1.155 1.00 0.00 C ATOM 571 C LEU A 79 11.255 -5.643 0.751 1.00 0.00 C ATOM 572 O LEU A 79 12.213 -5.396 1.517 1.00 0.00 O ATOM 573 CB LEU A 79 9.785 -3.636 0.739 1.00 0.00 C ATOM 574 CG LEU A 79 8.327 -3.190 0.726 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.112 -2.138 1.802 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.907 -2.578 -0.599 1.00 0.00 C ATOM 577 OXT LEU A 79 11.314 -6.243 -0.349 1.00 0.00 O ATOM 0 H LEU A 79 9.396 -4.429 3.084 1.00 0.00 H new ATOM 0 HA LEU A 79 9.109 -5.681 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.357 -3.017 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.224 -3.499 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 79 7.728 -4.084 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.070 -1.818 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.355 -2.560 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.757 -1.281 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.860 -2.280 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.523 -1.703 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.036 -3.311 -1.396 1.00 0.00 H new