USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 530 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 Single : A 23 HIS : no HE2:sc= -0.535 K(o=-0.54,f=-4!) USER MOD Single : A 25 TYR OH : rot -151:sc= 0.476 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -175:sc= -1.64 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= -1.01 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 110:sc= -0.0969 USER MOD Single : A 42 THR OG1 : rot 71:sc= 0.165 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.45 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 73 ASN : amide:sc= -0.469 K(o=-0.47,f=-1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -134:sc= 0.129 (180deg=-0.423) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 18.186 -9.210 20.755 1.00 11.41 N ATOM 2 CA LEU A 20 17.293 -8.679 19.731 1.00 42.45 C ATOM 3 C LEU A 20 16.572 -9.805 18.999 1.00 73.35 C ATOM 4 O LEU A 20 17.045 -10.940 18.934 1.00 22.43 O ATOM 5 CB LEU A 20 18.081 -7.829 18.731 1.00 73.41 C ATOM 6 CG LEU A 20 19.306 -7.101 19.287 1.00 35.20 C ATOM 7 CD1 LEU A 20 19.954 -6.246 18.210 1.00 74.50 C ATOM 8 CD2 LEU A 20 18.920 -6.250 20.487 1.00 0.42 C ATOM 0 HA LEU A 20 16.547 -8.055 20.223 1.00 42.45 H new ATOM 0 HB2 LEU A 20 18.406 -8.473 17.914 1.00 73.41 H new ATOM 0 HB3 LEU A 20 17.406 -7.088 18.303 1.00 73.41 H new ATOM 0 HG LEU A 20 20.031 -7.846 19.614 1.00 35.20 H new ATOM 0 HD11 LEU A 20 20.824 -5.736 18.625 1.00 74.50 H new ATOM 0 HD12 LEU A 20 20.267 -6.881 17.381 1.00 74.50 H new ATOM 0 HD13 LEU A 20 19.237 -5.507 17.851 1.00 74.50 H new ATOM 0 HD21 LEU A 20 19.803 -5.739 20.870 1.00 0.42 H new ATOM 0 HD22 LEU A 20 18.176 -5.512 20.186 1.00 0.42 H new ATOM 0 HD23 LEU A 20 18.503 -6.888 21.266 1.00 0.42 H new ATOM 20 N PRO A 21 15.398 -9.487 18.431 1.00 21.50 N ATOM 21 CA PRO A 21 14.588 -10.459 17.691 1.00 21.55 C ATOM 22 C PRO A 21 15.229 -10.863 16.369 1.00 44.23 C ATOM 23 O PRO A 21 15.718 -10.015 15.621 1.00 31.14 O ATOM 24 CB PRO A 21 13.276 -9.711 17.443 1.00 15.13 C ATOM 25 CG PRO A 21 13.651 -8.269 17.475 1.00 54.32 C ATOM 26 CD PRO A 21 14.774 -8.154 18.468 1.00 74.33 C ATOM 0 HA PRO A 21 14.466 -11.391 18.243 1.00 21.55 H new ATOM 0 HB2 PRO A 21 12.839 -9.985 16.483 1.00 15.13 H new ATOM 0 HB3 PRO A 21 12.536 -9.945 18.208 1.00 15.13 H new ATOM 0 HG2 PRO A 21 13.965 -7.926 16.489 1.00 54.32 H new ATOM 0 HG3 PRO A 21 12.803 -7.652 17.772 1.00 54.32 H new ATOM 0 HD2 PRO A 21 15.480 -7.372 18.188 1.00 74.33 H new ATOM 0 HD3 PRO A 21 14.406 -7.910 19.465 1.00 74.33 H new ATOM 34 N ALA A 22 15.225 -12.161 16.085 1.00 3.04 N ATOM 35 CA ALA A 22 15.804 -12.676 14.850 1.00 4.33 C ATOM 36 C ALA A 22 14.815 -13.568 14.109 1.00 33.03 C ATOM 37 O ALA A 22 13.838 -14.044 14.689 1.00 23.22 O ATOM 38 CB ALA A 22 17.087 -13.439 15.148 1.00 72.41 C ATOM 0 H ALA A 22 14.827 -12.876 16.694 1.00 3.04 H new ATOM 0 HA ALA A 22 16.039 -11.828 14.206 1.00 4.33 H new ATOM 0 HB1 ALA A 22 17.509 -13.818 14.217 1.00 72.41 H new ATOM 0 HB2 ALA A 22 17.804 -12.772 15.627 1.00 72.41 H new ATOM 0 HB3 ALA A 22 16.868 -14.274 15.814 1.00 72.41 H new ATOM 44 N HIS A 23 15.073 -13.789 12.824 1.00 35.53 N ATOM 45 CA HIS A 23 14.204 -14.625 12.004 1.00 75.12 C ATOM 46 C HIS A 23 14.957 -15.845 11.483 1.00 74.53 C ATOM 47 O HIS A 23 16.156 -15.795 11.210 1.00 64.34 O ATOM 48 CB HIS A 23 13.643 -13.818 10.832 1.00 31.00 C ATOM 49 CG HIS A 23 13.048 -12.506 11.238 1.00 3.52 C ATOM 50 ND1 HIS A 23 11.908 -12.402 12.008 1.00 44.23 N ATOM 51 CD2 HIS A 23 13.443 -11.236 10.980 1.00 75.22 C ATOM 52 CE1 HIS A 23 11.627 -11.126 12.203 1.00 52.21 C ATOM 53 NE2 HIS A 23 12.543 -10.399 11.590 1.00 54.52 N ATOM 0 H HIS A 23 15.876 -13.401 12.329 1.00 35.53 H new ATOM 0 HA HIS A 23 13.378 -14.969 12.627 1.00 75.12 H new ATOM 0 HB2 HIS A 23 14.440 -13.638 10.111 1.00 31.00 H new ATOM 0 HB3 HIS A 23 12.882 -14.411 10.325 1.00 31.00 H new ATOM 0 HD1 HIS A 23 11.367 -13.187 12.370 1.00 44.23 H new ATOM 0 HD2 HIS A 23 14.305 -10.938 10.402 1.00 75.22 H new ATOM 0 HE1 HIS A 23 10.790 -10.743 12.768 1.00 52.21 H new ATOM 61 N PRO A 24 14.238 -16.969 11.342 1.00 51.15 N ATOM 62 CA PRO A 24 14.818 -18.224 10.853 1.00 41.11 C ATOM 63 C PRO A 24 15.185 -18.155 9.374 1.00 51.10 C ATOM 64 O PRO A 24 14.660 -17.325 8.632 1.00 61.23 O ATOM 65 CB PRO A 24 13.700 -19.244 11.080 1.00 44.35 C ATOM 66 CG PRO A 24 12.446 -18.441 11.064 1.00 0.11 C ATOM 67 CD PRO A 24 12.804 -17.102 11.647 1.00 43.20 C ATOM 0 HA PRO A 24 15.748 -18.470 11.365 1.00 41.11 H new ATOM 0 HB2 PRO A 24 13.693 -20.004 10.299 1.00 44.35 H new ATOM 0 HB3 PRO A 24 13.825 -19.764 12.030 1.00 44.35 H new ATOM 0 HG2 PRO A 24 12.064 -18.335 10.049 1.00 0.11 H new ATOM 0 HG3 PRO A 24 11.665 -18.925 11.650 1.00 0.11 H new ATOM 0 HD2 PRO A 24 12.221 -16.299 11.196 1.00 43.20 H new ATOM 0 HD3 PRO A 24 12.617 -17.068 12.720 1.00 43.20 H new ATOM 75 N TYR A 25 16.088 -19.033 8.953 1.00 71.35 N ATOM 76 CA TYR A 25 16.527 -19.071 7.562 1.00 75.25 C ATOM 77 C TYR A 25 15.392 -19.522 6.645 1.00 24.32 C ATOM 78 O TYR A 25 15.289 -19.077 5.502 1.00 2.13 O ATOM 79 CB TYR A 25 17.725 -20.009 7.409 1.00 53.35 C ATOM 80 CG TYR A 25 18.217 -20.134 5.984 1.00 32.14 C ATOM 81 CD1 TYR A 25 17.648 -21.054 5.111 1.00 50.44 C ATOM 82 CD2 TYR A 25 19.250 -19.334 5.511 1.00 21.35 C ATOM 83 CE1 TYR A 25 18.094 -21.172 3.808 1.00 4.22 C ATOM 84 CE2 TYR A 25 19.702 -19.445 4.211 1.00 25.42 C ATOM 85 CZ TYR A 25 19.121 -20.366 3.364 1.00 40.23 C ATOM 86 OH TYR A 25 19.569 -20.481 2.067 1.00 3.33 O ATOM 0 H TYR A 25 16.531 -19.728 9.554 1.00 71.35 H new ATOM 0 HA TYR A 25 16.825 -18.063 7.273 1.00 75.25 H new ATOM 0 HB2 TYR A 25 18.541 -19.649 8.036 1.00 53.35 H new ATOM 0 HB3 TYR A 25 17.452 -20.997 7.778 1.00 53.35 H new ATOM 0 HD1 TYR A 25 16.844 -21.687 5.457 1.00 50.44 H new ATOM 0 HD2 TYR A 25 19.707 -18.613 6.172 1.00 21.35 H new ATOM 0 HE1 TYR A 25 17.641 -21.891 3.142 1.00 4.22 H new ATOM 0 HE2 TYR A 25 20.505 -18.815 3.859 1.00 25.42 H new ATOM 0 HH TYR A 25 20.516 -20.232 2.025 1.00 3.33 H new ATOM 96 N ASP A 26 14.546 -20.408 7.156 1.00 34.34 N ATOM 97 CA ASP A 26 13.418 -20.920 6.387 1.00 54.41 C ATOM 98 C ASP A 26 12.472 -19.790 5.991 1.00 24.45 C ATOM 99 O ASP A 26 11.766 -19.881 4.988 1.00 40.15 O ATOM 100 CB ASP A 26 12.661 -21.977 7.192 1.00 74.34 C ATOM 101 CG ASP A 26 12.977 -23.388 6.736 1.00 60.00 C ATOM 102 OD1 ASP A 26 14.022 -23.928 7.158 1.00 51.12 O ATOM 103 OD2 ASP A 26 12.180 -23.953 5.958 1.00 41.32 O ATOM 0 H ASP A 26 14.620 -20.787 8.100 1.00 34.34 H new ATOM 0 HA ASP A 26 13.808 -21.378 5.478 1.00 54.41 H new ATOM 0 HB2 ASP A 26 12.912 -21.875 8.248 1.00 74.34 H new ATOM 0 HB3 ASP A 26 11.589 -21.800 7.101 1.00 74.34 H new ATOM 108 N ARG A 27 12.464 -18.726 6.789 1.00 73.43 N ATOM 109 CA ARG A 27 11.603 -17.580 6.524 1.00 31.23 C ATOM 110 C ARG A 27 12.359 -16.498 5.760 1.00 43.05 C ATOM 111 O ARG A 27 11.754 -15.633 5.126 1.00 41.42 O ATOM 112 CB ARG A 27 11.060 -17.009 7.836 1.00 43.51 C ATOM 113 CG ARG A 27 9.941 -16.000 7.643 1.00 54.43 C ATOM 114 CD ARG A 27 8.592 -16.581 8.036 1.00 21.52 C ATOM 115 NE ARG A 27 8.085 -16.000 9.277 1.00 54.24 N ATOM 116 CZ ARG A 27 7.087 -16.523 9.979 1.00 1.05 C ATOM 117 NH1 ARG A 27 6.492 -17.633 9.567 1.00 62.22 N ATOM 118 NH2 ARG A 27 6.682 -15.935 11.098 1.00 2.31 N ATOM 0 H ARG A 27 13.044 -18.635 7.623 1.00 73.43 H new ATOM 0 HA ARG A 27 10.768 -17.918 5.910 1.00 31.23 H new ATOM 0 HB2 ARG A 27 10.696 -17.828 8.456 1.00 43.51 H new ATOM 0 HB3 ARG A 27 11.876 -16.534 8.381 1.00 43.51 H new ATOM 0 HG2 ARG A 27 10.144 -15.112 8.241 1.00 54.43 H new ATOM 0 HG3 ARG A 27 9.912 -15.683 6.601 1.00 54.43 H new ATOM 0 HD2 ARG A 27 7.875 -16.406 7.234 1.00 21.52 H new ATOM 0 HD3 ARG A 27 8.683 -17.661 8.152 1.00 21.52 H new ATOM 0 HE ARG A 27 8.522 -15.146 9.623 1.00 54.24 H new ATOM 0 HH11 ARG A 27 6.801 -18.088 8.708 1.00 62.22 H new ATOM 0 HH12 ARG A 27 5.726 -18.032 10.109 1.00 62.22 H new ATOM 0 HH21 ARG A 27 7.138 -15.081 11.419 1.00 2.31 H new ATOM 0 HH22 ARG A 27 5.915 -16.337 11.637 1.00 2.31 H new ATOM 132 N LEU A 28 13.685 -16.552 5.825 1.00 14.41 N ATOM 133 CA LEU A 28 14.525 -15.576 5.139 1.00 25.01 C ATOM 134 C LEU A 28 14.912 -16.072 3.749 1.00 11.31 C ATOM 135 O LEU A 28 15.319 -17.221 3.580 1.00 43.05 O ATOM 136 CB LEU A 28 15.784 -15.291 5.961 1.00 72.13 C ATOM 137 CG LEU A 28 15.661 -14.192 7.016 1.00 5.21 C ATOM 138 CD1 LEU A 28 16.534 -14.509 8.220 1.00 25.31 C ATOM 139 CD2 LEU A 28 16.034 -12.840 6.425 1.00 4.22 C ATOM 0 H LEU A 28 14.202 -17.261 6.346 1.00 14.41 H new ATOM 0 HA LEU A 28 13.954 -14.654 5.029 1.00 25.01 H new ATOM 0 HB2 LEU A 28 16.085 -16.213 6.459 1.00 72.13 H new ATOM 0 HB3 LEU A 28 16.588 -15.021 5.276 1.00 72.13 H new ATOM 0 HG LEU A 28 14.623 -14.147 7.347 1.00 5.21 H new ATOM 0 HD11 LEU A 28 16.434 -13.716 8.961 1.00 25.31 H new ATOM 0 HD12 LEU A 28 16.220 -15.456 8.658 1.00 25.31 H new ATOM 0 HD13 LEU A 28 17.575 -14.582 7.905 1.00 25.31 H new ATOM 0 HD21 LEU A 28 15.940 -12.070 7.191 1.00 4.22 H new ATOM 0 HD22 LEU A 28 17.063 -12.871 6.066 1.00 4.22 H new ATOM 0 HD23 LEU A 28 15.366 -12.609 5.595 1.00 4.22 H new ATOM 151 N LYS A 29 14.785 -15.197 2.758 1.00 52.31 N ATOM 152 CA LYS A 29 15.125 -15.543 1.383 1.00 55.32 C ATOM 153 C LYS A 29 16.036 -14.487 0.766 1.00 3.31 C ATOM 154 O LYS A 29 15.992 -13.315 1.143 1.00 64.45 O ATOM 155 CB LYS A 29 13.853 -15.687 0.543 1.00 42.40 C ATOM 156 CG LYS A 29 13.925 -16.806 -0.481 1.00 30.20 C ATOM 157 CD LYS A 29 12.551 -17.386 -0.771 1.00 21.33 C ATOM 158 CE LYS A 29 12.584 -18.906 -0.810 1.00 72.14 C ATOM 159 NZ LYS A 29 12.444 -19.499 0.548 1.00 62.32 N ATOM 0 H LYS A 29 14.449 -14.242 2.881 1.00 52.31 H new ATOM 0 HA LYS A 29 15.656 -16.495 1.395 1.00 55.32 H new ATOM 0 HB2 LYS A 29 13.007 -15.867 1.207 1.00 42.40 H new ATOM 0 HB3 LYS A 29 13.659 -14.746 0.028 1.00 42.40 H new ATOM 0 HG2 LYS A 29 14.363 -16.428 -1.404 1.00 30.20 H new ATOM 0 HG3 LYS A 29 14.583 -17.594 -0.115 1.00 30.20 H new ATOM 0 HD2 LYS A 29 11.847 -17.056 -0.007 1.00 21.33 H new ATOM 0 HD3 LYS A 29 12.188 -17.004 -1.725 1.00 21.33 H new ATOM 0 HE2 LYS A 29 11.780 -19.270 -1.450 1.00 72.14 H new ATOM 0 HE3 LYS A 29 13.522 -19.237 -1.256 1.00 72.14 H new ATOM 0 HZ1 LYS A 29 12.471 -20.536 0.478 1.00 62.32 H new ATOM 0 HZ2 LYS A 29 13.225 -19.172 1.152 1.00 62.32 H new ATOM 0 HZ3 LYS A 29 11.538 -19.204 0.964 1.00 62.32 H new ATOM 173 N THR A 30 16.864 -14.910 -0.186 1.00 12.54 N ATOM 174 CA THR A 30 17.786 -14.001 -0.855 1.00 23.21 C ATOM 175 C THR A 30 17.069 -12.745 -1.335 1.00 55.31 C ATOM 176 O THR A 30 17.592 -11.635 -1.220 1.00 35.31 O ATOM 177 CB THR A 30 18.469 -14.679 -2.058 1.00 23.44 C ATOM 178 OG1 THR A 30 18.354 -16.103 -1.947 1.00 42.52 O ATOM 179 CG2 THR A 30 19.938 -14.289 -2.137 1.00 32.14 C ATOM 0 H THR A 30 16.914 -15.876 -0.510 1.00 12.54 H new ATOM 0 HA THR A 30 18.545 -13.725 -0.123 1.00 23.21 H new ATOM 0 HB THR A 30 17.971 -14.344 -2.968 1.00 23.44 H new ATOM 0 HG1 THR A 30 18.857 -16.529 -2.672 1.00 42.52 H new ATOM 0 HG21 THR A 30 20.399 -14.780 -2.994 1.00 32.14 H new ATOM 0 HG22 THR A 30 20.022 -13.208 -2.249 1.00 32.14 H new ATOM 0 HG23 THR A 30 20.446 -14.599 -1.224 1.00 32.14 H new ATOM 187 N THR A 31 15.867 -12.925 -1.875 1.00 43.44 N ATOM 188 CA THR A 31 15.078 -11.805 -2.373 1.00 50.32 C ATOM 189 C THR A 31 13.673 -11.817 -1.783 1.00 70.21 C ATOM 190 O THR A 31 12.689 -11.600 -2.491 1.00 42.34 O ATOM 191 CB THR A 31 14.978 -11.828 -3.910 1.00 75.22 C ATOM 192 OG1 THR A 31 14.355 -13.044 -4.342 1.00 61.43 O ATOM 193 CG2 THR A 31 16.355 -11.705 -4.545 1.00 32.44 C ATOM 0 H THR A 31 15.419 -13.836 -1.978 1.00 43.44 H new ATOM 0 HA THR A 31 15.591 -10.894 -2.063 1.00 50.32 H new ATOM 0 HB THR A 31 14.373 -10.978 -4.225 1.00 75.22 H new ATOM 0 HG1 THR A 31 14.293 -13.050 -5.320 1.00 61.43 H new ATOM 0 HG21 THR A 31 16.258 -11.724 -5.631 1.00 32.44 H new ATOM 0 HG22 THR A 31 16.815 -10.766 -4.238 1.00 32.44 H new ATOM 0 HG23 THR A 31 16.980 -12.537 -4.222 1.00 32.44 H new ATOM 201 N SER A 32 13.585 -12.072 -0.482 1.00 14.44 N ATOM 202 CA SER A 32 12.298 -12.115 0.203 1.00 2.22 C ATOM 203 C SER A 32 11.848 -10.713 0.603 1.00 54.54 C ATOM 204 O SER A 32 12.668 -9.818 0.806 1.00 4.33 O ATOM 205 CB SER A 32 12.386 -13.007 1.443 1.00 11.34 C ATOM 206 OG SER A 32 11.536 -14.133 1.322 1.00 34.43 O ATOM 0 H SER A 32 14.389 -12.252 0.119 1.00 14.44 H new ATOM 0 HA SER A 32 11.562 -12.532 -0.485 1.00 2.22 H new ATOM 0 HB2 SER A 32 13.415 -13.338 1.585 1.00 11.34 H new ATOM 0 HB3 SER A 32 12.111 -12.433 2.328 1.00 11.34 H new ATOM 0 HG SER A 32 11.488 -14.601 2.182 1.00 34.43 H new ATOM 212 N THR A 33 10.536 -10.528 0.713 1.00 40.32 N ATOM 213 CA THR A 33 9.974 -9.236 1.085 1.00 0.14 C ATOM 214 C THR A 33 9.197 -9.331 2.394 1.00 21.20 C ATOM 215 O THR A 33 8.560 -8.367 2.820 1.00 74.44 O ATOM 216 CB THR A 33 9.043 -8.690 -0.012 1.00 52.22 C ATOM 217 OG1 THR A 33 8.030 -9.655 -0.320 1.00 41.43 O ATOM 218 CG2 THR A 33 9.828 -8.353 -1.270 1.00 41.14 C ATOM 0 H THR A 33 9.842 -11.258 0.549 1.00 40.32 H new ATOM 0 HA THR A 33 10.813 -8.552 1.212 1.00 0.14 H new ATOM 0 HB THR A 33 8.575 -7.779 0.360 1.00 52.22 H new ATOM 0 HG1 THR A 33 7.441 -9.299 -1.018 1.00 41.43 H new ATOM 0 HG21 THR A 33 9.149 -7.969 -2.031 1.00 41.14 H new ATOM 0 HG22 THR A 33 10.579 -7.597 -1.039 1.00 41.14 H new ATOM 0 HG23 THR A 33 10.320 -9.251 -1.643 1.00 41.14 H new ATOM 226 N ASP A 34 9.256 -10.497 3.027 1.00 32.22 N ATOM 227 CA ASP A 34 8.558 -10.718 4.290 1.00 43.24 C ATOM 228 C ASP A 34 8.898 -9.623 5.297 1.00 44.33 C ATOM 229 O ASP A 34 9.895 -8.912 5.165 1.00 72.33 O ATOM 230 CB ASP A 34 8.921 -12.087 4.865 1.00 23.41 C ATOM 231 CG ASP A 34 7.943 -13.168 4.448 1.00 3.04 C ATOM 232 OD1 ASP A 34 6.720 -12.914 4.499 1.00 25.31 O ATOM 233 OD2 ASP A 34 8.399 -14.267 4.071 1.00 53.24 O ATOM 0 H ASP A 34 9.779 -11.304 2.687 1.00 32.22 H new ATOM 0 HA ASP A 34 7.486 -10.688 4.095 1.00 43.24 H new ATOM 0 HB2 ASP A 34 9.923 -12.362 4.536 1.00 23.41 H new ATOM 0 HB3 ASP A 34 8.948 -12.025 5.953 1.00 23.41 H new ATOM 238 N PRO A 35 8.051 -9.482 6.326 1.00 15.44 N ATOM 239 CA PRO A 35 8.241 -8.476 7.375 1.00 33.00 C ATOM 240 C PRO A 35 9.433 -8.791 8.273 1.00 50.44 C ATOM 241 O PRO A 35 9.892 -9.931 8.333 1.00 22.30 O ATOM 242 CB PRO A 35 6.937 -8.547 8.174 1.00 1.32 C ATOM 243 CG PRO A 35 6.425 -9.927 7.943 1.00 23.10 C ATOM 244 CD PRO A 35 6.843 -10.295 6.547 1.00 54.35 C ATOM 0 HA PRO A 35 8.451 -7.490 6.960 1.00 33.00 H new ATOM 0 HB2 PRO A 35 7.112 -8.362 9.234 1.00 1.32 H new ATOM 0 HB3 PRO A 35 6.223 -7.798 7.833 1.00 1.32 H new ATOM 0 HG2 PRO A 35 6.840 -10.624 8.671 1.00 23.10 H new ATOM 0 HG3 PRO A 35 5.341 -9.964 8.048 1.00 23.10 H new ATOM 0 HD2 PRO A 35 7.054 -11.361 6.459 1.00 54.35 H new ATOM 0 HD3 PRO A 35 6.064 -10.063 5.820 1.00 54.35 H new ATOM 252 N VAL A 36 9.930 -7.773 8.968 1.00 12.33 N ATOM 253 CA VAL A 36 11.067 -7.941 9.863 1.00 24.41 C ATOM 254 C VAL A 36 10.856 -7.185 11.170 1.00 74.15 C ATOM 255 O VAL A 36 9.884 -6.445 11.320 1.00 42.22 O ATOM 256 CB VAL A 36 12.374 -7.456 9.208 1.00 1.10 C ATOM 257 CG1 VAL A 36 12.942 -8.529 8.290 1.00 31.15 C ATOM 258 CG2 VAL A 36 12.138 -6.162 8.446 1.00 50.43 C ATOM 0 H VAL A 36 9.562 -6.822 8.928 1.00 12.33 H new ATOM 0 HA VAL A 36 11.148 -9.008 10.073 1.00 24.41 H new ATOM 0 HB VAL A 36 13.104 -7.261 9.994 1.00 1.10 H new ATOM 0 HG11 VAL A 36 13.865 -8.168 7.836 1.00 31.15 H new ATOM 0 HG12 VAL A 36 13.149 -9.430 8.868 1.00 31.15 H new ATOM 0 HG13 VAL A 36 12.219 -8.759 7.508 1.00 31.15 H new ATOM 0 HG21 VAL A 36 13.072 -5.833 7.989 1.00 50.43 H new ATOM 0 HG22 VAL A 36 11.393 -6.328 7.668 1.00 50.43 H new ATOM 0 HG23 VAL A 36 11.780 -5.395 9.133 1.00 50.43 H new ATOM 268 N SER A 37 11.772 -7.377 12.114 1.00 41.34 N ATOM 269 CA SER A 37 11.685 -6.715 13.410 1.00 63.23 C ATOM 270 C SER A 37 12.328 -5.333 13.359 1.00 41.31 C ATOM 271 O SER A 37 12.565 -4.707 14.392 1.00 12.11 O ATOM 272 CB SER A 37 12.361 -7.565 14.487 1.00 64.44 C ATOM 273 OG SER A 37 11.432 -7.970 15.476 1.00 72.41 O ATOM 0 H SER A 37 12.583 -7.986 12.005 1.00 41.34 H new ATOM 0 HA SER A 37 10.631 -6.597 13.659 1.00 63.23 H new ATOM 0 HB2 SER A 37 12.815 -8.444 14.029 1.00 64.44 H new ATOM 0 HB3 SER A 37 13.166 -6.996 14.952 1.00 64.44 H new ATOM 0 HG SER A 37 11.272 -8.934 15.400 1.00 72.41 H new ATOM 279 N ASP A 38 12.607 -4.862 12.148 1.00 2.15 N ATOM 280 CA ASP A 38 13.222 -3.553 11.960 1.00 71.22 C ATOM 281 C ASP A 38 14.668 -3.556 12.449 1.00 34.03 C ATOM 282 O ASP A 38 14.972 -3.025 13.517 1.00 24.21 O ATOM 283 CB ASP A 38 12.423 -2.480 12.700 1.00 0.34 C ATOM 284 CG ASP A 38 12.625 -1.098 12.111 1.00 50.31 C ATOM 285 OD1 ASP A 38 11.877 -0.173 12.493 1.00 22.34 O ATOM 286 OD2 ASP A 38 13.532 -0.939 11.266 1.00 33.24 O ATOM 0 H ASP A 38 12.417 -5.367 11.282 1.00 2.15 H new ATOM 0 HA ASP A 38 13.219 -3.327 10.894 1.00 71.22 H new ATOM 0 HB2 ASP A 38 11.363 -2.734 12.668 1.00 0.34 H new ATOM 0 HB3 ASP A 38 12.717 -2.471 13.749 1.00 0.34 H new ATOM 291 N ILE A 39 15.551 -4.157 11.660 1.00 25.45 N ATOM 292 CA ILE A 39 16.964 -4.230 12.013 1.00 5.53 C ATOM 293 C ILE A 39 17.845 -3.810 10.842 1.00 2.42 C ATOM 294 O ILE A 39 17.352 -3.320 9.825 1.00 3.21 O ATOM 295 CB ILE A 39 17.362 -5.649 12.457 1.00 33.13 C ATOM 296 CG1 ILE A 39 16.260 -6.647 12.098 1.00 72.50 C ATOM 297 CG2 ILE A 39 17.643 -5.677 13.953 1.00 65.54 C ATOM 298 CD1 ILE A 39 15.110 -6.659 13.083 1.00 5.53 C ATOM 0 H ILE A 39 15.314 -4.600 10.773 1.00 25.45 H new ATOM 0 HA ILE A 39 17.117 -3.543 12.845 1.00 5.53 H new ATOM 0 HB ILE A 39 18.272 -5.937 11.931 1.00 33.13 H new ATOM 0 HG12 ILE A 39 15.876 -6.410 11.106 1.00 72.50 H new ATOM 0 HG13 ILE A 39 16.691 -7.647 12.042 1.00 72.50 H new ATOM 0 HG21 ILE A 39 17.923 -6.687 14.252 1.00 65.54 H new ATOM 0 HG22 ILE A 39 18.458 -4.991 14.183 1.00 65.54 H new ATOM 0 HG23 ILE A 39 16.749 -5.373 14.497 1.00 65.54 H new ATOM 0 HD11 ILE A 39 14.366 -7.390 12.765 1.00 5.53 H new ATOM 0 HD12 ILE A 39 15.481 -6.926 14.072 1.00 5.53 H new ATOM 0 HD13 ILE A 39 14.654 -5.670 13.121 1.00 5.53 H new ATOM 310 N ASP A 40 19.150 -4.007 10.991 1.00 45.53 N ATOM 311 CA ASP A 40 20.101 -3.650 9.943 1.00 22.42 C ATOM 312 C ASP A 40 19.625 -4.152 8.584 1.00 63.15 C ATOM 313 O ASP A 40 19.816 -5.318 8.238 1.00 34.31 O ATOM 314 CB ASP A 40 21.481 -4.230 10.259 1.00 22.23 C ATOM 315 CG ASP A 40 21.898 -3.982 11.696 1.00 45.33 C ATOM 316 OD1 ASP A 40 22.116 -2.806 12.056 1.00 72.00 O ATOM 317 OD2 ASP A 40 22.006 -4.964 12.460 1.00 43.21 O ATOM 0 H ASP A 40 19.574 -4.411 11.826 1.00 45.53 H new ATOM 0 HA ASP A 40 20.171 -2.563 9.905 1.00 22.42 H new ATOM 0 HB2 ASP A 40 21.474 -5.303 10.066 1.00 22.23 H new ATOM 0 HB3 ASP A 40 22.219 -3.790 9.588 1.00 22.23 H new ATOM 322 N VAL A 41 19.003 -3.263 7.816 1.00 44.15 N ATOM 323 CA VAL A 41 18.499 -3.614 6.494 1.00 63.22 C ATOM 324 C VAL A 41 19.629 -4.075 5.580 1.00 50.12 C ATOM 325 O VAL A 41 19.490 -5.054 4.846 1.00 20.53 O ATOM 326 CB VAL A 41 17.772 -2.426 5.836 1.00 5.11 C ATOM 327 CG1 VAL A 41 17.323 -2.787 4.429 1.00 63.24 C ATOM 328 CG2 VAL A 41 16.589 -1.990 6.685 1.00 13.45 C ATOM 0 H VAL A 41 18.836 -2.294 8.087 1.00 44.15 H new ATOM 0 HA VAL A 41 17.791 -4.431 6.632 1.00 63.22 H new ATOM 0 HB VAL A 41 18.468 -1.590 5.766 1.00 5.11 H new ATOM 0 HG11 VAL A 41 16.811 -1.935 3.981 1.00 63.24 H new ATOM 0 HG12 VAL A 41 18.192 -3.047 3.825 1.00 63.24 H new ATOM 0 HG13 VAL A 41 16.643 -3.638 4.471 1.00 63.24 H new ATOM 0 HG21 VAL A 41 16.087 -1.150 6.205 1.00 13.45 H new ATOM 0 HG22 VAL A 41 15.890 -2.820 6.788 1.00 13.45 H new ATOM 0 HG23 VAL A 41 16.941 -1.687 7.671 1.00 13.45 H new ATOM 338 N THR A 42 20.749 -3.361 5.627 1.00 41.54 N ATOM 339 CA THR A 42 21.904 -3.695 4.803 1.00 51.23 C ATOM 340 C THR A 42 22.490 -5.045 5.199 1.00 12.04 C ATOM 341 O THR A 42 23.250 -5.648 4.441 1.00 21.52 O ATOM 342 CB THR A 42 23.001 -2.619 4.911 1.00 63.23 C ATOM 343 OG1 THR A 42 22.611 -1.614 5.854 1.00 22.53 O ATOM 344 CG2 THR A 42 23.264 -1.976 3.557 1.00 24.14 C ATOM 0 H THR A 42 20.881 -2.547 6.227 1.00 41.54 H new ATOM 0 HA THR A 42 21.554 -3.743 3.772 1.00 51.23 H new ATOM 0 HB THR A 42 23.918 -3.100 5.252 1.00 63.23 H new ATOM 0 HG1 THR A 42 22.644 -1.985 6.760 1.00 22.53 H new ATOM 0 HG21 THR A 42 24.042 -1.220 3.658 1.00 24.14 H new ATOM 0 HG22 THR A 42 23.589 -2.738 2.849 1.00 24.14 H new ATOM 0 HG23 THR A 42 22.349 -1.509 3.192 1.00 24.14 H new ATOM 352 N ARG A 43 22.133 -5.514 6.390 1.00 14.30 N ATOM 353 CA ARG A 43 22.624 -6.792 6.887 1.00 30.21 C ATOM 354 C ARG A 43 21.465 -7.730 7.216 1.00 44.04 C ATOM 355 O ARG A 43 21.433 -8.341 8.284 1.00 10.35 O ATOM 356 CB ARG A 43 23.492 -6.582 8.129 1.00 71.44 C ATOM 357 CG ARG A 43 24.746 -5.764 7.863 1.00 24.55 C ATOM 358 CD ARG A 43 24.837 -4.567 8.796 1.00 13.24 C ATOM 359 NE ARG A 43 24.896 -4.968 10.199 1.00 64.11 N ATOM 360 CZ ARG A 43 25.288 -4.161 11.179 1.00 55.25 C ATOM 361 NH1 ARG A 43 25.652 -2.915 10.910 1.00 11.33 N ATOM 362 NH2 ARG A 43 25.313 -4.600 12.431 1.00 44.52 N ATOM 0 H ARG A 43 21.505 -5.027 7.029 1.00 14.30 H new ATOM 0 HA ARG A 43 23.228 -7.249 6.103 1.00 30.21 H new ATOM 0 HB2 ARG A 43 22.899 -6.084 8.896 1.00 71.44 H new ATOM 0 HB3 ARG A 43 23.780 -7.554 8.529 1.00 71.44 H new ATOM 0 HG2 ARG A 43 25.627 -6.394 7.990 1.00 24.55 H new ATOM 0 HG3 ARG A 43 24.746 -5.421 6.828 1.00 24.55 H new ATOM 0 HD2 ARG A 43 25.723 -3.982 8.549 1.00 13.24 H new ATOM 0 HD3 ARG A 43 23.974 -3.920 8.640 1.00 13.24 H new ATOM 0 HE ARG A 43 24.621 -5.920 10.440 1.00 64.11 H new ATOM 0 HH11 ARG A 43 25.631 -2.574 9.949 1.00 11.33 H new ATOM 0 HH12 ARG A 43 25.953 -2.297 11.664 1.00 11.33 H new ATOM 0 HH21 ARG A 43 25.031 -5.557 12.641 1.00 44.52 H new ATOM 0 HH22 ARG A 43 25.614 -3.980 13.183 1.00 44.52 H new ATOM 376 N ARG A 44 20.517 -7.836 6.292 1.00 72.53 N ATOM 377 CA ARG A 44 19.356 -8.698 6.484 1.00 41.11 C ATOM 378 C ARG A 44 19.784 -10.105 6.889 1.00 65.10 C ATOM 379 O ARG A 44 19.146 -10.741 7.726 1.00 34.20 O ATOM 380 CB ARG A 44 18.519 -8.755 5.204 1.00 64.01 C ATOM 381 CG ARG A 44 17.298 -9.653 5.316 1.00 43.42 C ATOM 382 CD ARG A 44 16.013 -8.841 5.367 1.00 23.31 C ATOM 383 NE ARG A 44 15.321 -8.831 4.081 1.00 40.33 N ATOM 384 CZ ARG A 44 14.426 -7.912 3.736 1.00 14.13 C ATOM 385 NH1 ARG A 44 14.117 -6.933 4.576 1.00 31.10 N ATOM 386 NH2 ARG A 44 13.838 -7.970 2.547 1.00 1.25 N ATOM 0 H ARG A 44 20.529 -7.336 5.403 1.00 72.53 H new ATOM 0 HA ARG A 44 18.751 -8.277 7.287 1.00 41.11 H new ATOM 0 HB2 ARG A 44 18.196 -7.747 4.946 1.00 64.01 H new ATOM 0 HB3 ARG A 44 19.146 -9.108 4.385 1.00 64.01 H new ATOM 0 HG2 ARG A 44 17.266 -10.334 4.465 1.00 43.42 H new ATOM 0 HG3 ARG A 44 17.378 -10.267 6.213 1.00 43.42 H new ATOM 0 HD2 ARG A 44 15.353 -9.254 6.130 1.00 23.31 H new ATOM 0 HD3 ARG A 44 16.242 -7.817 5.663 1.00 23.31 H new ATOM 0 HE ARG A 44 15.537 -9.570 3.411 1.00 40.33 H new ATOM 0 HH11 ARG A 44 14.567 -6.884 5.490 1.00 31.10 H new ATOM 0 HH12 ARG A 44 13.429 -6.229 4.308 1.00 31.10 H new ATOM 0 HH21 ARG A 44 14.073 -8.721 1.898 1.00 1.25 H new ATOM 0 HH22 ARG A 44 13.151 -7.264 2.283 1.00 1.25 H new ATOM 400 N GLU A 45 20.869 -10.584 6.287 1.00 2.21 N ATOM 401 CA GLU A 45 21.381 -11.917 6.585 1.00 11.33 C ATOM 402 C GLU A 45 21.674 -12.067 8.074 1.00 22.25 C ATOM 403 O GLU A 45 21.572 -13.160 8.632 1.00 43.14 O ATOM 404 CB GLU A 45 22.648 -12.194 5.774 1.00 42.42 C ATOM 405 CG GLU A 45 23.861 -11.414 6.255 1.00 0.30 C ATOM 406 CD GLU A 45 23.738 -9.925 5.995 1.00 74.33 C ATOM 407 OE1 GLU A 45 23.056 -9.548 5.019 1.00 3.42 O ATOM 408 OE2 GLU A 45 24.323 -9.137 6.767 1.00 62.21 O ATOM 0 H GLU A 45 21.409 -10.070 5.591 1.00 2.21 H new ATOM 0 HA GLU A 45 20.616 -12.642 6.308 1.00 11.33 H new ATOM 0 HB2 GLU A 45 22.871 -13.260 5.817 1.00 42.42 H new ATOM 0 HB3 GLU A 45 22.461 -11.950 4.728 1.00 42.42 H new ATOM 0 HG2 GLU A 45 23.996 -11.582 7.323 1.00 0.30 H new ATOM 0 HG3 GLU A 45 24.753 -11.793 5.757 1.00 0.30 H new ATOM 415 N ALA A 46 22.040 -10.961 8.715 1.00 42.35 N ATOM 416 CA ALA A 46 22.347 -10.968 10.139 1.00 73.33 C ATOM 417 C ALA A 46 21.091 -11.207 10.970 1.00 4.11 C ATOM 418 O ALA A 46 21.171 -11.496 12.164 1.00 1.14 O ATOM 419 CB ALA A 46 23.008 -9.659 10.544 1.00 44.04 C ATOM 0 H ALA A 46 22.131 -10.048 8.269 1.00 42.35 H new ATOM 0 HA ALA A 46 23.040 -11.787 10.331 1.00 73.33 H new ATOM 0 HB1 ALA A 46 23.231 -9.679 11.611 1.00 44.04 H new ATOM 0 HB2 ALA A 46 23.933 -9.529 9.982 1.00 44.04 H new ATOM 0 HB3 ALA A 46 22.334 -8.830 10.330 1.00 44.04 H new ATOM 425 N TYR A 47 19.933 -11.085 10.331 1.00 12.44 N ATOM 426 CA TYR A 47 18.660 -11.284 11.013 1.00 34.41 C ATOM 427 C TYR A 47 18.536 -12.715 11.530 1.00 44.31 C ATOM 428 O TYR A 47 17.658 -13.023 12.337 1.00 2.43 O ATOM 429 CB TYR A 47 17.497 -10.969 10.069 1.00 34.15 C ATOM 430 CG TYR A 47 17.437 -9.520 9.646 1.00 51.44 C ATOM 431 CD1 TYR A 47 16.502 -9.086 8.714 1.00 51.23 C ATOM 432 CD2 TYR A 47 18.315 -8.583 10.176 1.00 63.12 C ATOM 433 CE1 TYR A 47 16.444 -7.763 8.322 1.00 5.32 C ATOM 434 CE2 TYR A 47 18.264 -7.258 9.792 1.00 55.41 C ATOM 435 CZ TYR A 47 17.327 -6.852 8.865 1.00 51.12 C ATOM 436 OH TYR A 47 17.272 -5.533 8.478 1.00 43.33 O ATOM 0 H TYR A 47 19.850 -10.849 9.342 1.00 12.44 H new ATOM 0 HA TYR A 47 18.623 -10.605 11.865 1.00 34.41 H new ATOM 0 HB2 TYR A 47 17.581 -11.595 9.181 1.00 34.15 H new ATOM 0 HB3 TYR A 47 16.560 -11.235 10.559 1.00 34.15 H new ATOM 0 HD1 TYR A 47 15.808 -9.796 8.289 1.00 51.23 H new ATOM 0 HD2 TYR A 47 19.051 -8.897 10.902 1.00 63.12 H new ATOM 0 HE1 TYR A 47 15.712 -7.443 7.595 1.00 5.32 H new ATOM 0 HE2 TYR A 47 18.954 -6.543 10.215 1.00 55.41 H new ATOM 0 HH TYR A 47 16.389 -5.166 8.691 1.00 43.33 H new ATOM 446 N LEU A 48 19.423 -13.585 11.060 1.00 1.41 N ATOM 447 CA LEU A 48 19.417 -14.983 11.474 1.00 22.41 C ATOM 448 C LEU A 48 20.186 -15.169 12.777 1.00 22.23 C ATOM 449 O LEU A 48 20.985 -14.316 13.166 1.00 60.30 O ATOM 450 CB LEU A 48 20.025 -15.862 10.380 1.00 2.21 C ATOM 451 CG LEU A 48 19.059 -16.803 9.660 1.00 73.22 C ATOM 452 CD1 LEU A 48 19.739 -17.455 8.466 1.00 51.04 C ATOM 453 CD2 LEU A 48 18.531 -17.861 10.619 1.00 65.00 C ATOM 0 H LEU A 48 20.156 -13.347 10.392 1.00 1.41 H new ATOM 0 HA LEU A 48 18.382 -15.282 11.639 1.00 22.41 H new ATOM 0 HB2 LEU A 48 20.490 -15.213 9.637 1.00 2.21 H new ATOM 0 HB3 LEU A 48 20.821 -16.461 10.823 1.00 2.21 H new ATOM 0 HG LEU A 48 18.215 -16.217 9.296 1.00 73.22 H new ATOM 0 HD11 LEU A 48 19.036 -18.121 7.966 1.00 51.04 H new ATOM 0 HD12 LEU A 48 20.067 -16.684 7.769 1.00 51.04 H new ATOM 0 HD13 LEU A 48 20.602 -18.027 8.807 1.00 51.04 H new ATOM 0 HD21 LEU A 48 17.845 -18.522 10.090 1.00 65.00 H new ATOM 0 HD22 LEU A 48 19.364 -18.443 11.013 1.00 65.00 H new ATOM 0 HD23 LEU A 48 18.005 -17.376 11.442 1.00 65.00 H new ATOM 465 N SER A 49 19.942 -16.290 13.448 1.00 1.24 N ATOM 466 CA SER A 49 20.610 -16.587 14.709 1.00 2.05 C ATOM 467 C SER A 49 22.095 -16.860 14.487 1.00 51.21 C ATOM 468 O SER A 49 22.500 -17.318 13.418 1.00 53.32 O ATOM 469 CB SER A 49 19.955 -17.792 15.387 1.00 22.43 C ATOM 470 OG SER A 49 19.242 -17.400 16.547 1.00 1.00 O ATOM 0 H SER A 49 19.286 -17.008 13.139 1.00 1.24 H new ATOM 0 HA SER A 49 20.511 -15.716 15.357 1.00 2.05 H new ATOM 0 HB2 SER A 49 19.277 -18.282 14.688 1.00 22.43 H new ATOM 0 HB3 SER A 49 20.719 -18.522 15.655 1.00 22.43 H new ATOM 0 HG SER A 49 18.832 -18.188 16.961 1.00 1.00 H new ATOM 476 N SER A 50 22.902 -16.575 15.504 1.00 22.22 N ATOM 477 CA SER A 50 24.343 -16.785 15.419 1.00 74.33 C ATOM 478 C SER A 50 24.658 -18.206 14.959 1.00 2.45 C ATOM 479 O SER A 50 25.687 -18.451 14.331 1.00 71.23 O ATOM 480 CB SER A 50 24.999 -16.518 16.774 1.00 22.34 C ATOM 481 OG SER A 50 25.082 -17.705 17.544 1.00 11.00 O ATOM 0 H SER A 50 22.583 -16.198 16.396 1.00 22.22 H new ATOM 0 HA SER A 50 24.745 -16.086 14.685 1.00 74.33 H new ATOM 0 HB2 SER A 50 25.998 -16.108 16.623 1.00 22.34 H new ATOM 0 HB3 SER A 50 24.425 -15.768 17.318 1.00 22.34 H new ATOM 0 HG SER A 50 25.507 -17.507 18.405 1.00 11.00 H new ATOM 487 N GLU A 51 23.764 -19.137 15.279 1.00 52.20 N ATOM 488 CA GLU A 51 23.948 -20.533 14.901 1.00 50.43 C ATOM 489 C GLU A 51 23.629 -20.742 13.423 1.00 74.21 C ATOM 490 O GLU A 51 24.474 -21.199 12.655 1.00 73.12 O ATOM 491 CB GLU A 51 23.060 -21.437 15.758 1.00 71.44 C ATOM 492 CG GLU A 51 23.148 -21.144 17.246 1.00 42.22 C ATOM 493 CD GLU A 51 22.526 -22.236 18.094 1.00 61.34 C ATOM 494 OE1 GLU A 51 21.302 -22.453 17.977 1.00 1.42 O ATOM 495 OE2 GLU A 51 23.263 -22.875 18.875 1.00 71.04 O ATOM 0 H GLU A 51 22.906 -18.950 15.798 1.00 52.20 H new ATOM 0 HA GLU A 51 24.992 -20.795 15.071 1.00 50.43 H new ATOM 0 HB2 GLU A 51 22.025 -21.326 15.435 1.00 71.44 H new ATOM 0 HB3 GLU A 51 23.339 -22.476 15.584 1.00 71.44 H new ATOM 0 HG2 GLU A 51 24.194 -21.022 17.527 1.00 42.22 H new ATOM 0 HG3 GLU A 51 22.649 -20.198 17.456 1.00 42.22 H new ATOM 502 N GLU A 52 22.404 -20.403 13.034 1.00 71.44 N ATOM 503 CA GLU A 52 21.973 -20.555 11.648 1.00 1.14 C ATOM 504 C GLU A 52 22.815 -19.687 10.719 1.00 4.41 C ATOM 505 O GLU A 52 23.376 -20.171 9.736 1.00 32.01 O ATOM 506 CB GLU A 52 20.494 -20.189 11.508 1.00 4.43 C ATOM 507 CG GLU A 52 19.559 -21.379 11.622 1.00 74.45 C ATOM 508 CD GLU A 52 18.519 -21.203 12.711 1.00 21.23 C ATOM 509 OE1 GLU A 52 18.712 -21.763 13.812 1.00 41.35 O ATOM 510 OE2 GLU A 52 17.513 -20.506 12.466 1.00 42.55 O ATOM 0 H GLU A 52 21.693 -20.022 13.658 1.00 71.44 H new ATOM 0 HA GLU A 52 22.109 -21.598 11.363 1.00 1.14 H new ATOM 0 HB2 GLU A 52 20.235 -19.459 12.275 1.00 4.43 H new ATOM 0 HB3 GLU A 52 20.338 -19.706 10.543 1.00 4.43 H new ATOM 0 HG2 GLU A 52 19.057 -21.534 10.667 1.00 74.45 H new ATOM 0 HG3 GLU A 52 20.143 -22.277 11.825 1.00 74.45 H new ATOM 517 N PHE A 53 22.899 -18.398 11.037 1.00 32.32 N ATOM 518 CA PHE A 53 23.670 -17.460 10.230 1.00 5.15 C ATOM 519 C PHE A 53 25.075 -17.996 9.968 1.00 60.34 C ATOM 520 O PHE A 53 25.496 -18.128 8.818 1.00 24.41 O ATOM 521 CB PHE A 53 23.754 -16.102 10.929 1.00 73.13 C ATOM 522 CG PHE A 53 24.842 -15.217 10.392 1.00 35.43 C ATOM 523 CD1 PHE A 53 26.133 -15.309 10.885 1.00 3.30 C ATOM 524 CD2 PHE A 53 24.573 -14.293 9.396 1.00 50.14 C ATOM 525 CE1 PHE A 53 27.137 -14.496 10.393 1.00 25.21 C ATOM 526 CE2 PHE A 53 25.573 -13.477 8.900 1.00 73.32 C ATOM 527 CZ PHE A 53 26.857 -13.579 9.399 1.00 22.14 C ATOM 0 H PHE A 53 22.442 -17.980 11.848 1.00 32.32 H new ATOM 0 HA PHE A 53 23.161 -17.338 9.274 1.00 5.15 H new ATOM 0 HB2 PHE A 53 22.797 -15.590 10.827 1.00 73.13 H new ATOM 0 HB3 PHE A 53 23.919 -16.261 11.995 1.00 73.13 H new ATOM 0 HD1 PHE A 53 26.358 -16.024 11.663 1.00 3.30 H new ATOM 0 HD2 PHE A 53 23.571 -14.209 9.002 1.00 50.14 H new ATOM 0 HE1 PHE A 53 28.140 -14.578 10.786 1.00 25.21 H new ATOM 0 HE2 PHE A 53 25.350 -12.761 8.123 1.00 73.32 H new ATOM 0 HZ PHE A 53 27.640 -12.943 9.013 1.00 22.14 H new ATOM 537 N LYS A 54 25.795 -18.302 11.041 1.00 24.43 N ATOM 538 CA LYS A 54 27.151 -18.825 10.929 1.00 4.10 C ATOM 539 C LYS A 54 27.151 -20.212 10.293 1.00 54.21 C ATOM 540 O LYS A 54 28.147 -20.637 9.710 1.00 22.02 O ATOM 541 CB LYS A 54 27.813 -18.885 12.308 1.00 54.10 C ATOM 542 CG LYS A 54 27.577 -20.196 13.039 1.00 42.13 C ATOM 543 CD LYS A 54 28.184 -20.175 14.431 1.00 4.23 C ATOM 544 CE LYS A 54 29.559 -20.825 14.450 1.00 23.31 C ATOM 545 NZ LYS A 54 29.469 -22.311 14.501 1.00 52.13 N ATOM 0 H LYS A 54 25.462 -18.197 11.999 1.00 24.43 H new ATOM 0 HA LYS A 54 27.720 -18.151 10.288 1.00 4.10 H new ATOM 0 HB2 LYS A 54 28.886 -18.730 12.194 1.00 54.10 H new ATOM 0 HB3 LYS A 54 27.436 -18.065 12.919 1.00 54.10 H new ATOM 0 HG2 LYS A 54 26.506 -20.386 13.111 1.00 42.13 H new ATOM 0 HG3 LYS A 54 28.008 -21.016 12.465 1.00 42.13 H new ATOM 0 HD2 LYS A 54 28.263 -19.145 14.779 1.00 4.23 H new ATOM 0 HD3 LYS A 54 27.524 -20.697 15.125 1.00 4.23 H new ATOM 0 HE2 LYS A 54 30.115 -20.525 13.562 1.00 23.31 H new ATOM 0 HE3 LYS A 54 30.119 -20.465 15.313 1.00 23.31 H new ATOM 0 HZ1 LYS A 54 30.427 -22.717 14.513 1.00 52.13 H new ATOM 0 HZ2 LYS A 54 28.961 -22.599 15.361 1.00 52.13 H new ATOM 0 HZ3 LYS A 54 28.957 -22.657 13.664 1.00 52.13 H new ATOM 559 N GLU A 55 26.026 -20.910 10.410 1.00 15.31 N ATOM 560 CA GLU A 55 25.896 -22.248 9.845 1.00 45.12 C ATOM 561 C GLU A 55 25.722 -22.185 8.330 1.00 13.23 C ATOM 562 O GLU A 55 26.059 -23.128 7.614 1.00 3.15 O ATOM 563 CB GLU A 55 24.710 -22.980 10.476 1.00 4.42 C ATOM 564 CG GLU A 55 24.398 -24.314 9.820 1.00 12.40 C ATOM 565 CD GLU A 55 23.588 -25.230 10.717 1.00 64.32 C ATOM 566 OE1 GLU A 55 22.665 -24.732 11.395 1.00 65.41 O ATOM 567 OE2 GLU A 55 23.877 -26.445 10.740 1.00 44.42 O ATOM 0 H GLU A 55 25.192 -20.572 10.890 1.00 15.31 H new ATOM 0 HA GLU A 55 26.811 -22.797 10.065 1.00 45.12 H new ATOM 0 HB2 GLU A 55 24.917 -23.144 11.534 1.00 4.42 H new ATOM 0 HB3 GLU A 55 23.828 -22.342 10.419 1.00 4.42 H new ATOM 0 HG2 GLU A 55 23.849 -24.140 8.894 1.00 12.40 H new ATOM 0 HG3 GLU A 55 25.331 -24.809 9.549 1.00 12.40 H new ATOM 574 N LYS A 56 25.190 -21.066 7.848 1.00 30.42 N ATOM 575 CA LYS A 56 24.969 -20.878 6.419 1.00 1.13 C ATOM 576 C LYS A 56 26.167 -20.193 5.770 1.00 44.23 C ATOM 577 O LYS A 56 26.477 -20.437 4.604 1.00 24.30 O ATOM 578 CB LYS A 56 23.705 -20.049 6.183 1.00 73.40 C ATOM 579 CG LYS A 56 22.484 -20.887 5.839 1.00 44.44 C ATOM 580 CD LYS A 56 22.212 -21.938 6.903 1.00 72.14 C ATOM 581 CE LYS A 56 20.747 -22.347 6.919 1.00 12.23 C ATOM 582 NZ LYS A 56 20.574 -23.775 7.301 1.00 70.40 N ATOM 0 H LYS A 56 24.904 -20.276 8.426 1.00 30.42 H new ATOM 0 HA LYS A 56 24.843 -21.860 5.963 1.00 1.13 H new ATOM 0 HB2 LYS A 56 23.493 -19.463 7.077 1.00 73.40 H new ATOM 0 HB3 LYS A 56 23.890 -19.342 5.374 1.00 73.40 H new ATOM 0 HG2 LYS A 56 21.614 -20.239 5.736 1.00 44.44 H new ATOM 0 HG3 LYS A 56 22.635 -21.374 4.875 1.00 44.44 H new ATOM 0 HD2 LYS A 56 22.834 -22.814 6.718 1.00 72.14 H new ATOM 0 HD3 LYS A 56 22.493 -21.548 7.881 1.00 72.14 H new ATOM 0 HE2 LYS A 56 20.201 -21.715 7.620 1.00 12.23 H new ATOM 0 HE3 LYS A 56 20.312 -22.180 5.933 1.00 12.23 H new ATOM 0 HZ1 LYS A 56 19.562 -24.014 7.300 1.00 70.40 H new ATOM 0 HZ2 LYS A 56 21.073 -24.380 6.618 1.00 70.40 H new ATOM 0 HZ3 LYS A 56 20.966 -23.930 8.252 1.00 70.40 H new ATOM 596 N PHE A 57 26.838 -19.336 6.533 1.00 40.15 N ATOM 597 CA PHE A 57 28.003 -18.616 6.031 1.00 74.11 C ATOM 598 C PHE A 57 29.295 -19.267 6.518 1.00 52.45 C ATOM 599 O PHE A 57 30.383 -18.945 6.040 1.00 52.20 O ATOM 600 CB PHE A 57 27.956 -17.153 6.478 1.00 55.05 C ATOM 601 CG PHE A 57 26.778 -16.398 5.932 1.00 42.31 C ATOM 602 CD1 PHE A 57 26.674 -16.137 4.574 1.00 20.44 C ATOM 603 CD2 PHE A 57 25.776 -15.947 6.775 1.00 20.23 C ATOM 604 CE1 PHE A 57 25.591 -15.442 4.069 1.00 60.22 C ATOM 605 CE2 PHE A 57 24.691 -15.252 6.276 1.00 71.14 C ATOM 606 CZ PHE A 57 24.599 -14.999 4.921 1.00 13.34 C ATOM 0 H PHE A 57 26.595 -19.123 7.501 1.00 40.15 H new ATOM 0 HA PHE A 57 27.984 -18.657 4.942 1.00 74.11 H new ATOM 0 HB2 PHE A 57 27.929 -17.115 7.567 1.00 55.05 H new ATOM 0 HB3 PHE A 57 28.874 -16.656 6.164 1.00 55.05 H new ATOM 0 HD1 PHE A 57 27.448 -16.481 3.903 1.00 20.44 H new ATOM 0 HD2 PHE A 57 25.843 -16.141 7.835 1.00 20.23 H new ATOM 0 HE1 PHE A 57 25.521 -15.246 3.009 1.00 60.22 H new ATOM 0 HE2 PHE A 57 23.916 -14.907 6.944 1.00 71.14 H new ATOM 0 HZ PHE A 57 23.752 -14.455 4.529 1.00 13.34 H new ATOM 616 N GLY A 58 29.167 -20.184 7.471 1.00 34.11 N ATOM 617 CA GLY A 58 30.331 -20.864 8.006 1.00 32.54 C ATOM 618 C GLY A 58 31.208 -19.948 8.835 1.00 24.21 C ATOM 619 O GLY A 58 32.312 -20.323 9.228 1.00 63.31 O ATOM 0 H GLY A 58 28.278 -20.468 7.882 1.00 34.11 H new ATOM 0 HA2 GLY A 58 30.007 -21.704 8.620 1.00 32.54 H new ATOM 0 HA3 GLY A 58 30.916 -21.276 7.184 1.00 32.54 H new ATOM 623 N MET A 59 30.718 -18.741 9.100 1.00 21.33 N ATOM 624 CA MET A 59 31.466 -17.768 9.886 1.00 23.34 C ATOM 625 C MET A 59 30.571 -17.110 10.931 1.00 11.05 C ATOM 626 O MET A 59 29.411 -16.793 10.660 1.00 21.43 O ATOM 627 CB MET A 59 32.074 -16.702 8.974 1.00 43.34 C ATOM 628 CG MET A 59 32.582 -17.252 7.651 1.00 64.13 C ATOM 629 SD MET A 59 34.046 -16.385 7.054 1.00 42.41 S ATOM 630 CE MET A 59 35.174 -17.755 6.808 1.00 52.32 C ATOM 0 H MET A 59 29.806 -18.414 8.782 1.00 21.33 H new ATOM 0 HA MET A 59 32.269 -18.295 10.401 1.00 23.34 H new ATOM 0 HB2 MET A 59 31.325 -15.935 8.776 1.00 43.34 H new ATOM 0 HB3 MET A 59 32.898 -16.216 9.496 1.00 43.34 H new ATOM 0 HG2 MET A 59 32.814 -18.311 7.767 1.00 64.13 H new ATOM 0 HG3 MET A 59 31.791 -17.179 6.904 1.00 64.13 H new ATOM 0 HE1 MET A 59 36.128 -17.379 6.439 1.00 52.32 H new ATOM 0 HE2 MET A 59 35.330 -18.273 7.755 1.00 52.32 H new ATOM 0 HE3 MET A 59 34.751 -18.448 6.081 1.00 52.32 H new ATOM 640 N THR A 60 31.115 -16.905 12.127 1.00 53.22 N ATOM 641 CA THR A 60 30.365 -16.285 13.212 1.00 72.12 C ATOM 642 C THR A 60 30.053 -14.826 12.902 1.00 2.41 C ATOM 643 O THR A 60 30.338 -14.338 11.808 1.00 50.43 O ATOM 644 CB THR A 60 31.136 -16.361 14.544 1.00 63.34 C ATOM 645 OG1 THR A 60 32.262 -17.236 14.407 1.00 15.32 O ATOM 646 CG2 THR A 60 30.234 -16.859 15.663 1.00 2.44 C ATOM 0 H THR A 60 32.073 -17.160 12.368 1.00 53.22 H new ATOM 0 HA THR A 60 29.432 -16.841 13.308 1.00 72.12 H new ATOM 0 HB THR A 60 31.482 -15.359 14.797 1.00 63.34 H new ATOM 0 HG1 THR A 60 32.749 -17.278 15.257 1.00 15.32 H new ATOM 0 HG21 THR A 60 30.800 -16.904 16.593 1.00 2.44 H new ATOM 0 HG22 THR A 60 29.393 -16.177 15.783 1.00 2.44 H new ATOM 0 HG23 THR A 60 29.862 -17.853 15.415 1.00 2.44 H new ATOM 654 N LYS A 61 29.467 -14.132 13.872 1.00 43.35 N ATOM 655 CA LYS A 61 29.118 -12.725 13.703 1.00 22.33 C ATOM 656 C LYS A 61 30.369 -11.872 13.523 1.00 62.42 C ATOM 657 O LYS A 61 30.468 -11.092 12.577 1.00 50.33 O ATOM 658 CB LYS A 61 28.319 -12.229 14.911 1.00 62.45 C ATOM 659 CG LYS A 61 28.981 -12.531 16.245 1.00 43.14 C ATOM 660 CD LYS A 61 27.959 -12.901 17.304 1.00 32.51 C ATOM 661 CE LYS A 61 27.467 -11.676 18.058 1.00 4.12 C ATOM 662 NZ LYS A 61 28.223 -11.464 19.324 1.00 11.42 N ATOM 0 H LYS A 61 29.224 -14.520 14.783 1.00 43.35 H new ATOM 0 HA LYS A 61 28.505 -12.633 12.806 1.00 22.33 H new ATOM 0 HB2 LYS A 61 28.174 -11.152 14.823 1.00 62.45 H new ATOM 0 HB3 LYS A 61 27.330 -12.686 14.894 1.00 62.45 H new ATOM 0 HG2 LYS A 61 29.691 -13.349 16.123 1.00 43.14 H new ATOM 0 HG3 LYS A 61 29.549 -11.661 16.575 1.00 43.14 H new ATOM 0 HD2 LYS A 61 27.114 -13.404 16.835 1.00 32.51 H new ATOM 0 HD3 LYS A 61 28.401 -13.608 18.006 1.00 32.51 H new ATOM 0 HE2 LYS A 61 27.566 -10.795 17.424 1.00 4.12 H new ATOM 0 HE3 LYS A 61 26.406 -11.789 18.283 1.00 4.12 H new ATOM 0 HZ1 LYS A 61 27.858 -10.620 19.809 1.00 11.42 H new ATOM 0 HZ2 LYS A 61 28.108 -12.294 19.940 1.00 11.42 H new ATOM 0 HZ3 LYS A 61 29.231 -11.330 19.108 1.00 11.42 H new ATOM 676 N GLU A 62 31.323 -12.027 14.436 1.00 61.31 N ATOM 677 CA GLU A 62 32.568 -11.270 14.376 1.00 73.45 C ATOM 678 C GLU A 62 33.467 -11.791 13.258 1.00 43.32 C ATOM 679 O GLU A 62 34.242 -11.038 12.669 1.00 5.14 O ATOM 680 CB GLU A 62 33.303 -11.349 15.715 1.00 5.34 C ATOM 681 CG GLU A 62 32.796 -10.356 16.747 1.00 4.50 C ATOM 682 CD GLU A 62 33.156 -8.923 16.405 1.00 5.31 C ATOM 683 OE1 GLU A 62 32.375 -8.272 15.680 1.00 24.34 O ATOM 684 OE2 GLU A 62 34.219 -8.452 16.861 1.00 24.52 O ATOM 0 H GLU A 62 31.257 -12.670 15.225 1.00 61.31 H new ATOM 0 HA GLU A 62 32.322 -10.229 14.166 1.00 73.45 H new ATOM 0 HB2 GLU A 62 33.204 -12.358 16.115 1.00 5.34 H new ATOM 0 HB3 GLU A 62 34.366 -11.175 15.547 1.00 5.34 H new ATOM 0 HG2 GLU A 62 31.713 -10.445 16.829 1.00 4.50 H new ATOM 0 HG3 GLU A 62 33.211 -10.608 17.723 1.00 4.50 H new ATOM 691 N ALA A 63 33.358 -13.084 12.972 1.00 34.32 N ATOM 692 CA ALA A 63 34.159 -13.705 11.925 1.00 31.53 C ATOM 693 C ALA A 63 33.696 -13.260 10.542 1.00 33.41 C ATOM 694 O ALA A 63 34.498 -12.815 9.721 1.00 23.32 O ATOM 695 CB ALA A 63 34.097 -15.221 12.043 1.00 72.35 C ATOM 0 H ALA A 63 32.722 -13.722 13.451 1.00 34.32 H new ATOM 0 HA ALA A 63 35.193 -13.383 12.053 1.00 31.53 H new ATOM 0 HB1 ALA A 63 34.700 -15.672 11.255 1.00 72.35 H new ATOM 0 HB2 ALA A 63 34.484 -15.526 13.015 1.00 72.35 H new ATOM 0 HB3 ALA A 63 33.063 -15.552 11.944 1.00 72.35 H new ATOM 701 N PHE A 64 32.397 -13.383 10.291 1.00 73.44 N ATOM 702 CA PHE A 64 31.827 -12.995 9.006 1.00 51.34 C ATOM 703 C PHE A 64 32.012 -11.501 8.758 1.00 54.51 C ATOM 704 O PHE A 64 32.586 -11.094 7.748 1.00 1.43 O ATOM 705 CB PHE A 64 30.339 -13.352 8.955 1.00 44.50 C ATOM 706 CG PHE A 64 29.734 -13.202 7.589 1.00 13.20 C ATOM 707 CD1 PHE A 64 29.691 -14.275 6.714 1.00 43.12 C ATOM 708 CD2 PHE A 64 29.207 -11.987 7.180 1.00 42.52 C ATOM 709 CE1 PHE A 64 29.134 -14.140 5.455 1.00 21.01 C ATOM 710 CE2 PHE A 64 28.648 -11.846 5.924 1.00 42.12 C ATOM 711 CZ PHE A 64 28.613 -12.924 5.060 1.00 53.02 C ATOM 0 H PHE A 64 31.719 -13.748 10.960 1.00 73.44 H new ATOM 0 HA PHE A 64 32.352 -13.543 8.224 1.00 51.34 H new ATOM 0 HB2 PHE A 64 30.209 -14.381 9.291 1.00 44.50 H new ATOM 0 HB3 PHE A 64 29.797 -12.717 9.656 1.00 44.50 H new ATOM 0 HD1 PHE A 64 30.097 -15.228 7.018 1.00 43.12 H new ATOM 0 HD2 PHE A 64 29.234 -11.141 7.851 1.00 42.52 H new ATOM 0 HE1 PHE A 64 29.107 -14.984 4.782 1.00 21.01 H new ATOM 0 HE2 PHE A 64 28.239 -10.894 5.618 1.00 42.12 H new ATOM 0 HZ PHE A 64 28.179 -12.815 4.077 1.00 53.02 H new ATOM 721 N TYR A 65 31.519 -10.688 9.686 1.00 23.02 N ATOM 722 CA TYR A 65 31.626 -9.239 9.569 1.00 72.01 C ATOM 723 C TYR A 65 33.072 -8.818 9.324 1.00 11.22 C ATOM 724 O TYR A 65 33.335 -7.776 8.724 1.00 53.54 O ATOM 725 CB TYR A 65 31.094 -8.563 10.833 1.00 15.41 C ATOM 726 CG TYR A 65 29.585 -8.456 10.874 1.00 60.13 C ATOM 727 CD1 TYR A 65 28.872 -8.005 9.771 1.00 55.41 C ATOM 728 CD2 TYR A 65 28.875 -8.807 12.015 1.00 61.21 C ATOM 729 CE1 TYR A 65 27.494 -7.906 9.803 1.00 53.20 C ATOM 730 CE2 TYR A 65 27.497 -8.712 12.056 1.00 21.15 C ATOM 731 CZ TYR A 65 26.811 -8.261 10.948 1.00 23.50 C ATOM 732 OH TYR A 65 25.439 -8.165 10.985 1.00 42.44 O ATOM 0 H TYR A 65 31.041 -11.009 10.528 1.00 23.02 H new ATOM 0 HA TYR A 65 31.025 -8.924 8.716 1.00 72.01 H new ATOM 0 HB2 TYR A 65 31.434 -9.122 11.705 1.00 15.41 H new ATOM 0 HB3 TYR A 65 31.523 -7.564 10.908 1.00 15.41 H new ATOM 0 HD1 TYR A 65 29.403 -7.727 8.873 1.00 55.41 H new ATOM 0 HD2 TYR A 65 29.409 -9.160 12.885 1.00 61.21 H new ATOM 0 HE1 TYR A 65 26.955 -7.553 8.937 1.00 53.20 H new ATOM 0 HE2 TYR A 65 26.960 -8.989 12.951 1.00 21.15 H new ATOM 0 HH TYR A 65 25.114 -8.454 11.863 1.00 42.44 H new ATOM 742 N LYS A 66 34.007 -9.637 9.793 1.00 44.30 N ATOM 743 CA LYS A 66 35.428 -9.353 9.625 1.00 51.23 C ATOM 744 C LYS A 66 35.784 -9.213 8.148 1.00 35.32 C ATOM 745 O LYS A 66 36.734 -8.516 7.792 1.00 42.02 O ATOM 746 CB LYS A 66 36.269 -10.462 10.261 1.00 54.30 C ATOM 747 CG LYS A 66 37.357 -9.945 11.186 1.00 42.42 C ATOM 748 CD LYS A 66 37.514 -10.829 12.411 1.00 30.02 C ATOM 749 CE LYS A 66 38.073 -12.195 12.045 1.00 62.01 C ATOM 750 NZ LYS A 66 39.132 -12.634 12.997 1.00 74.33 N ATOM 0 H LYS A 66 33.807 -10.503 10.293 1.00 44.30 H new ATOM 0 HA LYS A 66 35.646 -8.409 10.124 1.00 51.23 H new ATOM 0 HB2 LYS A 66 35.613 -11.128 10.822 1.00 54.30 H new ATOM 0 HB3 LYS A 66 36.728 -11.057 9.471 1.00 54.30 H new ATOM 0 HG2 LYS A 66 38.303 -9.898 10.646 1.00 42.42 H new ATOM 0 HG3 LYS A 66 37.118 -8.928 11.498 1.00 42.42 H new ATOM 0 HD2 LYS A 66 38.176 -10.344 13.128 1.00 30.02 H new ATOM 0 HD3 LYS A 66 36.547 -10.949 12.900 1.00 30.02 H new ATOM 0 HE2 LYS A 66 37.266 -12.927 12.037 1.00 62.01 H new ATOM 0 HE3 LYS A 66 38.483 -12.161 11.036 1.00 62.01 H new ATOM 0 HZ1 LYS A 66 39.488 -13.569 12.713 1.00 74.33 H new ATOM 0 HZ2 LYS A 66 39.914 -11.948 12.987 1.00 74.33 H new ATOM 0 HZ3 LYS A 66 38.734 -12.691 13.956 1.00 74.33 H new ATOM 764 N LEU A 67 35.015 -9.879 7.294 1.00 14.53 N ATOM 765 CA LEU A 67 35.248 -9.828 5.855 1.00 32.21 C ATOM 766 C LEU A 67 34.904 -8.451 5.296 1.00 51.12 C ATOM 767 O LEU A 67 34.187 -7.664 5.915 1.00 42.15 O ATOM 768 CB LEU A 67 34.419 -10.900 5.146 1.00 65.32 C ATOM 769 CG LEU A 67 35.028 -12.303 5.108 1.00 3.44 C ATOM 770 CD1 LEU A 67 34.033 -13.302 4.538 1.00 53.00 C ATOM 771 CD2 LEU A 67 36.314 -12.304 4.295 1.00 63.32 C ATOM 0 H LEU A 67 34.225 -10.461 7.573 1.00 14.53 H new ATOM 0 HA LEU A 67 36.306 -10.018 5.676 1.00 32.21 H new ATOM 0 HB2 LEU A 67 33.446 -10.961 5.634 1.00 65.32 H new ATOM 0 HB3 LEU A 67 34.241 -10.575 4.121 1.00 65.32 H new ATOM 0 HG LEU A 67 35.267 -12.602 6.128 1.00 3.44 H new ATOM 0 HD11 LEU A 67 34.484 -14.294 4.519 1.00 53.00 H new ATOM 0 HD12 LEU A 67 33.139 -13.322 5.162 1.00 53.00 H new ATOM 0 HD13 LEU A 67 33.762 -13.007 3.524 1.00 53.00 H new ATOM 0 HD21 LEU A 67 36.733 -13.310 4.279 1.00 63.32 H new ATOM 0 HD22 LEU A 67 36.100 -11.983 3.275 1.00 63.32 H new ATOM 0 HD23 LEU A 67 37.031 -11.619 4.748 1.00 63.32 H new ATOM 783 N PRO A 68 35.423 -8.152 4.096 1.00 21.13 N ATOM 784 CA PRO A 68 35.183 -6.872 3.426 1.00 51.32 C ATOM 785 C PRO A 68 33.742 -6.730 2.946 1.00 40.54 C ATOM 786 O PRO A 68 32.961 -7.679 3.006 1.00 34.02 O ATOM 787 CB PRO A 68 36.142 -6.909 2.233 1.00 33.12 C ATOM 788 CG PRO A 68 36.355 -8.359 1.964 1.00 43.22 C ATOM 789 CD PRO A 68 36.286 -9.043 3.302 1.00 41.35 C ATOM 0 HA PRO A 68 35.345 -6.026 4.094 1.00 51.32 H new ATOM 0 HB2 PRO A 68 35.716 -6.404 1.366 1.00 33.12 H new ATOM 0 HB3 PRO A 68 37.081 -6.407 2.464 1.00 33.12 H new ATOM 0 HG2 PRO A 68 35.593 -8.747 1.288 1.00 43.22 H new ATOM 0 HG3 PRO A 68 37.320 -8.530 1.488 1.00 43.22 H new ATOM 0 HD2 PRO A 68 35.863 -10.044 3.220 1.00 41.35 H new ATOM 0 HD3 PRO A 68 37.274 -9.150 3.750 1.00 41.35 H new ATOM 797 N LYS A 69 33.396 -5.539 2.469 1.00 1.42 N ATOM 798 CA LYS A 69 32.050 -5.273 1.977 1.00 53.44 C ATOM 799 C LYS A 69 31.761 -6.083 0.717 1.00 30.40 C ATOM 800 O LYS A 69 30.721 -6.735 0.612 1.00 5.30 O ATOM 801 CB LYS A 69 31.876 -3.780 1.686 1.00 4.01 C ATOM 802 CG LYS A 69 31.175 -3.022 2.799 1.00 44.51 C ATOM 803 CD LYS A 69 32.122 -2.716 3.948 1.00 43.30 C ATOM 804 CE LYS A 69 32.804 -1.368 3.764 1.00 25.45 C ATOM 805 NZ LYS A 69 33.525 -0.939 4.995 1.00 72.23 N ATOM 0 H LYS A 69 34.030 -4.742 2.413 1.00 1.42 H new ATOM 0 HA LYS A 69 31.343 -5.571 2.751 1.00 53.44 H new ATOM 0 HB2 LYS A 69 32.856 -3.335 1.516 1.00 4.01 H new ATOM 0 HB3 LYS A 69 31.308 -3.662 0.763 1.00 4.01 H new ATOM 0 HG2 LYS A 69 30.766 -2.091 2.405 1.00 44.51 H new ATOM 0 HG3 LYS A 69 30.333 -3.609 3.166 1.00 44.51 H new ATOM 0 HD2 LYS A 69 31.569 -2.720 4.887 1.00 43.30 H new ATOM 0 HD3 LYS A 69 32.876 -3.500 4.018 1.00 43.30 H new ATOM 0 HE2 LYS A 69 33.507 -1.427 2.933 1.00 25.45 H new ATOM 0 HE3 LYS A 69 32.059 -0.617 3.499 1.00 25.45 H new ATOM 0 HZ1 LYS A 69 33.976 -0.017 4.829 1.00 72.23 H new ATOM 0 HZ2 LYS A 69 32.850 -0.858 5.782 1.00 72.23 H new ATOM 0 HZ3 LYS A 69 34.253 -1.642 5.234 1.00 72.23 H new ATOM 819 N TRP A 70 32.686 -6.040 -0.234 1.00 43.43 N ATOM 820 CA TRP A 70 32.531 -6.772 -1.486 1.00 32.00 C ATOM 821 C TRP A 70 32.312 -8.258 -1.224 1.00 13.25 C ATOM 822 O TRP A 70 31.475 -8.895 -1.864 1.00 15.11 O ATOM 823 CB TRP A 70 33.762 -6.575 -2.372 1.00 53.32 C ATOM 824 CG TRP A 70 34.937 -7.402 -1.951 1.00 31.25 C ATOM 825 CD1 TRP A 70 35.906 -7.053 -1.054 1.00 4.20 C ATOM 826 CD2 TRP A 70 35.268 -8.718 -2.409 1.00 5.33 C ATOM 827 NE1 TRP A 70 36.820 -8.071 -0.928 1.00 24.05 N ATOM 828 CE2 TRP A 70 36.450 -9.104 -1.748 1.00 22.13 C ATOM 829 CE3 TRP A 70 34.680 -9.607 -3.312 1.00 31.43 C ATOM 830 CZ2 TRP A 70 37.054 -10.340 -1.963 1.00 32.31 C ATOM 831 CZ3 TRP A 70 35.280 -10.834 -3.525 1.00 50.01 C ATOM 832 CH2 TRP A 70 36.456 -11.191 -2.852 1.00 72.35 C ATOM 0 H TRP A 70 33.552 -5.506 -0.163 1.00 43.43 H new ATOM 0 HA TRP A 70 31.654 -6.379 -2.001 1.00 32.00 H new ATOM 0 HB2 TRP A 70 33.503 -6.823 -3.401 1.00 53.32 H new ATOM 0 HB3 TRP A 70 34.045 -5.522 -2.359 1.00 53.32 H new ATOM 0 HD1 TRP A 70 35.948 -6.114 -0.522 1.00 4.20 H new ATOM 0 HE1 TRP A 70 37.641 -8.059 -0.322 1.00 24.05 H new ATOM 0 HE3 TRP A 70 33.773 -9.340 -3.834 1.00 31.43 H new ATOM 0 HZ2 TRP A 70 37.961 -10.617 -1.447 1.00 32.31 H new ATOM 0 HZ3 TRP A 70 34.835 -11.529 -4.222 1.00 50.01 H new ATOM 0 HH2 TRP A 70 36.900 -12.158 -3.039 1.00 72.35 H new ATOM 843 N LYS A 71 33.068 -8.806 -0.278 1.00 52.52 N ATOM 844 CA LYS A 71 32.955 -10.217 0.070 1.00 2.13 C ATOM 845 C LYS A 71 31.717 -10.469 0.924 1.00 45.05 C ATOM 846 O LYS A 71 31.074 -11.512 0.807 1.00 31.50 O ATOM 847 CB LYS A 71 34.207 -10.680 0.819 1.00 44.32 C ATOM 848 CG LYS A 71 34.249 -12.177 1.068 1.00 73.43 C ATOM 849 CD LYS A 71 35.317 -12.854 0.224 1.00 13.30 C ATOM 850 CE LYS A 71 35.668 -14.230 0.769 1.00 34.00 C ATOM 851 NZ LYS A 71 35.616 -15.275 -0.291 1.00 43.24 N ATOM 0 H LYS A 71 33.766 -8.294 0.261 1.00 52.52 H new ATOM 0 HA LYS A 71 32.860 -10.787 -0.854 1.00 2.13 H new ATOM 0 HB2 LYS A 71 35.089 -10.390 0.248 1.00 44.32 H new ATOM 0 HB3 LYS A 71 34.261 -10.160 1.775 1.00 44.32 H new ATOM 0 HG2 LYS A 71 34.445 -12.366 2.124 1.00 73.43 H new ATOM 0 HG3 LYS A 71 33.275 -12.612 0.842 1.00 73.43 H new ATOM 0 HD2 LYS A 71 34.965 -12.947 -0.804 1.00 13.30 H new ATOM 0 HD3 LYS A 71 36.212 -12.232 0.200 1.00 13.30 H new ATOM 0 HE2 LYS A 71 36.667 -14.204 1.205 1.00 34.00 H new ATOM 0 HE3 LYS A 71 34.977 -14.491 1.570 1.00 34.00 H new ATOM 0 HZ1 LYS A 71 35.861 -16.198 0.120 1.00 43.24 H new ATOM 0 HZ2 LYS A 71 34.657 -15.317 -0.690 1.00 43.24 H new ATOM 0 HZ3 LYS A 71 36.294 -15.040 -1.044 1.00 43.24 H new ATOM 865 N GLN A 72 31.389 -9.508 1.781 1.00 31.32 N ATOM 866 CA GLN A 72 30.227 -9.627 2.653 1.00 22.41 C ATOM 867 C GLN A 72 28.942 -9.725 1.838 1.00 12.22 C ATOM 868 O GLN A 72 28.033 -10.480 2.182 1.00 2.40 O ATOM 869 CB GLN A 72 30.152 -8.432 3.605 1.00 52.21 C ATOM 870 CG GLN A 72 30.746 -8.707 4.977 1.00 73.12 C ATOM 871 CD GLN A 72 30.006 -7.988 6.087 1.00 22.13 C ATOM 872 OE1 GLN A 72 28.883 -8.352 6.439 1.00 63.45 O ATOM 873 NE2 GLN A 72 30.632 -6.960 6.648 1.00 24.41 N ATOM 0 H GLN A 72 31.911 -8.639 1.890 1.00 31.32 H new ATOM 0 HA GLN A 72 30.335 -10.541 3.237 1.00 22.41 H new ATOM 0 HB2 GLN A 72 30.674 -7.587 3.155 1.00 52.21 H new ATOM 0 HB3 GLN A 72 29.109 -8.137 3.723 1.00 52.21 H new ATOM 0 HG2 GLN A 72 30.727 -9.780 5.169 1.00 73.12 H new ATOM 0 HG3 GLN A 72 31.792 -8.400 4.984 1.00 73.12 H new ATOM 0 HE21 GLN A 72 31.562 -6.692 6.326 1.00 24.41 H new ATOM 0 HE22 GLN A 72 30.183 -6.439 7.401 1.00 24.41 H new ATOM 882 N ASN A 73 28.874 -8.957 0.755 1.00 13.35 N ATOM 883 CA ASN A 73 27.698 -8.957 -0.108 1.00 44.33 C ATOM 884 C ASN A 73 27.658 -10.215 -0.970 1.00 54.32 C ATOM 885 O ASN A 73 26.586 -10.669 -1.375 1.00 23.23 O ATOM 886 CB ASN A 73 27.697 -7.714 -1.001 1.00 52.31 C ATOM 887 CG ASN A 73 26.632 -6.713 -0.595 1.00 44.15 C ATOM 888 OD1 ASN A 73 26.313 -6.573 0.585 1.00 3.20 O ATOM 889 ND2 ASN A 73 26.076 -6.011 -1.576 1.00 3.22 N ATOM 0 H ASN A 73 29.618 -8.328 0.455 1.00 13.35 H new ATOM 0 HA ASN A 73 26.811 -8.943 0.526 1.00 44.33 H new ATOM 0 HB2 ASN A 73 28.676 -7.237 -0.957 1.00 52.31 H new ATOM 0 HB3 ASN A 73 27.535 -8.014 -2.036 1.00 52.31 H new ATOM 0 HD21 ASN A 73 25.353 -5.323 -1.365 1.00 3.22 H new ATOM 0 HD22 ASN A 73 26.372 -6.160 -2.541 1.00 3.22 H new ATOM 896 N LYS A 74 28.830 -10.775 -1.248 1.00 53.00 N ATOM 897 CA LYS A 74 28.930 -11.982 -2.059 1.00 53.35 C ATOM 898 C LYS A 74 28.427 -13.199 -1.289 1.00 43.55 C ATOM 899 O LYS A 74 27.564 -13.936 -1.767 1.00 2.43 O ATOM 900 CB LYS A 74 30.377 -12.206 -2.501 1.00 61.44 C ATOM 901 CG LYS A 74 30.867 -11.192 -3.520 1.00 75.10 C ATOM 902 CD LYS A 74 30.570 -11.640 -4.941 1.00 63.43 C ATOM 903 CE LYS A 74 31.714 -12.460 -5.518 1.00 40.22 C ATOM 904 NZ LYS A 74 31.513 -12.753 -6.964 1.00 15.31 N ATOM 0 H LYS A 74 29.726 -10.411 -0.923 1.00 53.00 H new ATOM 0 HA LYS A 74 28.304 -11.849 -2.941 1.00 53.35 H new ATOM 0 HB2 LYS A 74 31.025 -12.170 -1.625 1.00 61.44 H new ATOM 0 HB3 LYS A 74 30.468 -13.206 -2.924 1.00 61.44 H new ATOM 0 HG2 LYS A 74 30.391 -10.229 -3.334 1.00 75.10 H new ATOM 0 HG3 LYS A 74 31.940 -11.045 -3.401 1.00 75.10 H new ATOM 0 HD2 LYS A 74 29.655 -12.232 -4.953 1.00 63.43 H new ATOM 0 HD3 LYS A 74 30.394 -10.767 -5.569 1.00 63.43 H new ATOM 0 HE2 LYS A 74 32.651 -11.920 -5.384 1.00 40.22 H new ATOM 0 HE3 LYS A 74 31.804 -13.396 -4.967 1.00 40.22 H new ATOM 0 HZ1 LYS A 74 32.314 -13.313 -7.319 1.00 15.31 H new ATOM 0 HZ2 LYS A 74 30.632 -13.290 -7.090 1.00 15.31 H new ATOM 0 HZ3 LYS A 74 31.453 -11.860 -7.494 1.00 15.31 H new ATOM 918 N PHE A 75 28.972 -13.402 -0.094 1.00 75.53 N ATOM 919 CA PHE A 75 28.578 -14.530 0.743 1.00 55.20 C ATOM 920 C PHE A 75 27.096 -14.453 1.097 1.00 52.32 C ATOM 921 O PHE A 75 26.392 -15.463 1.098 1.00 21.43 O ATOM 922 CB PHE A 75 29.419 -14.561 2.021 1.00 34.45 C ATOM 923 CG PHE A 75 30.249 -15.804 2.162 1.00 25.20 C ATOM 924 CD1 PHE A 75 29.703 -17.051 1.906 1.00 4.22 C ATOM 925 CD2 PHE A 75 31.577 -15.724 2.549 1.00 22.54 C ATOM 926 CE1 PHE A 75 30.466 -18.197 2.034 1.00 34.23 C ATOM 927 CE2 PHE A 75 32.345 -16.867 2.678 1.00 2.05 C ATOM 928 CZ PHE A 75 31.788 -18.104 2.422 1.00 61.41 C ATOM 0 H PHE A 75 29.687 -12.801 0.316 1.00 75.53 H new ATOM 0 HA PHE A 75 28.751 -15.447 0.180 1.00 55.20 H new ATOM 0 HB2 PHE A 75 30.076 -13.691 2.035 1.00 34.45 H new ATOM 0 HB3 PHE A 75 28.758 -14.475 2.884 1.00 34.45 H new ATOM 0 HD1 PHE A 75 28.669 -17.129 1.603 1.00 4.22 H new ATOM 0 HD2 PHE A 75 32.017 -14.759 2.752 1.00 22.54 H new ATOM 0 HE1 PHE A 75 30.029 -19.163 1.831 1.00 34.23 H new ATOM 0 HE2 PHE A 75 33.380 -16.792 2.979 1.00 2.05 H new ATOM 0 HZ PHE A 75 32.385 -18.998 2.525 1.00 61.41 H new ATOM 938 N LYS A 76 26.627 -13.247 1.398 1.00 1.23 N ATOM 939 CA LYS A 76 25.229 -13.035 1.754 1.00 42.45 C ATOM 940 C LYS A 76 24.304 -13.756 0.778 1.00 1.14 C ATOM 941 O LYS A 76 23.537 -14.634 1.171 1.00 72.51 O ATOM 942 CB LYS A 76 24.905 -11.538 1.768 1.00 65.54 C ATOM 943 CG LYS A 76 24.989 -10.912 3.149 1.00 22.11 C ATOM 944 CD LYS A 76 25.196 -9.408 3.067 1.00 64.53 C ATOM 945 CE LYS A 76 26.112 -8.912 4.176 1.00 65.02 C ATOM 946 NZ LYS A 76 25.752 -7.535 4.616 1.00 3.13 N ATOM 0 H LYS A 76 27.196 -12.400 1.402 1.00 1.23 H new ATOM 0 HA LYS A 76 25.068 -13.445 2.751 1.00 42.45 H new ATOM 0 HB2 LYS A 76 25.593 -11.019 1.100 1.00 65.54 H new ATOM 0 HB3 LYS A 76 23.901 -11.388 1.370 1.00 65.54 H new ATOM 0 HG2 LYS A 76 24.074 -11.125 3.702 1.00 22.11 H new ATOM 0 HG3 LYS A 76 25.810 -11.364 3.705 1.00 22.11 H new ATOM 0 HD2 LYS A 76 25.623 -9.150 2.098 1.00 64.53 H new ATOM 0 HD3 LYS A 76 24.233 -8.902 3.135 1.00 64.53 H new ATOM 0 HE2 LYS A 76 26.055 -9.592 5.026 1.00 65.02 H new ATOM 0 HE3 LYS A 76 27.145 -8.924 3.827 1.00 65.02 H new ATOM 0 HZ1 LYS A 76 26.614 -6.958 4.690 1.00 3.13 H new ATOM 0 HZ2 LYS A 76 25.107 -7.106 3.922 1.00 3.13 H new ATOM 0 HZ3 LYS A 76 25.283 -7.578 5.543 1.00 3.13 H new ATOM 960 N MET A 77 24.385 -13.380 -0.494 1.00 34.12 N ATOM 961 CA MET A 77 23.556 -13.994 -1.525 1.00 73.41 C ATOM 962 C MET A 77 23.967 -15.444 -1.761 1.00 42.12 C ATOM 963 O MET A 77 23.156 -16.269 -2.179 1.00 71.30 O ATOM 964 CB MET A 77 23.660 -13.204 -2.830 1.00 10.52 C ATOM 965 CG MET A 77 25.089 -12.999 -3.304 1.00 44.23 C ATOM 966 SD MET A 77 25.183 -12.065 -4.845 1.00 32.22 S ATOM 967 CE MET A 77 26.234 -13.134 -5.824 1.00 72.43 C ATOM 0 H MET A 77 25.015 -12.654 -0.835 1.00 34.12 H new ATOM 0 HA MET A 77 22.522 -13.979 -1.181 1.00 73.41 H new ATOM 0 HB2 MET A 77 23.100 -13.725 -3.606 1.00 10.52 H new ATOM 0 HB3 MET A 77 23.188 -12.231 -2.695 1.00 10.52 H new ATOM 0 HG2 MET A 77 25.652 -12.476 -2.532 1.00 44.23 H new ATOM 0 HG3 MET A 77 25.565 -13.970 -3.443 1.00 44.23 H new ATOM 0 HE1 MET A 77 26.386 -12.692 -6.809 1.00 72.43 H new ATOM 0 HE2 MET A 77 27.197 -13.253 -5.327 1.00 72.43 H new ATOM 0 HE3 MET A 77 25.760 -14.109 -5.934 1.00 72.43 H new ATOM 977 N ALA A 78 25.233 -15.747 -1.490 1.00 2.02 N ATOM 978 CA ALA A 78 25.751 -17.098 -1.671 1.00 53.03 C ATOM 979 C ALA A 78 24.899 -18.118 -0.924 1.00 55.32 C ATOM 980 O ALA A 78 24.612 -19.199 -1.439 1.00 22.03 O ATOM 981 CB ALA A 78 27.198 -17.175 -1.207 1.00 52.45 C ATOM 0 H ALA A 78 25.918 -15.075 -1.144 1.00 2.02 H new ATOM 0 HA ALA A 78 25.708 -17.337 -2.734 1.00 53.03 H new ATOM 0 HB1 ALA A 78 27.572 -18.189 -1.348 1.00 52.45 H new ATOM 0 HB2 ALA A 78 27.804 -16.481 -1.789 1.00 52.45 H new ATOM 0 HB3 ALA A 78 27.256 -16.910 -0.151 1.00 52.45 H new ATOM 987 N VAL A 79 24.496 -17.767 0.293 1.00 11.00 N ATOM 988 CA VAL A 79 23.676 -18.652 1.112 1.00 54.12 C ATOM 989 C VAL A 79 22.195 -18.312 0.974 1.00 24.22 C ATOM 990 O VAL A 79 21.371 -18.757 1.773 1.00 2.02 O ATOM 991 CB VAL A 79 24.074 -18.572 2.598 1.00 51.35 C ATOM 992 CG1 VAL A 79 25.579 -18.402 2.739 1.00 43.43 C ATOM 993 CG2 VAL A 79 23.334 -17.435 3.286 1.00 0.55 C ATOM 0 H VAL A 79 24.724 -16.876 0.734 1.00 11.00 H new ATOM 0 HA VAL A 79 23.849 -19.666 0.752 1.00 54.12 H new ATOM 0 HB VAL A 79 23.791 -19.506 3.083 1.00 51.35 H new ATOM 0 HG11 VAL A 79 25.842 -18.347 3.795 1.00 43.43 H new ATOM 0 HG12 VAL A 79 26.086 -19.252 2.283 1.00 43.43 H new ATOM 0 HG13 VAL A 79 25.890 -17.484 2.240 1.00 43.43 H new ATOM 0 HG21 VAL A 79 23.627 -17.393 4.335 1.00 0.55 H new ATOM 0 HG22 VAL A 79 23.585 -16.492 2.801 1.00 0.55 H new ATOM 0 HG23 VAL A 79 22.260 -17.605 3.216 1.00 0.55 H new ATOM 1003 N GLN A 80 21.867 -17.523 -0.043 1.00 21.52 N ATOM 1004 CA GLN A 80 20.486 -17.124 -0.284 1.00 51.03 C ATOM 1005 C GLN A 80 19.997 -16.171 0.801 1.00 13.31 C ATOM 1006 O GLN A 80 18.812 -16.152 1.139 1.00 51.41 O ATOM 1007 CB GLN A 80 19.580 -18.355 -0.343 1.00 72.43 C ATOM 1008 CG GLN A 80 20.181 -19.516 -1.121 1.00 54.54 C ATOM 1009 CD GLN A 80 19.189 -20.154 -2.074 1.00 62.41 C ATOM 1010 OE1 GLN A 80 18.267 -20.853 -1.652 1.00 72.03 O ATOM 1011 NE2 GLN A 80 19.373 -19.918 -3.367 1.00 65.22 N ATOM 0 H GLN A 80 22.538 -17.147 -0.713 1.00 21.52 H new ATOM 0 HA GLN A 80 20.447 -16.606 -1.242 1.00 51.03 H new ATOM 0 HB2 GLN A 80 19.361 -18.684 0.673 1.00 72.43 H new ATOM 0 HB3 GLN A 80 18.630 -18.075 -0.799 1.00 72.43 H new ATOM 0 HG2 GLN A 80 21.045 -19.163 -1.684 1.00 54.54 H new ATOM 0 HG3 GLN A 80 20.543 -20.269 -0.421 1.00 54.54 H new ATOM 0 HE21 GLN A 80 20.150 -19.333 -3.673 1.00 65.22 H new ATOM 0 HE22 GLN A 80 18.737 -20.322 -4.055 1.00 65.22 H new ATOM 1020 N LEU A 81 20.916 -15.380 1.345 1.00 71.23 N ATOM 1021 CA LEU A 81 20.579 -14.423 2.393 1.00 74.14 C ATOM 1022 C LEU A 81 21.008 -13.013 2.002 1.00 61.53 C ATOM 1023 O LEU A 81 22.159 -12.624 2.205 1.00 71.51 O ATOM 1024 CB LEU A 81 21.244 -14.825 3.711 1.00 45.14 C ATOM 1025 CG LEU A 81 20.538 -15.917 4.513 1.00 10.04 C ATOM 1026 CD1 LEU A 81 21.215 -16.112 5.861 1.00 5.42 C ATOM 1027 CD2 LEU A 81 19.066 -15.576 4.699 1.00 24.21 C ATOM 0 H LEU A 81 21.900 -15.383 1.077 1.00 71.23 H new ATOM 0 HA LEU A 81 19.497 -14.430 2.523 1.00 74.14 H new ATOM 0 HB2 LEU A 81 22.259 -15.159 3.496 1.00 45.14 H new ATOM 0 HB3 LEU A 81 21.327 -13.938 4.338 1.00 45.14 H new ATOM 0 HG LEU A 81 20.607 -16.851 3.956 1.00 10.04 H new ATOM 0 HD11 LEU A 81 20.698 -16.894 6.418 1.00 5.42 H new ATOM 0 HD12 LEU A 81 22.254 -16.402 5.708 1.00 5.42 H new ATOM 0 HD13 LEU A 81 21.178 -15.180 6.425 1.00 5.42 H new ATOM 0 HD21 LEU A 81 18.579 -16.365 5.272 1.00 24.21 H new ATOM 0 HD22 LEU A 81 18.976 -14.631 5.234 1.00 24.21 H new ATOM 0 HD23 LEU A 81 18.587 -15.488 3.724 1.00 24.21 H new ATOM 1039 N PHE A 82 20.076 -12.251 1.441 1.00 2.32 N ATOM 1040 CA PHE A 82 20.358 -10.882 1.022 1.00 52.33 C ATOM 1041 C PHE A 82 19.094 -10.029 1.066 1.00 12.53 C ATOM 1042 O PHE A 82 18.894 -9.246 1.994 1.00 3.33 O ATOM 1043 CB PHE A 82 20.946 -10.869 -0.390 1.00 43.14 C ATOM 1044 CG PHE A 82 21.535 -9.545 -0.782 1.00 50.12 C ATOM 1045 CD1 PHE A 82 20.797 -8.634 -1.522 1.00 35.33 C ATOM 1046 CD2 PHE A 82 22.828 -9.209 -0.412 1.00 72.23 C ATOM 1047 CE1 PHE A 82 21.336 -7.415 -1.884 1.00 55.21 C ATOM 1048 CE2 PHE A 82 23.371 -7.991 -0.772 1.00 2.13 C ATOM 1049 CZ PHE A 82 22.624 -7.093 -1.509 1.00 45.45 C ATOM 0 H PHE A 82 19.119 -12.557 1.266 1.00 2.32 H new ATOM 0 HA PHE A 82 21.085 -10.459 1.715 1.00 52.33 H new ATOM 0 HB2 PHE A 82 21.717 -11.636 -0.461 1.00 43.14 H new ATOM 0 HB3 PHE A 82 20.165 -11.135 -1.102 1.00 43.14 H new ATOM 0 HD1 PHE A 82 19.788 -8.881 -1.819 1.00 35.33 H new ATOM 0 HD2 PHE A 82 23.417 -9.907 0.164 1.00 72.23 H new ATOM 0 HE1 PHE A 82 20.750 -6.714 -2.460 1.00 55.21 H new ATOM 0 HE2 PHE A 82 24.379 -7.741 -0.477 1.00 2.13 H new ATOM 0 HZ PHE A 82 23.047 -6.140 -1.791 1.00 45.45 H new TER 1059 PHE A 82