USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 480 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 1 LEU N :NH3+ -166:sc= -0.035 (180deg=-0.423) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -151:sc= 0.207 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.6) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0135 (180deg=-0.336) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= 0.655 (180deg=0.443) USER MOD Single : A 21 THR OG1 : rot -160:sc=-0.00486 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 100:sc= -0.219 USER MOD Single : A 30 THR OG1 : rot -140:sc= 0.00239 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc=-0.00878 (180deg=-0.192) USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= 0.36 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.063 K(o=-0.063,f=-0.96) USER MOD Single : A 42 ASN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.318 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= -0.103 (180deg=-0.615) USER MOD Single : A 56 THR OG1 : rot 72:sc= 0.491 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -125:sc= -0.15 (180deg=-0.515) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.460 3.869 -9.695 1.00 1.49 N ATOM 2 CA LEU A 1 2.017 3.544 -9.888 1.00 1.46 C ATOM 3 C LEU A 1 1.339 3.503 -8.516 1.00 1.14 C ATOM 4 O LEU A 1 0.410 4.242 -8.255 1.00 1.26 O ATOM 5 CB LEU A 1 1.847 2.162 -10.573 1.00 1.55 C ATOM 6 CG LEU A 1 2.495 2.122 -11.988 1.00 1.96 C ATOM 7 CD1 LEU A 1 2.370 0.686 -12.542 1.00 2.19 C ATOM 8 CD2 LEU A 1 1.753 3.067 -12.960 1.00 2.18 C ATOM 0 H1 LEU A 1 3.882 4.133 -10.608 1.00 1.49 H new ATOM 0 H2 LEU A 1 3.551 4.663 -9.029 1.00 1.49 H new ATOM 0 H3 LEU A 1 3.955 3.038 -9.313 1.00 1.49 H new ATOM 0 HA LEU A 1 1.565 4.305 -10.524 1.00 1.46 H new ATOM 0 HB2 LEU A 1 2.297 1.391 -9.948 1.00 1.55 H new ATOM 0 HB3 LEU A 1 0.786 1.927 -10.655 1.00 1.55 H new ATOM 0 HG LEU A 1 3.536 2.434 -11.904 1.00 1.96 H new ATOM 0 HD11 LEU A 1 2.819 0.638 -13.534 1.00 2.19 H new ATOM 0 HD12 LEU A 1 2.885 -0.007 -11.877 1.00 2.19 H new ATOM 0 HD13 LEU A 1 1.317 0.411 -12.607 1.00 2.19 H new ATOM 0 HD21 LEU A 1 2.224 3.022 -13.942 1.00 2.18 H new ATOM 0 HD22 LEU A 1 0.711 2.759 -13.043 1.00 2.18 H new ATOM 0 HD23 LEU A 1 1.800 4.088 -12.582 1.00 2.18 H new ATOM 22 N THR A 2 1.839 2.623 -7.685 1.00 0.85 N ATOM 23 CA THR A 2 1.295 2.452 -6.300 1.00 0.65 C ATOM 24 C THR A 2 2.337 2.851 -5.227 1.00 0.66 C ATOM 25 O THR A 2 1.965 3.528 -4.289 1.00 0.89 O ATOM 26 CB THR A 2 0.856 0.965 -6.129 1.00 0.64 C ATOM 27 OG1 THR A 2 -0.083 0.736 -7.172 1.00 0.75 O ATOM 28 CG2 THR A 2 0.017 0.745 -4.852 1.00 0.75 C ATOM 0 H THR A 2 2.617 2.003 -7.912 1.00 0.85 H new ATOM 0 HA THR A 2 0.438 3.112 -6.162 1.00 0.65 H new ATOM 0 HB THR A 2 1.747 0.337 -6.114 1.00 0.64 H new ATOM 0 HG1 THR A 2 -0.403 -0.189 -7.126 1.00 0.75 H new ATOM 0 HG21 THR A 2 -0.264 -0.305 -4.778 1.00 0.75 H new ATOM 0 HG22 THR A 2 0.604 1.026 -3.978 1.00 0.75 H new ATOM 0 HG23 THR A 2 -0.882 1.359 -4.897 1.00 0.75 H new ATOM 36 N PRO A 3 3.590 2.454 -5.354 1.00 0.63 N ATOM 37 CA PRO A 3 4.646 2.795 -4.366 1.00 0.72 C ATOM 38 C PRO A 3 5.389 4.066 -4.826 1.00 0.70 C ATOM 39 O PRO A 3 6.591 4.070 -5.013 1.00 0.81 O ATOM 40 CB PRO A 3 5.484 1.528 -4.351 1.00 0.82 C ATOM 41 CG PRO A 3 5.541 1.161 -5.863 1.00 0.79 C ATOM 42 CD PRO A 3 4.163 1.605 -6.441 1.00 0.77 C ATOM 0 HA PRO A 3 4.306 3.047 -3.362 1.00 0.72 H new ATOM 0 HB2 PRO A 3 6.477 1.700 -3.935 1.00 0.82 H new ATOM 0 HB3 PRO A 3 5.022 0.740 -3.757 1.00 0.82 H new ATOM 0 HG2 PRO A 3 6.362 1.675 -6.363 1.00 0.79 H new ATOM 0 HG3 PRO A 3 5.701 0.092 -6.003 1.00 0.79 H new ATOM 0 HD2 PRO A 3 4.278 2.164 -7.370 1.00 0.77 H new ATOM 0 HD3 PRO A 3 3.525 0.749 -6.661 1.00 0.77 H new ATOM 50 N ALA A 4 4.617 5.111 -4.986 1.00 0.69 N ATOM 51 CA ALA A 4 5.156 6.434 -5.429 1.00 0.71 C ATOM 52 C ALA A 4 4.938 7.483 -4.336 1.00 0.55 C ATOM 53 O ALA A 4 4.362 7.205 -3.301 1.00 0.67 O ATOM 54 CB ALA A 4 4.428 6.846 -6.718 1.00 0.88 C ATOM 0 H ALA A 4 3.610 5.102 -4.824 1.00 0.69 H new ATOM 0 HA ALA A 4 6.227 6.358 -5.617 1.00 0.71 H new ATOM 0 HB1 ALA A 4 4.807 7.810 -7.058 1.00 0.88 H new ATOM 0 HB2 ALA A 4 4.601 6.095 -7.489 1.00 0.88 H new ATOM 0 HB3 ALA A 4 3.359 6.925 -6.522 1.00 0.88 H new ATOM 60 N VAL A 5 5.419 8.667 -4.618 1.00 0.50 N ATOM 61 CA VAL A 5 5.286 9.807 -3.661 1.00 0.46 C ATOM 62 C VAL A 5 4.322 10.816 -4.306 1.00 0.44 C ATOM 63 O VAL A 5 4.224 10.896 -5.515 1.00 0.48 O ATOM 64 CB VAL A 5 6.704 10.422 -3.432 1.00 0.64 C ATOM 65 CG1 VAL A 5 7.295 10.968 -4.752 1.00 0.84 C ATOM 66 CG2 VAL A 5 6.644 11.567 -2.394 1.00 0.93 C ATOM 0 H VAL A 5 5.906 8.895 -5.485 1.00 0.50 H new ATOM 0 HA VAL A 5 4.894 9.502 -2.691 1.00 0.46 H new ATOM 0 HB VAL A 5 7.346 9.625 -3.057 1.00 0.64 H new ATOM 0 HG11 VAL A 5 8.282 11.390 -4.562 1.00 0.84 H new ATOM 0 HG12 VAL A 5 7.380 10.157 -5.475 1.00 0.84 H new ATOM 0 HG13 VAL A 5 6.640 11.743 -5.151 1.00 0.84 H new ATOM 0 HG21 VAL A 5 7.642 11.980 -2.250 1.00 0.93 H new ATOM 0 HG22 VAL A 5 5.976 12.349 -2.753 1.00 0.93 H new ATOM 0 HG23 VAL A 5 6.272 11.179 -1.446 1.00 0.93 H new ATOM 76 N THR A 6 3.642 11.557 -3.471 1.00 0.46 N ATOM 77 CA THR A 6 2.665 12.581 -3.953 1.00 0.56 C ATOM 78 C THR A 6 2.942 13.895 -3.221 1.00 0.51 C ATOM 79 O THR A 6 3.686 13.916 -2.263 1.00 0.50 O ATOM 80 CB THR A 6 1.241 12.046 -3.653 1.00 0.69 C ATOM 81 OG1 THR A 6 1.203 10.795 -4.332 1.00 0.83 O ATOM 82 CG2 THR A 6 0.119 12.878 -4.321 1.00 0.83 C ATOM 0 H THR A 6 3.723 11.495 -2.456 1.00 0.46 H new ATOM 0 HA THR A 6 2.755 12.765 -5.024 1.00 0.56 H new ATOM 0 HB THR A 6 1.078 12.042 -2.575 1.00 0.69 H new ATOM 0 HG1 THR A 6 0.328 10.375 -4.196 1.00 0.83 H new ATOM 0 HG21 THR A 6 -0.851 12.449 -4.070 1.00 0.83 H new ATOM 0 HG22 THR A 6 0.165 13.906 -3.961 1.00 0.83 H new ATOM 0 HG23 THR A 6 0.252 12.866 -5.403 1.00 0.83 H new ATOM 90 N THR A 7 2.328 14.948 -3.693 1.00 0.57 N ATOM 91 CA THR A 7 2.512 16.293 -3.065 1.00 0.61 C ATOM 92 C THR A 7 1.188 16.677 -2.400 1.00 0.59 C ATOM 93 O THR A 7 0.126 16.400 -2.922 1.00 0.70 O ATOM 94 CB THR A 7 2.891 17.298 -4.167 1.00 0.76 C ATOM 95 OG1 THR A 7 4.123 16.798 -4.677 1.00 0.77 O ATOM 96 CG2 THR A 7 3.251 18.680 -3.588 1.00 0.88 C ATOM 0 H THR A 7 1.699 14.935 -4.496 1.00 0.57 H new ATOM 0 HA THR A 7 3.304 16.288 -2.316 1.00 0.61 H new ATOM 0 HB THR A 7 2.069 17.402 -4.875 1.00 0.76 H new ATOM 0 HG1 THR A 7 4.442 17.384 -5.395 1.00 0.77 H new ATOM 0 HG21 THR A 7 3.512 19.358 -4.400 1.00 0.88 H new ATOM 0 HG22 THR A 7 2.396 19.080 -3.042 1.00 0.88 H new ATOM 0 HG23 THR A 7 4.100 18.581 -2.911 1.00 0.88 H new ATOM 104 N TYR A 8 1.305 17.307 -1.260 1.00 0.50 N ATOM 105 CA TYR A 8 0.102 17.745 -0.491 1.00 0.45 C ATOM 106 C TYR A 8 0.275 19.219 -0.169 1.00 0.44 C ATOM 107 O TYR A 8 1.354 19.764 -0.307 1.00 0.51 O ATOM 108 CB TYR A 8 0.012 16.917 0.780 1.00 0.41 C ATOM 109 CG TYR A 8 -1.421 16.808 1.321 1.00 0.37 C ATOM 110 CD1 TYR A 8 -2.353 16.047 0.638 1.00 0.47 C ATOM 111 CD2 TYR A 8 -1.800 17.438 2.486 1.00 0.36 C ATOM 112 CE1 TYR A 8 -3.639 15.918 1.114 1.00 0.47 C ATOM 113 CE2 TYR A 8 -3.086 17.309 2.962 1.00 0.36 C ATOM 114 CZ TYR A 8 -4.014 16.551 2.281 1.00 0.38 C ATOM 115 OH TYR A 8 -5.298 16.430 2.766 1.00 0.45 O ATOM 0 H TYR A 8 2.197 17.540 -0.823 1.00 0.50 H new ATOM 0 HA TYR A 8 -0.816 17.604 -1.061 1.00 0.45 H new ATOM 0 HB2 TYR A 8 0.398 15.917 0.584 1.00 0.41 H new ATOM 0 HB3 TYR A 8 0.651 17.362 1.543 1.00 0.41 H new ATOM 0 HD1 TYR A 8 -2.069 15.549 -0.277 1.00 0.47 H new ATOM 0 HD2 TYR A 8 -1.084 18.037 3.030 1.00 0.36 H new ATOM 0 HE1 TYR A 8 -4.356 15.319 0.572 1.00 0.47 H new ATOM 0 HE2 TYR A 8 -3.370 17.807 3.878 1.00 0.36 H new ATOM 0 HH TYR A 8 -5.534 17.235 3.273 1.00 0.45 H new ATOM 125 N LYS A 9 -0.805 19.802 0.272 1.00 0.39 N ATOM 126 CA LYS A 9 -0.780 21.260 0.620 1.00 0.41 C ATOM 127 C LYS A 9 -1.162 21.513 2.076 1.00 0.31 C ATOM 128 O LYS A 9 -1.898 20.749 2.667 1.00 0.31 O ATOM 129 CB LYS A 9 -1.758 21.983 -0.336 1.00 0.50 C ATOM 130 CG LYS A 9 -1.830 23.512 -0.039 1.00 0.54 C ATOM 131 CD LYS A 9 -2.852 24.202 -0.973 1.00 0.79 C ATOM 132 CE LYS A 9 -2.386 24.154 -2.440 1.00 1.08 C ATOM 133 NZ LYS A 9 -3.392 24.836 -3.303 1.00 1.35 N ATOM 0 H LYS A 9 -1.703 19.338 0.408 1.00 0.39 H new ATOM 0 HA LYS A 9 0.234 21.643 0.503 1.00 0.41 H new ATOM 0 HB2 LYS A 9 -1.441 21.827 -1.367 1.00 0.50 H new ATOM 0 HB3 LYS A 9 -2.752 21.546 -0.239 1.00 0.50 H new ATOM 0 HG2 LYS A 9 -2.114 23.673 1.001 1.00 0.54 H new ATOM 0 HG3 LYS A 9 -0.846 23.961 -0.174 1.00 0.54 H new ATOM 0 HD2 LYS A 9 -3.822 23.713 -0.880 1.00 0.79 H new ATOM 0 HD3 LYS A 9 -2.988 25.239 -0.665 1.00 0.79 H new ATOM 0 HE2 LYS A 9 -1.416 24.640 -2.541 1.00 1.08 H new ATOM 0 HE3 LYS A 9 -2.259 23.119 -2.759 1.00 1.08 H new ATOM 0 HZ1 LYS A 9 -3.078 24.804 -4.294 1.00 1.35 H new ATOM 0 HZ2 LYS A 9 -4.309 24.354 -3.215 1.00 1.35 H new ATOM 0 HZ3 LYS A 9 -3.492 25.827 -3.003 1.00 1.35 H new ATOM 147 N LEU A 10 -0.626 22.589 2.590 1.00 0.29 N ATOM 148 CA LEU A 10 -0.875 23.026 3.997 1.00 0.25 C ATOM 149 C LEU A 10 -1.211 24.525 4.085 1.00 0.26 C ATOM 150 O LEU A 10 -0.570 25.327 3.438 1.00 0.37 O ATOM 151 CB LEU A 10 0.394 22.752 4.834 1.00 0.28 C ATOM 152 CG LEU A 10 0.428 23.535 6.189 1.00 0.33 C ATOM 153 CD1 LEU A 10 -0.631 22.981 7.142 1.00 0.36 C ATOM 154 CD2 LEU A 10 1.831 23.452 6.814 1.00 0.38 C ATOM 0 H LEU A 10 -0.001 23.206 2.071 1.00 0.29 H new ATOM 0 HA LEU A 10 -1.729 22.466 4.377 1.00 0.25 H new ATOM 0 HB2 LEU A 10 0.461 21.684 5.039 1.00 0.28 H new ATOM 0 HB3 LEU A 10 1.272 23.020 4.246 1.00 0.28 H new ATOM 0 HG LEU A 10 0.202 24.585 6.001 1.00 0.33 H new ATOM 0 HD11 LEU A 10 -0.599 23.532 8.082 1.00 0.36 H new ATOM 0 HD12 LEU A 10 -1.618 23.088 6.692 1.00 0.36 H new ATOM 0 HD13 LEU A 10 -0.432 21.926 7.333 1.00 0.36 H new ATOM 0 HD21 LEU A 10 1.843 24.000 7.756 1.00 0.38 H new ATOM 0 HD22 LEU A 10 2.086 22.408 6.998 1.00 0.38 H new ATOM 0 HD23 LEU A 10 2.560 23.888 6.131 1.00 0.38 H new ATOM 166 N VAL A 11 -2.194 24.849 4.884 1.00 0.22 N ATOM 167 CA VAL A 11 -2.610 26.270 5.079 1.00 0.23 C ATOM 168 C VAL A 11 -2.419 26.505 6.584 1.00 0.22 C ATOM 169 O VAL A 11 -2.646 25.640 7.405 1.00 0.35 O ATOM 170 CB VAL A 11 -4.083 26.475 4.729 1.00 0.30 C ATOM 171 CG1 VAL A 11 -4.440 27.979 4.819 1.00 0.39 C ATOM 172 CG2 VAL A 11 -4.330 26.009 3.285 1.00 0.44 C ATOM 0 H VAL A 11 -2.738 24.173 5.421 1.00 0.22 H new ATOM 0 HA VAL A 11 -2.037 26.948 4.446 1.00 0.23 H new ATOM 0 HB VAL A 11 -4.696 25.904 5.426 1.00 0.30 H new ATOM 0 HG11 VAL A 11 -5.492 28.119 4.568 1.00 0.39 H new ATOM 0 HG12 VAL A 11 -4.258 28.336 5.833 1.00 0.39 H new ATOM 0 HG13 VAL A 11 -3.822 28.542 4.119 1.00 0.39 H new ATOM 0 HG21 VAL A 11 -5.380 26.153 3.031 1.00 0.44 H new ATOM 0 HG22 VAL A 11 -3.708 26.590 2.604 1.00 0.44 H new ATOM 0 HG23 VAL A 11 -4.077 24.953 3.195 1.00 0.44 H new ATOM 182 N ILE A 12 -2.013 27.698 6.892 1.00 0.22 N ATOM 183 CA ILE A 12 -1.765 28.107 8.309 1.00 0.25 C ATOM 184 C ILE A 12 -2.667 29.306 8.589 1.00 0.26 C ATOM 185 O ILE A 12 -2.648 30.229 7.802 1.00 0.35 O ATOM 186 CB ILE A 12 -0.286 28.525 8.467 1.00 0.31 C ATOM 187 CG1 ILE A 12 0.626 27.348 7.962 1.00 0.35 C ATOM 188 CG2 ILE A 12 0.020 28.968 9.928 1.00 0.38 C ATOM 189 CD1 ILE A 12 2.046 27.379 8.559 1.00 0.39 C ATOM 0 H ILE A 12 -1.836 28.432 6.206 1.00 0.22 H new ATOM 0 HA ILE A 12 -1.974 27.290 9.000 1.00 0.25 H new ATOM 0 HB ILE A 12 -0.071 29.400 7.854 1.00 0.31 H new ATOM 0 HG12 ILE A 12 0.154 26.398 8.214 1.00 0.35 H new ATOM 0 HG13 ILE A 12 0.695 27.392 6.875 1.00 0.35 H new ATOM 0 HG21 ILE A 12 1.068 29.256 10.009 1.00 0.38 H new ATOM 0 HG22 ILE A 12 -0.611 29.817 10.191 1.00 0.38 H new ATOM 0 HG23 ILE A 12 -0.182 28.141 10.609 1.00 0.38 H new ATOM 0 HD11 ILE A 12 2.623 26.540 8.170 1.00 0.39 H new ATOM 0 HD12 ILE A 12 2.535 28.314 8.286 1.00 0.39 H new ATOM 0 HD13 ILE A 12 1.986 27.305 9.645 1.00 0.39 H new ATOM 201 N ASN A 13 -3.399 29.272 9.672 1.00 0.29 N ATOM 202 CA ASN A 13 -4.313 30.405 10.022 1.00 0.37 C ATOM 203 C ASN A 13 -3.796 31.061 11.315 1.00 0.50 C ATOM 204 O ASN A 13 -4.495 31.211 12.298 1.00 0.78 O ATOM 205 CB ASN A 13 -5.728 29.829 10.205 1.00 0.53 C ATOM 206 CG ASN A 13 -6.179 29.149 8.904 1.00 0.74 C ATOM 207 OD1 ASN A 13 -5.625 28.155 8.478 1.00 0.79 O ATOM 208 ND2 ASN A 13 -7.180 29.660 8.241 1.00 1.05 N ATOM 0 H ASN A 13 -3.404 28.499 10.338 1.00 0.29 H new ATOM 0 HA ASN A 13 -4.342 31.165 9.241 1.00 0.37 H new ATOM 0 HB2 ASN A 13 -5.736 29.110 11.025 1.00 0.53 H new ATOM 0 HB3 ASN A 13 -6.424 30.624 10.472 1.00 0.53 H new ATOM 0 HD21 ASN A 13 -7.492 29.225 7.373 1.00 1.05 H new ATOM 0 HD22 ASN A 13 -7.651 30.494 8.591 1.00 1.05 H new ATOM 215 N GLY A 14 -2.540 31.414 11.213 1.00 0.53 N ATOM 216 CA GLY A 14 -1.744 32.075 12.298 1.00 0.75 C ATOM 217 C GLY A 14 -2.506 32.801 13.423 1.00 0.65 C ATOM 218 O GLY A 14 -2.674 32.276 14.506 1.00 0.80 O ATOM 0 H GLY A 14 -1.998 31.259 10.363 1.00 0.53 H new ATOM 0 HA2 GLY A 14 -1.115 31.314 12.760 1.00 0.75 H new ATOM 0 HA3 GLY A 14 -1.077 32.798 11.828 1.00 0.75 H new ATOM 222 N LYS A 15 -2.943 33.999 13.113 1.00 0.57 N ATOM 223 CA LYS A 15 -3.696 34.835 14.105 1.00 0.53 C ATOM 224 C LYS A 15 -4.985 35.401 13.479 1.00 0.52 C ATOM 225 O LYS A 15 -6.077 35.015 13.850 1.00 0.67 O ATOM 226 CB LYS A 15 -2.733 35.962 14.564 1.00 0.63 C ATOM 227 CG LYS A 15 -3.373 36.827 15.668 1.00 0.70 C ATOM 228 CD LYS A 15 -2.376 37.940 16.067 1.00 0.91 C ATOM 229 CE LYS A 15 -3.022 38.879 17.102 1.00 0.99 C ATOM 230 NZ LYS A 15 -4.156 39.629 16.485 1.00 1.02 N ATOM 0 H LYS A 15 -2.808 34.439 12.203 1.00 0.57 H new ATOM 0 HA LYS A 15 -4.013 34.240 14.961 1.00 0.53 H new ATOM 0 HB2 LYS A 15 -1.806 35.524 14.933 1.00 0.63 H new ATOM 0 HB3 LYS A 15 -2.472 36.590 13.712 1.00 0.63 H new ATOM 0 HG2 LYS A 15 -4.305 37.265 15.312 1.00 0.70 H new ATOM 0 HG3 LYS A 15 -3.620 36.213 16.534 1.00 0.70 H new ATOM 0 HD2 LYS A 15 -1.470 37.497 16.481 1.00 0.91 H new ATOM 0 HD3 LYS A 15 -2.079 38.507 15.185 1.00 0.91 H new ATOM 0 HE2 LYS A 15 -3.380 38.301 17.954 1.00 0.99 H new ATOM 0 HE3 LYS A 15 -2.278 39.579 17.482 1.00 0.99 H new ATOM 0 HZ1 LYS A 15 -4.384 40.457 17.071 1.00 1.02 H new ATOM 0 HZ2 LYS A 15 -3.886 39.943 15.531 1.00 1.02 H new ATOM 0 HZ3 LYS A 15 -4.989 39.009 16.423 1.00 1.02 H new ATOM 244 N THR A 16 -4.800 36.302 12.547 1.00 0.57 N ATOM 245 CA THR A 16 -5.935 36.965 11.822 1.00 0.67 C ATOM 246 C THR A 16 -5.803 36.682 10.326 1.00 0.63 C ATOM 247 O THR A 16 -6.784 36.473 9.640 1.00 0.91 O ATOM 248 CB THR A 16 -5.904 38.495 12.064 1.00 0.87 C ATOM 249 OG1 THR A 16 -4.553 38.887 11.852 1.00 0.92 O ATOM 250 CG2 THR A 16 -6.237 38.853 13.525 1.00 1.10 C ATOM 0 H THR A 16 -3.878 36.618 12.247 1.00 0.57 H new ATOM 0 HA THR A 16 -6.880 36.570 12.194 1.00 0.67 H new ATOM 0 HB THR A 16 -6.628 38.982 11.411 1.00 0.87 H new ATOM 0 HG1 THR A 16 -4.467 39.854 11.990 1.00 0.92 H new ATOM 0 HG21 THR A 16 -6.204 39.935 13.651 1.00 1.10 H new ATOM 0 HG22 THR A 16 -7.235 38.489 13.770 1.00 1.10 H new ATOM 0 HG23 THR A 16 -5.508 38.388 14.189 1.00 1.10 H new ATOM 258 N LEU A 17 -4.571 36.689 9.886 1.00 0.58 N ATOM 259 CA LEU A 17 -4.256 36.431 8.450 1.00 0.54 C ATOM 260 C LEU A 17 -3.696 35.010 8.353 1.00 0.49 C ATOM 261 O LEU A 17 -3.218 34.461 9.329 1.00 0.59 O ATOM 262 CB LEU A 17 -3.201 37.449 7.961 1.00 0.60 C ATOM 263 CG LEU A 17 -3.706 38.908 8.138 1.00 0.66 C ATOM 264 CD1 LEU A 17 -2.571 39.880 7.750 1.00 0.78 C ATOM 265 CD2 LEU A 17 -4.912 39.177 7.208 1.00 0.69 C ATOM 0 H LEU A 17 -3.756 36.866 10.473 1.00 0.58 H new ATOM 0 HA LEU A 17 -5.147 36.534 7.831 1.00 0.54 H new ATOM 0 HB2 LEU A 17 -2.274 37.312 8.517 1.00 0.60 H new ATOM 0 HB3 LEU A 17 -2.973 37.265 6.911 1.00 0.60 H new ATOM 0 HG LEU A 17 -4.007 39.053 9.176 1.00 0.66 H new ATOM 0 HD11 LEU A 17 -2.915 40.907 7.871 1.00 0.78 H new ATOM 0 HD12 LEU A 17 -1.709 39.708 8.394 1.00 0.78 H new ATOM 0 HD13 LEU A 17 -2.287 39.712 6.711 1.00 0.78 H new ATOM 0 HD21 LEU A 17 -5.254 40.203 7.344 1.00 0.69 H new ATOM 0 HD22 LEU A 17 -4.612 39.029 6.171 1.00 0.69 H new ATOM 0 HD23 LEU A 17 -5.721 38.489 7.453 1.00 0.69 H new ATOM 277 N LYS A 18 -3.782 34.476 7.164 1.00 0.38 N ATOM 278 CA LYS A 18 -3.290 33.093 6.889 1.00 0.32 C ATOM 279 C LYS A 18 -2.312 33.090 5.710 1.00 0.28 C ATOM 280 O LYS A 18 -2.268 34.007 4.913 1.00 0.38 O ATOM 281 CB LYS A 18 -4.548 32.211 6.615 1.00 0.33 C ATOM 282 CG LYS A 18 -5.322 32.637 5.336 1.00 0.45 C ATOM 283 CD LYS A 18 -4.753 31.907 4.097 1.00 0.57 C ATOM 284 CE LYS A 18 -5.529 32.356 2.847 1.00 0.85 C ATOM 285 NZ LYS A 18 -4.974 31.695 1.634 1.00 1.15 N ATOM 0 H LYS A 18 -4.181 34.950 6.354 1.00 0.38 H new ATOM 0 HA LYS A 18 -2.736 32.693 7.738 1.00 0.32 H new ATOM 0 HB2 LYS A 18 -4.241 31.170 6.517 1.00 0.33 H new ATOM 0 HB3 LYS A 18 -5.218 32.266 7.473 1.00 0.33 H new ATOM 0 HG2 LYS A 18 -6.381 32.405 5.449 1.00 0.45 H new ATOM 0 HG3 LYS A 18 -5.245 33.716 5.198 1.00 0.45 H new ATOM 0 HD2 LYS A 18 -3.693 32.132 3.982 1.00 0.57 H new ATOM 0 HD3 LYS A 18 -4.838 30.828 4.225 1.00 0.57 H new ATOM 0 HE2 LYS A 18 -6.584 32.106 2.956 1.00 0.85 H new ATOM 0 HE3 LYS A 18 -5.467 33.439 2.741 1.00 0.85 H new ATOM 0 HZ1 LYS A 18 -5.223 32.251 0.791 1.00 1.15 H new ATOM 0 HZ2 LYS A 18 -3.939 31.634 1.715 1.00 1.15 H new ATOM 0 HZ3 LYS A 18 -5.372 30.738 1.547 1.00 1.15 H new ATOM 299 N GLY A 19 -1.562 32.025 5.668 1.00 0.32 N ATOM 300 CA GLY A 19 -0.538 31.804 4.601 1.00 0.43 C ATOM 301 C GLY A 19 -0.626 30.345 4.158 1.00 0.32 C ATOM 302 O GLY A 19 -1.271 29.553 4.814 1.00 0.46 O ATOM 0 H GLY A 19 -1.617 31.271 6.352 1.00 0.32 H new ATOM 0 HA2 GLY A 19 -0.717 32.470 3.757 1.00 0.43 H new ATOM 0 HA3 GLY A 19 0.460 32.028 4.978 1.00 0.43 H new ATOM 306 N GLU A 20 0.015 30.024 3.064 1.00 0.35 N ATOM 307 CA GLU A 20 -0.011 28.618 2.556 1.00 0.39 C ATOM 308 C GLU A 20 1.369 28.157 2.084 1.00 0.48 C ATOM 309 O GLU A 20 2.153 28.917 1.550 1.00 0.62 O ATOM 310 CB GLU A 20 -1.036 28.505 1.388 1.00 0.60 C ATOM 311 CG GLU A 20 -0.774 29.524 0.244 1.00 0.82 C ATOM 312 CD GLU A 20 -0.994 30.967 0.737 1.00 0.91 C ATOM 313 OE1 GLU A 20 -2.104 31.229 1.173 1.00 0.97 O ATOM 314 OE2 GLU A 20 -0.042 31.725 0.653 1.00 1.11 O ATOM 0 H GLU A 20 0.557 30.677 2.498 1.00 0.35 H new ATOM 0 HA GLU A 20 -0.311 27.969 3.379 1.00 0.39 H new ATOM 0 HB2 GLU A 20 -1.003 27.495 0.981 1.00 0.60 H new ATOM 0 HB3 GLU A 20 -2.042 28.658 1.779 1.00 0.60 H new ATOM 0 HG2 GLU A 20 0.246 29.412 -0.123 1.00 0.82 H new ATOM 0 HG3 GLU A 20 -1.439 29.316 -0.594 1.00 0.82 H new ATOM 321 N THR A 21 1.595 26.893 2.318 1.00 0.46 N ATOM 322 CA THR A 21 2.867 26.198 1.952 1.00 0.58 C ATOM 323 C THR A 21 2.508 24.785 1.482 1.00 0.55 C ATOM 324 O THR A 21 1.382 24.355 1.629 1.00 0.53 O ATOM 325 CB THR A 21 3.798 26.116 3.190 1.00 0.66 C ATOM 326 OG1 THR A 21 3.020 25.472 4.193 1.00 0.64 O ATOM 327 CG2 THR A 21 4.132 27.510 3.765 1.00 0.74 C ATOM 0 H THR A 21 0.915 26.283 2.771 1.00 0.46 H new ATOM 0 HA THR A 21 3.386 26.744 1.164 1.00 0.58 H new ATOM 0 HB THR A 21 4.725 25.615 2.912 1.00 0.66 H new ATOM 0 HG1 THR A 21 3.402 25.661 5.075 1.00 0.64 H new ATOM 0 HG21 THR A 21 4.786 27.400 4.630 1.00 0.74 H new ATOM 0 HG22 THR A 21 4.635 28.107 3.004 1.00 0.74 H new ATOM 0 HG23 THR A 21 3.211 28.009 4.068 1.00 0.74 H new ATOM 335 N THR A 22 3.463 24.096 0.922 1.00 0.64 N ATOM 336 CA THR A 22 3.206 22.698 0.438 1.00 0.63 C ATOM 337 C THR A 22 4.407 21.801 0.786 1.00 0.66 C ATOM 338 O THR A 22 5.463 22.288 1.139 1.00 0.76 O ATOM 339 CB THR A 22 3.006 22.694 -1.094 1.00 0.72 C ATOM 340 OG1 THR A 22 4.180 23.299 -1.621 1.00 0.85 O ATOM 341 CG2 THR A 22 1.862 23.618 -1.543 1.00 0.77 C ATOM 0 H THR A 22 4.414 24.436 0.776 1.00 0.64 H new ATOM 0 HA THR A 22 2.306 22.320 0.923 1.00 0.63 H new ATOM 0 HB THR A 22 2.797 21.675 -1.420 1.00 0.72 H new ATOM 0 HG1 THR A 22 4.122 23.329 -2.599 1.00 0.85 H new ATOM 0 HG21 THR A 22 1.765 23.577 -2.628 1.00 0.77 H new ATOM 0 HG22 THR A 22 0.929 23.292 -1.083 1.00 0.77 H new ATOM 0 HG23 THR A 22 2.079 24.641 -1.237 1.00 0.77 H new ATOM 349 N THR A 23 4.204 20.512 0.675 1.00 0.62 N ATOM 350 CA THR A 23 5.300 19.528 0.978 1.00 0.67 C ATOM 351 C THR A 23 5.002 18.218 0.250 1.00 0.54 C ATOM 352 O THR A 23 3.970 18.073 -0.374 1.00 0.54 O ATOM 353 CB THR A 23 5.389 19.270 2.525 1.00 0.71 C ATOM 354 OG1 THR A 23 6.665 18.656 2.679 1.00 0.88 O ATOM 355 CG2 THR A 23 4.414 18.169 3.038 1.00 0.65 C ATOM 0 H THR A 23 3.321 20.092 0.386 1.00 0.62 H new ATOM 0 HA THR A 23 6.254 19.932 0.640 1.00 0.67 H new ATOM 0 HB THR A 23 5.185 20.203 3.050 1.00 0.71 H new ATOM 0 HG1 THR A 23 7.314 19.323 2.986 1.00 0.88 H new ATOM 0 HG21 THR A 23 4.535 18.049 4.115 1.00 0.65 H new ATOM 0 HG22 THR A 23 3.387 18.461 2.818 1.00 0.65 H new ATOM 0 HG23 THR A 23 4.637 17.225 2.540 1.00 0.65 H new ATOM 363 N GLU A 24 5.917 17.296 0.368 1.00 0.52 N ATOM 364 CA GLU A 24 5.739 15.971 -0.289 1.00 0.43 C ATOM 365 C GLU A 24 5.488 14.946 0.818 1.00 0.33 C ATOM 366 O GLU A 24 5.911 15.112 1.946 1.00 0.45 O ATOM 367 CB GLU A 24 7.023 15.641 -1.117 1.00 0.54 C ATOM 368 CG GLU A 24 8.349 15.842 -0.329 1.00 0.78 C ATOM 369 CD GLU A 24 8.464 14.886 0.870 1.00 0.98 C ATOM 370 OE1 GLU A 24 8.374 13.691 0.632 1.00 1.01 O ATOM 371 OE2 GLU A 24 8.636 15.414 1.957 1.00 1.42 O ATOM 0 H GLU A 24 6.784 17.404 0.894 1.00 0.52 H new ATOM 0 HA GLU A 24 4.895 15.962 -0.979 1.00 0.43 H new ATOM 0 HB2 GLU A 24 6.968 14.607 -1.459 1.00 0.54 H new ATOM 0 HB3 GLU A 24 7.041 16.270 -2.007 1.00 0.54 H new ATOM 0 HG2 GLU A 24 9.195 15.685 -0.999 1.00 0.78 H new ATOM 0 HG3 GLU A 24 8.408 16.872 0.023 1.00 0.78 H new ATOM 378 N ALA A 25 4.778 13.916 0.453 1.00 0.33 N ATOM 379 CA ALA A 25 4.443 12.828 1.418 1.00 0.36 C ATOM 380 C ALA A 25 4.087 11.532 0.691 1.00 0.45 C ATOM 381 O ALA A 25 3.994 11.491 -0.521 1.00 0.52 O ATOM 382 CB ALA A 25 3.258 13.297 2.269 1.00 0.49 C ATOM 0 H ALA A 25 4.409 13.778 -0.488 1.00 0.33 H new ATOM 0 HA ALA A 25 5.309 12.621 2.046 1.00 0.36 H new ATOM 0 HB1 ALA A 25 2.993 12.518 2.984 1.00 0.49 H new ATOM 0 HB2 ALA A 25 3.533 14.205 2.806 1.00 0.49 H new ATOM 0 HB3 ALA A 25 2.405 13.502 1.623 1.00 0.49 H new ATOM 388 N VAL A 26 3.896 10.509 1.481 1.00 0.56 N ATOM 389 CA VAL A 26 3.532 9.164 0.956 1.00 0.74 C ATOM 390 C VAL A 26 2.113 8.928 1.471 1.00 0.77 C ATOM 391 O VAL A 26 1.205 8.671 0.705 1.00 0.90 O ATOM 392 CB VAL A 26 4.528 8.132 1.517 1.00 0.80 C ATOM 393 CG1 VAL A 26 4.119 6.701 1.091 1.00 0.99 C ATOM 394 CG2 VAL A 26 5.940 8.439 0.971 1.00 0.89 C ATOM 0 H VAL A 26 3.980 10.553 2.497 1.00 0.56 H new ATOM 0 HA VAL A 26 3.571 9.083 -0.130 1.00 0.74 H new ATOM 0 HB VAL A 26 4.525 8.193 2.605 1.00 0.80 H new ATOM 0 HG11 VAL A 26 4.833 5.983 1.495 1.00 0.99 H new ATOM 0 HG12 VAL A 26 3.123 6.478 1.474 1.00 0.99 H new ATOM 0 HG13 VAL A 26 4.113 6.633 0.003 1.00 0.99 H new ATOM 0 HG21 VAL A 26 6.649 7.711 1.365 1.00 0.89 H new ATOM 0 HG22 VAL A 26 5.929 8.382 -0.117 1.00 0.89 H new ATOM 0 HG23 VAL A 26 6.239 9.441 1.279 1.00 0.89 H new ATOM 404 N ASP A 27 1.987 9.027 2.769 1.00 0.70 N ATOM 405 CA ASP A 27 0.672 8.834 3.450 1.00 0.74 C ATOM 406 C ASP A 27 0.329 10.090 4.267 1.00 0.69 C ATOM 407 O ASP A 27 1.171 10.937 4.504 1.00 0.66 O ATOM 408 CB ASP A 27 0.780 7.604 4.376 1.00 0.77 C ATOM 409 CG ASP A 27 -0.541 7.400 5.141 1.00 0.83 C ATOM 410 OD1 ASP A 27 -1.470 6.916 4.515 1.00 0.92 O ATOM 411 OD2 ASP A 27 -0.542 7.756 6.308 1.00 0.89 O ATOM 0 H ASP A 27 2.760 9.239 3.400 1.00 0.70 H new ATOM 0 HA ASP A 27 -0.118 8.672 2.717 1.00 0.74 H new ATOM 0 HB2 ASP A 27 1.010 6.715 3.788 1.00 0.77 H new ATOM 0 HB3 ASP A 27 1.600 7.741 5.081 1.00 0.77 H new ATOM 416 N ALA A 28 -0.916 10.165 4.671 1.00 0.76 N ATOM 417 CA ALA A 28 -1.420 11.318 5.486 1.00 0.78 C ATOM 418 C ALA A 28 -0.425 11.618 6.620 1.00 0.69 C ATOM 419 O ALA A 28 -0.023 12.745 6.831 1.00 0.72 O ATOM 420 CB ALA A 28 -2.793 10.945 6.058 1.00 0.94 C ATOM 0 H ALA A 28 -1.622 9.458 4.465 1.00 0.76 H new ATOM 0 HA ALA A 28 -1.516 12.210 4.867 1.00 0.78 H new ATOM 0 HB1 ALA A 28 -3.176 11.773 6.655 1.00 0.94 H new ATOM 0 HB2 ALA A 28 -3.483 10.737 5.241 1.00 0.94 H new ATOM 0 HB3 ALA A 28 -2.697 10.059 6.686 1.00 0.94 H new ATOM 426 N ALA A 29 -0.057 10.571 7.317 1.00 0.66 N ATOM 427 CA ALA A 29 0.904 10.693 8.449 1.00 0.59 C ATOM 428 C ALA A 29 2.199 11.365 7.975 1.00 0.44 C ATOM 429 O ALA A 29 2.605 12.354 8.543 1.00 0.43 O ATOM 430 CB ALA A 29 1.197 9.288 8.995 1.00 0.69 C ATOM 0 H ALA A 29 -0.390 9.623 7.144 1.00 0.66 H new ATOM 0 HA ALA A 29 0.473 11.310 9.237 1.00 0.59 H new ATOM 0 HB1 ALA A 29 1.900 9.360 9.825 1.00 0.69 H new ATOM 0 HB2 ALA A 29 0.270 8.832 9.343 1.00 0.69 H new ATOM 0 HB3 ALA A 29 1.630 8.674 8.205 1.00 0.69 H new ATOM 436 N THR A 30 2.816 10.815 6.955 1.00 0.44 N ATOM 437 CA THR A 30 4.091 11.401 6.413 1.00 0.38 C ATOM 438 C THR A 30 3.964 12.923 6.298 1.00 0.33 C ATOM 439 O THR A 30 4.789 13.669 6.791 1.00 0.41 O ATOM 440 CB THR A 30 4.385 10.809 5.014 1.00 0.53 C ATOM 441 OG1 THR A 30 4.382 9.399 5.179 1.00 0.66 O ATOM 442 CG2 THR A 30 5.826 11.130 4.567 1.00 0.57 C ATOM 0 H THR A 30 2.491 9.979 6.469 1.00 0.44 H new ATOM 0 HA THR A 30 4.906 11.157 7.094 1.00 0.38 H new ATOM 0 HB THR A 30 3.661 11.202 4.301 1.00 0.53 H new ATOM 0 HG1 THR A 30 5.102 9.005 4.644 1.00 0.66 H new ATOM 0 HG21 THR A 30 6.005 10.702 3.581 1.00 0.57 H new ATOM 0 HG22 THR A 30 5.961 12.211 4.523 1.00 0.57 H new ATOM 0 HG23 THR A 30 6.532 10.705 5.281 1.00 0.57 H new ATOM 450 N ALA A 31 2.910 13.326 5.632 1.00 0.37 N ATOM 451 CA ALA A 31 2.652 14.787 5.443 1.00 0.34 C ATOM 452 C ALA A 31 2.639 15.471 6.802 1.00 0.32 C ATOM 453 O ALA A 31 3.404 16.390 7.014 1.00 0.41 O ATOM 454 CB ALA A 31 1.288 14.999 4.756 1.00 0.38 C ATOM 0 H ALA A 31 2.217 12.707 5.211 1.00 0.37 H new ATOM 0 HA ALA A 31 3.437 15.212 4.818 1.00 0.34 H new ATOM 0 HB1 ALA A 31 1.110 16.066 4.623 1.00 0.38 H new ATOM 0 HB2 ALA A 31 1.290 14.507 3.783 1.00 0.38 H new ATOM 0 HB3 ALA A 31 0.499 14.574 5.376 1.00 0.38 H new ATOM 460 N GLU A 32 1.772 14.994 7.668 1.00 0.33 N ATOM 461 CA GLU A 32 1.656 15.570 9.039 1.00 0.36 C ATOM 462 C GLU A 32 3.038 15.765 9.652 1.00 0.37 C ATOM 463 O GLU A 32 3.327 16.817 10.171 1.00 0.46 O ATOM 464 CB GLU A 32 0.846 14.637 9.964 1.00 0.45 C ATOM 465 CG GLU A 32 0.659 15.368 11.328 1.00 0.62 C ATOM 466 CD GLU A 32 -0.172 14.530 12.312 1.00 0.78 C ATOM 467 OE1 GLU A 32 -1.297 14.209 11.955 1.00 1.05 O ATOM 468 OE2 GLU A 32 0.379 14.269 13.369 1.00 0.81 O ATOM 0 H GLU A 32 1.135 14.221 7.476 1.00 0.33 H new ATOM 0 HA GLU A 32 1.145 16.529 8.948 1.00 0.36 H new ATOM 0 HB2 GLU A 32 -0.121 14.403 9.519 1.00 0.45 H new ATOM 0 HB3 GLU A 32 1.369 13.691 10.106 1.00 0.45 H new ATOM 0 HG2 GLU A 32 1.635 15.580 11.764 1.00 0.62 H new ATOM 0 HG3 GLU A 32 0.169 16.327 11.163 1.00 0.62 H new ATOM 475 N LYS A 33 3.856 14.748 9.572 1.00 0.36 N ATOM 476 CA LYS A 33 5.227 14.840 10.151 1.00 0.41 C ATOM 477 C LYS A 33 6.081 15.961 9.561 1.00 0.41 C ATOM 478 O LYS A 33 6.560 16.788 10.309 1.00 0.52 O ATOM 479 CB LYS A 33 5.941 13.479 9.952 1.00 0.49 C ATOM 480 CG LYS A 33 5.210 12.345 10.726 1.00 0.78 C ATOM 481 CD LYS A 33 5.243 12.552 12.267 1.00 1.17 C ATOM 482 CE LYS A 33 6.677 12.495 12.827 1.00 1.42 C ATOM 483 NZ LYS A 33 7.273 11.144 12.597 1.00 1.69 N ATOM 0 H LYS A 33 3.632 13.857 9.130 1.00 0.36 H new ATOM 0 HA LYS A 33 5.110 15.081 11.207 1.00 0.41 H new ATOM 0 HB2 LYS A 33 5.976 13.235 8.890 1.00 0.49 H new ATOM 0 HB3 LYS A 33 6.973 13.552 10.296 1.00 0.49 H new ATOM 0 HG2 LYS A 33 4.174 12.293 10.393 1.00 0.78 H new ATOM 0 HG3 LYS A 33 5.672 11.388 10.482 1.00 0.78 H new ATOM 0 HD2 LYS A 33 4.796 13.515 12.513 1.00 1.17 H new ATOM 0 HD3 LYS A 33 4.635 11.786 12.749 1.00 1.17 H new ATOM 0 HE2 LYS A 33 7.292 13.257 12.348 1.00 1.42 H new ATOM 0 HE3 LYS A 33 6.667 12.718 13.894 1.00 1.42 H new ATOM 0 HZ1 LYS A 33 8.140 11.046 13.163 1.00 1.69 H new ATOM 0 HZ2 LYS A 33 6.591 10.411 12.878 1.00 1.69 H new ATOM 0 HZ3 LYS A 33 7.504 11.033 11.589 1.00 1.69 H new ATOM 497 N VAL A 34 6.253 15.989 8.263 1.00 0.39 N ATOM 498 CA VAL A 34 7.099 17.085 7.670 1.00 0.43 C ATOM 499 C VAL A 34 6.506 18.451 8.014 1.00 0.45 C ATOM 500 O VAL A 34 7.192 19.325 8.512 1.00 0.56 O ATOM 501 CB VAL A 34 7.172 16.881 6.124 1.00 0.47 C ATOM 502 CG1 VAL A 34 8.100 17.948 5.491 1.00 0.68 C ATOM 503 CG2 VAL A 34 7.773 15.488 5.820 1.00 0.52 C ATOM 0 H VAL A 34 5.859 15.323 7.599 1.00 0.39 H new ATOM 0 HA VAL A 34 8.106 17.045 8.085 1.00 0.43 H new ATOM 0 HB VAL A 34 6.167 16.968 5.712 1.00 0.47 H new ATOM 0 HG11 VAL A 34 8.145 17.798 4.412 1.00 0.68 H new ATOM 0 HG12 VAL A 34 7.708 18.943 5.703 1.00 0.68 H new ATOM 0 HG13 VAL A 34 9.101 17.855 5.912 1.00 0.68 H new ATOM 0 HG21 VAL A 34 7.826 15.342 4.741 1.00 0.52 H new ATOM 0 HG22 VAL A 34 8.775 15.424 6.244 1.00 0.52 H new ATOM 0 HG23 VAL A 34 7.142 14.716 6.260 1.00 0.52 H new ATOM 513 N PHE A 35 5.238 18.585 7.743 1.00 0.40 N ATOM 514 CA PHE A 35 4.529 19.860 8.029 1.00 0.40 C ATOM 515 C PHE A 35 4.725 20.245 9.508 1.00 0.41 C ATOM 516 O PHE A 35 5.052 21.374 9.816 1.00 0.50 O ATOM 517 CB PHE A 35 3.041 19.644 7.676 1.00 0.41 C ATOM 518 CG PHE A 35 2.721 19.893 6.175 1.00 0.36 C ATOM 519 CD1 PHE A 35 3.387 20.848 5.413 1.00 0.42 C ATOM 520 CD2 PHE A 35 1.716 19.155 5.569 1.00 0.38 C ATOM 521 CE1 PHE A 35 3.055 21.057 4.089 1.00 0.47 C ATOM 522 CE2 PHE A 35 1.387 19.367 4.244 1.00 0.42 C ATOM 523 CZ PHE A 35 2.055 20.318 3.501 1.00 0.44 C ATOM 0 H PHE A 35 4.657 17.855 7.330 1.00 0.40 H new ATOM 0 HA PHE A 35 4.925 20.684 7.435 1.00 0.40 H new ATOM 0 HB2 PHE A 35 2.758 18.624 7.936 1.00 0.41 H new ATOM 0 HB3 PHE A 35 2.430 20.310 8.286 1.00 0.41 H new ATOM 0 HD1 PHE A 35 4.175 21.434 5.863 1.00 0.42 H new ATOM 0 HD2 PHE A 35 1.185 18.407 6.138 1.00 0.38 H new ATOM 0 HE1 PHE A 35 3.582 21.803 3.513 1.00 0.47 H new ATOM 0 HE2 PHE A 35 0.601 18.784 3.787 1.00 0.42 H new ATOM 0 HZ PHE A 35 1.795 20.481 2.466 1.00 0.44 H new ATOM 533 N LYS A 36 4.528 19.294 10.387 1.00 0.41 N ATOM 534 CA LYS A 36 4.688 19.543 11.848 1.00 0.43 C ATOM 535 C LYS A 36 6.111 20.014 12.149 1.00 0.42 C ATOM 536 O LYS A 36 6.246 21.036 12.784 1.00 0.46 O ATOM 537 CB LYS A 36 4.368 18.237 12.611 1.00 0.44 C ATOM 538 CG LYS A 36 4.439 18.482 14.143 1.00 0.53 C ATOM 539 CD LYS A 36 3.969 17.227 14.923 1.00 0.65 C ATOM 540 CE LYS A 36 2.449 16.999 14.737 1.00 0.90 C ATOM 541 NZ LYS A 36 2.015 15.797 15.505 1.00 1.11 N ATOM 0 H LYS A 36 4.258 18.340 10.147 1.00 0.41 H new ATOM 0 HA LYS A 36 4.002 20.326 12.170 1.00 0.43 H new ATOM 0 HB2 LYS A 36 3.375 17.881 12.338 1.00 0.44 H new ATOM 0 HB3 LYS A 36 5.075 17.458 12.326 1.00 0.44 H new ATOM 0 HG2 LYS A 36 5.461 18.732 14.429 1.00 0.53 H new ATOM 0 HG3 LYS A 36 3.816 19.336 14.409 1.00 0.53 H new ATOM 0 HD2 LYS A 36 4.517 16.351 14.576 1.00 0.65 H new ATOM 0 HD3 LYS A 36 4.196 17.346 15.982 1.00 0.65 H new ATOM 0 HE2 LYS A 36 1.897 17.876 15.076 1.00 0.90 H new ATOM 0 HE3 LYS A 36 2.220 16.867 13.680 1.00 0.90 H new ATOM 0 HZ1 LYS A 36 1.432 15.188 14.896 1.00 1.11 H new ATOM 0 HZ2 LYS A 36 2.852 15.268 15.824 1.00 1.11 H new ATOM 0 HZ3 LYS A 36 1.458 16.095 16.331 1.00 1.11 H new ATOM 555 N GLN A 37 7.123 19.292 11.714 1.00 0.39 N ATOM 556 CA GLN A 37 8.539 19.727 11.983 1.00 0.41 C ATOM 557 C GLN A 37 8.667 21.224 11.697 1.00 0.34 C ATOM 558 O GLN A 37 9.104 21.986 12.534 1.00 0.35 O ATOM 559 CB GLN A 37 9.519 18.940 11.080 1.00 0.54 C ATOM 560 CG GLN A 37 9.560 17.451 11.479 1.00 0.72 C ATOM 561 CD GLN A 37 10.019 17.303 12.935 1.00 0.84 C ATOM 562 OE1 GLN A 37 11.134 17.627 13.290 1.00 0.93 O ATOM 563 NE2 GLN A 37 9.178 16.817 13.805 1.00 1.11 N ATOM 0 H GLN A 37 7.031 18.424 11.186 1.00 0.39 H new ATOM 0 HA GLN A 37 8.785 19.528 13.026 1.00 0.41 H new ATOM 0 HB2 GLN A 37 9.214 19.033 10.038 1.00 0.54 H new ATOM 0 HB3 GLN A 37 10.518 19.370 11.159 1.00 0.54 H new ATOM 0 HG2 GLN A 37 8.572 17.007 11.355 1.00 0.72 H new ATOM 0 HG3 GLN A 37 10.238 16.909 10.820 1.00 0.72 H new ATOM 0 HE21 GLN A 37 8.240 16.544 13.510 1.00 1.11 H new ATOM 0 HE22 GLN A 37 9.458 16.710 14.780 1.00 1.11 H new ATOM 572 N TYR A 38 8.267 21.587 10.503 1.00 0.35 N ATOM 573 CA TYR A 38 8.327 23.023 10.084 1.00 0.37 C ATOM 574 C TYR A 38 7.559 23.904 11.095 1.00 0.33 C ATOM 575 O TYR A 38 8.106 24.815 11.683 1.00 0.42 O ATOM 576 CB TYR A 38 7.724 23.111 8.660 1.00 0.52 C ATOM 577 CG TYR A 38 7.541 24.573 8.218 1.00 0.51 C ATOM 578 CD1 TYR A 38 8.559 25.254 7.579 1.00 0.60 C ATOM 579 CD2 TYR A 38 6.347 25.224 8.465 1.00 0.58 C ATOM 580 CE1 TYR A 38 8.381 26.572 7.191 1.00 0.72 C ATOM 581 CE2 TYR A 38 6.169 26.537 8.078 1.00 0.73 C ATOM 582 CZ TYR A 38 7.184 27.222 7.437 1.00 0.78 C ATOM 583 OH TYR A 38 7.013 28.532 7.034 1.00 0.97 O ATOM 0 H TYR A 38 7.900 20.948 9.797 1.00 0.35 H new ATOM 0 HA TYR A 38 9.353 23.391 10.068 1.00 0.37 H new ATOM 0 HB2 TYR A 38 8.375 22.595 7.955 1.00 0.52 H new ATOM 0 HB3 TYR A 38 6.762 22.599 8.638 1.00 0.52 H new ATOM 0 HD1 TYR A 38 9.497 24.757 7.381 1.00 0.60 H new ATOM 0 HD2 TYR A 38 5.546 24.700 8.965 1.00 0.58 H new ATOM 0 HE1 TYR A 38 9.183 27.097 6.693 1.00 0.72 H new ATOM 0 HE2 TYR A 38 5.230 27.032 8.277 1.00 0.73 H new ATOM 0 HH TYR A 38 6.115 28.836 7.283 1.00 0.97 H new ATOM 593 N ALA A 39 6.301 23.602 11.279 1.00 0.33 N ATOM 594 CA ALA A 39 5.452 24.385 12.235 1.00 0.35 C ATOM 595 C ALA A 39 5.987 24.392 13.672 1.00 0.33 C ATOM 596 O ALA A 39 5.687 25.304 14.412 1.00 0.52 O ATOM 597 CB ALA A 39 4.043 23.801 12.214 1.00 0.45 C ATOM 0 H ALA A 39 5.817 22.839 10.805 1.00 0.33 H new ATOM 0 HA ALA A 39 5.462 25.424 11.905 1.00 0.35 H new ATOM 0 HB1 ALA A 39 3.408 24.357 12.904 1.00 0.45 H new ATOM 0 HB2 ALA A 39 3.634 23.873 11.206 1.00 0.45 H new ATOM 0 HB3 ALA A 39 4.078 22.755 12.517 1.00 0.45 H new ATOM 603 N ASN A 40 6.753 23.393 14.027 1.00 0.31 N ATOM 604 CA ASN A 40 7.321 23.320 15.405 1.00 0.46 C ATOM 605 C ASN A 40 8.461 24.337 15.415 1.00 0.54 C ATOM 606 O ASN A 40 8.484 25.208 16.262 1.00 0.74 O ATOM 607 CB ASN A 40 7.828 21.885 15.657 1.00 0.57 C ATOM 608 CG ASN A 40 8.335 21.755 17.100 1.00 0.82 C ATOM 609 OD1 ASN A 40 9.323 22.349 17.485 1.00 1.02 O ATOM 610 ND2 ASN A 40 7.684 20.990 17.933 1.00 0.95 N ATOM 0 H ASN A 40 7.011 22.619 13.415 1.00 0.31 H new ATOM 0 HA ASN A 40 6.598 23.544 16.189 1.00 0.46 H new ATOM 0 HB2 ASN A 40 7.025 21.170 15.479 1.00 0.57 H new ATOM 0 HB3 ASN A 40 8.629 21.645 14.958 1.00 0.57 H new ATOM 0 HD21 ASN A 40 8.006 20.895 18.896 1.00 0.95 H new ATOM 0 HD22 ASN A 40 6.854 20.487 17.621 1.00 0.95 H new ATOM 617 N ASP A 41 9.361 24.175 14.471 1.00 0.44 N ATOM 618 CA ASP A 41 10.541 25.083 14.313 1.00 0.53 C ATOM 619 C ASP A 41 10.073 26.528 14.531 1.00 0.63 C ATOM 620 O ASP A 41 10.625 27.270 15.319 1.00 0.80 O ATOM 621 CB ASP A 41 11.101 24.901 12.905 1.00 0.53 C ATOM 622 CG ASP A 41 12.284 25.849 12.654 1.00 0.74 C ATOM 623 OD1 ASP A 41 13.288 25.664 13.323 1.00 0.90 O ATOM 624 OD2 ASP A 41 12.112 26.709 11.805 1.00 0.91 O ATOM 0 H ASP A 41 9.322 23.424 13.782 1.00 0.44 H new ATOM 0 HA ASP A 41 11.321 24.851 15.038 1.00 0.53 H new ATOM 0 HB2 ASP A 41 11.423 23.869 12.769 1.00 0.53 H new ATOM 0 HB3 ASP A 41 10.317 25.090 12.171 1.00 0.53 H new ATOM 629 N ASN A 42 9.043 26.841 13.785 1.00 0.57 N ATOM 630 CA ASN A 42 8.419 28.196 13.838 1.00 0.71 C ATOM 631 C ASN A 42 7.829 28.463 15.245 1.00 0.80 C ATOM 632 O ASN A 42 8.236 29.396 15.908 1.00 0.98 O ATOM 633 CB ASN A 42 7.326 28.244 12.764 1.00 0.69 C ATOM 634 CG ASN A 42 6.753 29.662 12.674 1.00 0.92 C ATOM 635 OD1 ASN A 42 7.435 30.597 12.305 1.00 1.17 O ATOM 636 ND2 ASN A 42 5.508 29.865 13.005 1.00 1.02 N ATOM 0 H ASN A 42 8.600 26.199 13.128 1.00 0.57 H new ATOM 0 HA ASN A 42 9.162 28.970 13.648 1.00 0.71 H new ATOM 0 HB2 ASN A 42 7.737 27.945 11.800 1.00 0.69 H new ATOM 0 HB3 ASN A 42 6.534 27.536 13.006 1.00 0.69 H new ATOM 0 HD21 ASN A 42 5.113 30.804 12.953 1.00 1.02 H new ATOM 0 HD22 ASN A 42 4.929 29.085 13.316 1.00 1.02 H new ATOM 643 N GLY A 43 6.892 27.634 15.649 1.00 0.73 N ATOM 644 CA GLY A 43 6.223 27.757 16.986 1.00 0.85 C ATOM 645 C GLY A 43 4.722 28.050 16.826 1.00 0.79 C ATOM 646 O GLY A 43 4.184 28.916 17.488 1.00 1.01 O ATOM 0 H GLY A 43 6.554 26.852 15.088 1.00 0.73 H new ATOM 0 HA2 GLY A 43 6.359 26.835 17.551 1.00 0.85 H new ATOM 0 HA3 GLY A 43 6.694 28.555 17.560 1.00 0.85 H new ATOM 650 N VAL A 44 4.096 27.307 15.947 1.00 0.60 N ATOM 651 CA VAL A 44 2.630 27.462 15.663 1.00 0.59 C ATOM 652 C VAL A 44 1.954 26.073 15.716 1.00 0.49 C ATOM 653 O VAL A 44 1.655 25.473 14.702 1.00 0.50 O ATOM 654 CB VAL A 44 2.535 28.176 14.262 1.00 0.66 C ATOM 655 CG1 VAL A 44 3.257 27.393 13.134 1.00 0.62 C ATOM 656 CG2 VAL A 44 1.069 28.425 13.862 1.00 0.71 C ATOM 0 H VAL A 44 4.551 26.578 15.398 1.00 0.60 H new ATOM 0 HA VAL A 44 2.101 28.068 16.399 1.00 0.59 H new ATOM 0 HB VAL A 44 3.047 29.131 14.379 1.00 0.66 H new ATOM 0 HG11 VAL A 44 3.157 27.935 12.193 1.00 0.62 H new ATOM 0 HG12 VAL A 44 4.313 27.289 13.382 1.00 0.62 H new ATOM 0 HG13 VAL A 44 2.809 26.404 13.033 1.00 0.62 H new ATOM 0 HG21 VAL A 44 1.036 28.919 12.891 1.00 0.71 H new ATOM 0 HG22 VAL A 44 0.541 27.473 13.803 1.00 0.71 H new ATOM 0 HG23 VAL A 44 0.591 29.059 14.608 1.00 0.71 H new ATOM 666 N ASP A 45 1.730 25.595 16.917 1.00 0.49 N ATOM 667 CA ASP A 45 1.087 24.251 17.110 1.00 0.46 C ATOM 668 C ASP A 45 -0.141 24.254 18.060 1.00 0.42 C ATOM 669 O ASP A 45 0.012 24.065 19.253 1.00 0.60 O ATOM 670 CB ASP A 45 2.206 23.315 17.627 1.00 0.59 C ATOM 671 CG ASP A 45 3.440 23.424 16.695 1.00 0.66 C ATOM 672 OD1 ASP A 45 3.357 22.931 15.581 1.00 0.62 O ATOM 673 OD2 ASP A 45 4.403 24.012 17.159 1.00 0.88 O ATOM 0 H ASP A 45 1.967 26.082 17.782 1.00 0.49 H new ATOM 0 HA ASP A 45 0.669 23.913 16.162 1.00 0.46 H new ATOM 0 HB2 ASP A 45 2.481 23.587 18.646 1.00 0.59 H new ATOM 0 HB3 ASP A 45 1.849 22.286 17.657 1.00 0.59 H new ATOM 678 N GLY A 46 -1.319 24.470 17.514 1.00 0.35 N ATOM 679 CA GLY A 46 -2.580 24.492 18.339 1.00 0.35 C ATOM 680 C GLY A 46 -3.581 23.405 17.884 1.00 0.33 C ATOM 681 O GLY A 46 -3.797 22.425 18.569 1.00 0.45 O ATOM 0 H GLY A 46 -1.464 24.634 16.518 1.00 0.35 H new ATOM 0 HA2 GLY A 46 -2.330 24.340 19.389 1.00 0.35 H new ATOM 0 HA3 GLY A 46 -3.048 25.473 18.261 1.00 0.35 H new ATOM 685 N GLU A 47 -4.153 23.631 16.729 1.00 0.30 N ATOM 686 CA GLU A 47 -5.154 22.713 16.086 1.00 0.34 C ATOM 687 C GLU A 47 -4.346 22.366 14.844 1.00 0.34 C ATOM 688 O GLU A 47 -4.434 23.026 13.832 1.00 0.42 O ATOM 689 CB GLU A 47 -6.449 23.475 15.706 1.00 0.39 C ATOM 690 CG GLU A 47 -7.031 24.228 16.916 1.00 0.44 C ATOM 691 CD GLU A 47 -8.379 24.870 16.523 1.00 0.43 C ATOM 692 OE1 GLU A 47 -9.334 24.110 16.492 1.00 0.69 O ATOM 693 OE2 GLU A 47 -8.379 26.066 16.273 1.00 0.75 O ATOM 0 H GLU A 47 -3.956 24.463 16.172 1.00 0.30 H new ATOM 0 HA GLU A 47 -5.500 21.876 16.692 1.00 0.34 H new ATOM 0 HB2 GLU A 47 -6.236 24.181 14.904 1.00 0.39 H new ATOM 0 HB3 GLU A 47 -7.188 22.771 15.323 1.00 0.39 H new ATOM 0 HG2 GLU A 47 -7.173 23.542 17.751 1.00 0.44 H new ATOM 0 HG3 GLU A 47 -6.334 24.996 17.249 1.00 0.44 H new ATOM 700 N TRP A 48 -3.574 21.328 14.975 1.00 0.31 N ATOM 701 CA TRP A 48 -2.696 20.867 13.860 1.00 0.30 C ATOM 702 C TRP A 48 -3.191 19.527 13.288 1.00 0.29 C ATOM 703 O TRP A 48 -2.819 18.469 13.760 1.00 0.43 O ATOM 704 CB TRP A 48 -1.363 20.781 14.487 1.00 0.34 C ATOM 705 CG TRP A 48 -0.149 21.127 13.633 1.00 0.27 C ATOM 706 CD1 TRP A 48 1.013 21.388 14.257 1.00 0.31 C ATOM 707 CD2 TRP A 48 0.021 21.247 12.298 1.00 0.27 C ATOM 708 NE1 TRP A 48 1.842 21.652 13.277 1.00 0.36 N ATOM 709 CE2 TRP A 48 1.339 21.596 12.057 1.00 0.33 C ATOM 710 CE3 TRP A 48 -0.834 21.099 11.229 1.00 0.30 C ATOM 711 CZ2 TRP A 48 1.790 21.793 10.774 1.00 0.36 C ATOM 712 CZ3 TRP A 48 -0.383 21.298 9.950 1.00 0.30 C ATOM 713 CH2 TRP A 48 0.923 21.643 9.724 1.00 0.34 C ATOM 0 H TRP A 48 -3.511 20.766 15.824 1.00 0.31 H new ATOM 0 HA TRP A 48 -2.689 21.535 12.998 1.00 0.30 H new ATOM 0 HB2 TRP A 48 -1.359 21.439 15.356 1.00 0.34 H new ATOM 0 HB3 TRP A 48 -1.233 19.764 14.857 1.00 0.34 H new ATOM 0 HD1 TRP A 48 1.216 21.382 15.318 1.00 0.31 H new ATOM 0 HE1 TRP A 48 2.820 21.887 13.447 1.00 0.36 H new ATOM 0 HE3 TRP A 48 -1.865 20.825 11.399 1.00 0.30 H new ATOM 0 HZ2 TRP A 48 2.820 22.064 10.595 1.00 0.36 H new ATOM 0 HZ3 TRP A 48 -1.060 21.182 9.117 1.00 0.30 H new ATOM 0 HH2 TRP A 48 1.271 21.798 8.713 1.00 0.34 H new ATOM 724 N THR A 49 -4.025 19.617 12.289 1.00 0.25 N ATOM 725 CA THR A 49 -4.575 18.369 11.660 1.00 0.28 C ATOM 726 C THR A 49 -4.809 18.571 10.175 1.00 0.26 C ATOM 727 O THR A 49 -4.459 19.598 9.642 1.00 0.27 O ATOM 728 CB THR A 49 -5.908 17.963 12.316 1.00 0.37 C ATOM 729 OG1 THR A 49 -5.868 18.410 13.666 1.00 0.43 O ATOM 730 CG2 THR A 49 -5.876 16.444 12.484 1.00 0.47 C ATOM 0 H THR A 49 -4.352 20.492 11.879 1.00 0.25 H new ATOM 0 HA THR A 49 -3.839 17.580 11.811 1.00 0.28 H new ATOM 0 HB THR A 49 -6.748 18.345 11.735 1.00 0.37 H new ATOM 0 HG1 THR A 49 -6.705 18.169 14.115 1.00 0.43 H new ATOM 0 HG21 THR A 49 -6.804 16.110 12.947 1.00 0.47 H new ATOM 0 HG22 THR A 49 -5.767 15.972 11.507 1.00 0.47 H new ATOM 0 HG23 THR A 49 -5.034 16.166 13.117 1.00 0.47 H new ATOM 738 N TYR A 50 -5.403 17.594 9.544 1.00 0.31 N ATOM 739 CA TYR A 50 -5.678 17.677 8.080 1.00 0.34 C ATOM 740 C TYR A 50 -7.155 17.804 7.665 1.00 0.36 C ATOM 741 O TYR A 50 -8.067 17.610 8.445 1.00 0.45 O ATOM 742 CB TYR A 50 -4.974 16.423 7.483 1.00 0.38 C ATOM 743 CG TYR A 50 -5.895 15.361 6.854 1.00 0.40 C ATOM 744 CD1 TYR A 50 -6.839 14.694 7.616 1.00 0.64 C ATOM 745 CD2 TYR A 50 -5.770 15.053 5.512 1.00 0.53 C ATOM 746 CE1 TYR A 50 -7.644 13.727 7.040 1.00 0.68 C ATOM 747 CE2 TYR A 50 -6.573 14.089 4.933 1.00 0.62 C ATOM 748 CZ TYR A 50 -7.513 13.420 5.695 1.00 0.58 C ATOM 749 OH TYR A 50 -8.303 12.451 5.111 1.00 0.73 O ATOM 0 H TYR A 50 -5.714 16.730 9.987 1.00 0.31 H new ATOM 0 HA TYR A 50 -5.289 18.615 7.684 1.00 0.34 H new ATOM 0 HB2 TYR A 50 -4.267 16.756 6.723 1.00 0.38 H new ATOM 0 HB3 TYR A 50 -4.393 15.948 8.273 1.00 0.38 H new ATOM 0 HD1 TYR A 50 -6.948 14.929 8.664 1.00 0.64 H new ATOM 0 HD2 TYR A 50 -5.038 15.571 4.910 1.00 0.53 H new ATOM 0 HE1 TYR A 50 -8.377 13.210 7.641 1.00 0.68 H new ATOM 0 HE2 TYR A 50 -6.466 13.858 3.883 1.00 0.62 H new ATOM 0 HH TYR A 50 -8.074 12.371 4.162 1.00 0.73 H new ATOM 759 N ASP A 51 -7.289 18.132 6.406 1.00 0.33 N ATOM 760 CA ASP A 51 -8.591 18.334 5.706 1.00 0.35 C ATOM 761 C ASP A 51 -8.672 17.377 4.522 1.00 0.32 C ATOM 762 O ASP A 51 -7.730 17.229 3.767 1.00 0.35 O ATOM 763 CB ASP A 51 -8.625 19.814 5.290 1.00 0.36 C ATOM 764 CG ASP A 51 -9.812 20.120 4.376 1.00 0.43 C ATOM 765 OD1 ASP A 51 -9.623 19.895 3.196 1.00 0.67 O ATOM 766 OD2 ASP A 51 -10.828 20.549 4.896 1.00 0.81 O ATOM 0 H ASP A 51 -6.486 18.277 5.795 1.00 0.33 H new ATOM 0 HA ASP A 51 -9.456 18.118 6.333 1.00 0.35 H new ATOM 0 HB2 ASP A 51 -8.681 20.441 6.180 1.00 0.36 H new ATOM 0 HB3 ASP A 51 -7.697 20.069 4.778 1.00 0.36 H new ATOM 771 N ASP A 52 -9.824 16.768 4.412 1.00 0.37 N ATOM 772 CA ASP A 52 -10.076 15.795 3.309 1.00 0.39 C ATOM 773 C ASP A 52 -11.210 16.326 2.427 1.00 0.38 C ATOM 774 O ASP A 52 -11.953 15.580 1.818 1.00 0.50 O ATOM 775 CB ASP A 52 -10.454 14.443 3.949 1.00 0.48 C ATOM 776 CG ASP A 52 -10.397 13.254 2.956 1.00 0.56 C ATOM 777 OD1 ASP A 52 -10.035 13.452 1.804 1.00 0.57 O ATOM 778 OD2 ASP A 52 -10.731 12.181 3.430 1.00 0.67 O ATOM 0 H ASP A 52 -10.610 16.906 5.048 1.00 0.37 H new ATOM 0 HA ASP A 52 -9.193 15.663 2.684 1.00 0.39 H new ATOM 0 HB2 ASP A 52 -9.781 14.243 4.782 1.00 0.48 H new ATOM 0 HB3 ASP A 52 -11.460 14.514 4.362 1.00 0.48 H new ATOM 783 N ALA A 53 -11.288 17.629 2.393 1.00 0.36 N ATOM 784 CA ALA A 53 -12.338 18.313 1.571 1.00 0.40 C ATOM 785 C ALA A 53 -11.663 18.801 0.281 1.00 0.40 C ATOM 786 O ALA A 53 -12.150 18.569 -0.808 1.00 0.53 O ATOM 787 CB ALA A 53 -12.903 19.506 2.355 1.00 0.43 C ATOM 0 H ALA A 53 -10.666 18.257 2.902 1.00 0.36 H new ATOM 0 HA ALA A 53 -13.159 17.634 1.338 1.00 0.40 H new ATOM 0 HB1 ALA A 53 -13.667 20.005 1.758 1.00 0.43 H new ATOM 0 HB2 ALA A 53 -13.344 19.153 3.287 1.00 0.43 H new ATOM 0 HB3 ALA A 53 -12.100 20.209 2.577 1.00 0.43 H new ATOM 793 N THR A 54 -10.553 19.465 0.468 1.00 0.33 N ATOM 794 CA THR A 54 -9.744 20.020 -0.652 1.00 0.37 C ATOM 795 C THR A 54 -8.325 19.432 -0.506 1.00 0.35 C ATOM 796 O THR A 54 -7.360 20.042 -0.923 1.00 0.48 O ATOM 797 CB THR A 54 -9.719 21.565 -0.523 1.00 0.47 C ATOM 798 OG1 THR A 54 -11.070 21.965 -0.323 1.00 0.70 O ATOM 799 CG2 THR A 54 -9.375 22.237 -1.868 1.00 0.75 C ATOM 0 H THR A 54 -10.161 19.651 1.391 1.00 0.33 H new ATOM 0 HA THR A 54 -10.156 19.765 -1.628 1.00 0.37 H new ATOM 0 HB THR A 54 -9.007 21.833 0.258 1.00 0.47 H new ATOM 0 HG1 THR A 54 -11.113 22.940 -0.233 1.00 0.70 H new ATOM 0 HG21 THR A 54 -9.366 23.320 -1.742 1.00 0.75 H new ATOM 0 HG22 THR A 54 -8.393 21.902 -2.201 1.00 0.75 H new ATOM 0 HG23 THR A 54 -10.123 21.965 -2.613 1.00 0.75 H new ATOM 807 N LYS A 55 -8.261 18.250 0.074 1.00 0.29 N ATOM 808 CA LYS A 55 -6.975 17.510 0.316 1.00 0.27 C ATOM 809 C LYS A 55 -5.814 18.460 0.665 1.00 0.26 C ATOM 810 O LYS A 55 -4.780 18.525 0.029 1.00 0.32 O ATOM 811 CB LYS A 55 -6.681 16.695 -0.955 1.00 0.31 C ATOM 812 CG LYS A 55 -7.718 15.547 -1.046 1.00 0.55 C ATOM 813 CD LYS A 55 -7.642 14.845 -2.419 1.00 0.81 C ATOM 814 CE LYS A 55 -8.121 15.782 -3.546 1.00 1.45 C ATOM 815 NZ LYS A 55 -9.520 16.235 -3.281 1.00 1.86 N ATOM 0 H LYS A 55 -9.086 17.749 0.403 1.00 0.29 H new ATOM 0 HA LYS A 55 -7.077 16.853 1.179 1.00 0.27 H new ATOM 0 HB2 LYS A 55 -6.741 17.332 -1.837 1.00 0.31 H new ATOM 0 HB3 LYS A 55 -5.669 16.291 -0.922 1.00 0.31 H new ATOM 0 HG2 LYS A 55 -7.536 14.823 -0.252 1.00 0.55 H new ATOM 0 HG3 LYS A 55 -8.721 15.944 -0.891 1.00 0.55 H new ATOM 0 HD2 LYS A 55 -6.617 14.530 -2.614 1.00 0.81 H new ATOM 0 HD3 LYS A 55 -8.255 13.944 -2.405 1.00 0.81 H new ATOM 0 HE2 LYS A 55 -7.459 16.645 -3.617 1.00 1.45 H new ATOM 0 HE3 LYS A 55 -8.074 15.264 -4.504 1.00 1.45 H new ATOM 0 HZ1 LYS A 55 -9.956 16.554 -4.170 1.00 1.86 H new ATOM 0 HZ2 LYS A 55 -10.072 15.446 -2.888 1.00 1.86 H new ATOM 0 HZ3 LYS A 55 -9.507 17.021 -2.600 1.00 1.86 H new ATOM 829 N THR A 56 -6.091 19.174 1.722 1.00 0.29 N ATOM 830 CA THR A 56 -5.148 20.188 2.297 1.00 0.34 C ATOM 831 C THR A 56 -4.881 19.809 3.757 1.00 0.31 C ATOM 832 O THR A 56 -5.537 18.946 4.307 1.00 0.34 O ATOM 833 CB THR A 56 -5.838 21.559 2.181 1.00 0.42 C ATOM 834 OG1 THR A 56 -6.123 21.699 0.796 1.00 0.57 O ATOM 835 CG2 THR A 56 -4.887 22.726 2.451 1.00 0.55 C ATOM 0 H THR A 56 -6.969 19.095 2.234 1.00 0.29 H new ATOM 0 HA THR A 56 -4.192 20.223 1.774 1.00 0.34 H new ATOM 0 HB THR A 56 -6.676 21.587 2.878 1.00 0.42 H new ATOM 0 HG1 THR A 56 -6.853 21.094 0.549 1.00 0.57 H new ATOM 0 HG21 THR A 56 -5.429 23.667 2.355 1.00 0.55 H new ATOM 0 HG22 THR A 56 -4.484 22.641 3.460 1.00 0.55 H new ATOM 0 HG23 THR A 56 -4.069 22.703 1.731 1.00 0.55 H new ATOM 843 N PHE A 57 -3.920 20.461 4.353 1.00 0.28 N ATOM 844 CA PHE A 57 -3.569 20.178 5.778 1.00 0.24 C ATOM 845 C PHE A 57 -3.754 21.534 6.467 1.00 0.21 C ATOM 846 O PHE A 57 -3.677 22.550 5.807 1.00 0.25 O ATOM 847 CB PHE A 57 -2.124 19.676 5.809 1.00 0.25 C ATOM 848 CG PHE A 57 -1.968 18.573 6.870 1.00 0.22 C ATOM 849 CD1 PHE A 57 -2.127 18.853 8.207 1.00 0.24 C ATOM 850 CD2 PHE A 57 -1.685 17.270 6.487 1.00 0.26 C ATOM 851 CE1 PHE A 57 -2.014 17.860 9.154 1.00 0.26 C ATOM 852 CE2 PHE A 57 -1.572 16.271 7.435 1.00 0.27 C ATOM 853 CZ PHE A 57 -1.738 16.569 8.772 1.00 0.27 C ATOM 0 H PHE A 57 -3.356 21.186 3.910 1.00 0.28 H new ATOM 0 HA PHE A 57 -4.171 19.415 6.272 1.00 0.24 H new ATOM 0 HB2 PHE A 57 -1.844 19.290 4.829 1.00 0.25 H new ATOM 0 HB3 PHE A 57 -1.449 20.502 6.031 1.00 0.25 H new ATOM 0 HD1 PHE A 57 -2.343 19.864 8.518 1.00 0.24 H new ATOM 0 HD2 PHE A 57 -1.552 17.035 5.441 1.00 0.26 H new ATOM 0 HE1 PHE A 57 -2.143 18.096 10.200 1.00 0.26 H new ATOM 0 HE2 PHE A 57 -1.354 15.258 7.130 1.00 0.27 H new ATOM 0 HZ PHE A 57 -1.651 15.791 9.516 1.00 0.27 H new ATOM 863 N THR A 58 -3.988 21.566 7.752 1.00 0.23 N ATOM 864 CA THR A 58 -4.176 22.895 8.422 1.00 0.24 C ATOM 865 C THR A 58 -3.648 22.977 9.845 1.00 0.25 C ATOM 866 O THR A 58 -3.678 22.025 10.596 1.00 0.31 O ATOM 867 CB THR A 58 -5.637 23.257 8.561 1.00 0.32 C ATOM 868 OG1 THR A 58 -6.314 22.694 7.443 1.00 0.43 O ATOM 869 CG2 THR A 58 -5.866 24.786 8.451 1.00 0.45 C ATOM 0 H THR A 58 -4.057 20.750 8.360 1.00 0.23 H new ATOM 0 HA THR A 58 -3.619 23.564 7.766 1.00 0.24 H new ATOM 0 HB THR A 58 -5.987 22.898 9.529 1.00 0.32 H new ATOM 0 HG1 THR A 58 -7.269 22.907 7.498 1.00 0.43 H new ATOM 0 HG21 THR A 58 -6.929 25.003 8.556 1.00 0.45 H new ATOM 0 HG22 THR A 58 -5.312 25.295 9.240 1.00 0.45 H new ATOM 0 HG23 THR A 58 -5.518 25.137 7.479 1.00 0.45 H new ATOM 877 N VAL A 59 -3.195 24.157 10.145 1.00 0.27 N ATOM 878 CA VAL A 59 -2.647 24.467 11.481 1.00 0.28 C ATOM 879 C VAL A 59 -3.244 25.811 11.911 1.00 0.29 C ATOM 880 O VAL A 59 -3.074 26.834 11.280 1.00 0.40 O ATOM 881 CB VAL A 59 -1.146 24.484 11.323 1.00 0.26 C ATOM 882 CG1 VAL A 59 -0.728 25.389 10.226 1.00 0.28 C ATOM 883 CG2 VAL A 59 -0.408 24.791 12.636 1.00 0.33 C ATOM 0 H VAL A 59 -3.184 24.943 9.495 1.00 0.27 H new ATOM 0 HA VAL A 59 -2.896 23.744 12.258 1.00 0.28 H new ATOM 0 HB VAL A 59 -0.852 23.472 11.046 1.00 0.26 H new ATOM 0 HG11 VAL A 59 0.358 25.378 10.139 1.00 0.28 H new ATOM 0 HG12 VAL A 59 -1.170 25.053 9.288 1.00 0.28 H new ATOM 0 HG13 VAL A 59 -1.064 26.403 10.443 1.00 0.28 H new ATOM 0 HG21 VAL A 59 0.667 24.789 12.458 1.00 0.33 H new ATOM 0 HG22 VAL A 59 -0.713 25.770 13.005 1.00 0.33 H new ATOM 0 HG23 VAL A 59 -0.654 24.031 13.378 1.00 0.33 H new ATOM 893 N THR A 60 -3.955 25.748 12.993 1.00 0.30 N ATOM 894 CA THR A 60 -4.614 26.975 13.555 1.00 0.32 C ATOM 895 C THR A 60 -4.158 27.137 15.008 1.00 0.32 C ATOM 896 O THR A 60 -3.733 26.170 15.598 1.00 0.33 O ATOM 897 CB THR A 60 -6.146 26.781 13.461 1.00 0.42 C ATOM 898 OG1 THR A 60 -6.426 26.574 12.080 1.00 0.51 O ATOM 899 CG2 THR A 60 -6.916 28.055 13.803 1.00 0.53 C ATOM 0 H THR A 60 -4.116 24.894 13.527 1.00 0.30 H new ATOM 0 HA THR A 60 -4.341 27.874 13.003 1.00 0.32 H new ATOM 0 HB THR A 60 -6.432 25.976 14.138 1.00 0.42 H new ATOM 0 HG1 THR A 60 -7.389 26.442 11.958 1.00 0.51 H new ATOM 0 HG21 THR A 60 -7.986 27.866 13.722 1.00 0.53 H new ATOM 0 HG22 THR A 60 -6.678 28.362 14.821 1.00 0.53 H new ATOM 0 HG23 THR A 60 -6.634 28.848 13.110 1.00 0.53 H new ATOM 907 N GLU A 61 -4.260 28.327 15.547 1.00 0.36 N ATOM 908 CA GLU A 61 -3.828 28.557 16.966 1.00 0.40 C ATOM 909 C GLU A 61 -5.013 29.146 17.734 1.00 0.50 C ATOM 910 O GLU A 61 -4.933 30.181 18.368 1.00 0.60 O ATOM 911 CB GLU A 61 -2.629 29.539 16.984 1.00 0.43 C ATOM 912 CG GLU A 61 -1.433 29.040 16.132 1.00 0.41 C ATOM 913 CD GLU A 61 -0.914 27.661 16.591 1.00 0.49 C ATOM 914 OE1 GLU A 61 -0.348 27.615 17.672 1.00 0.69 O ATOM 915 OE2 GLU A 61 -1.109 26.725 15.833 1.00 0.56 O ATOM 0 H GLU A 61 -4.623 29.151 15.068 1.00 0.36 H new ATOM 0 HA GLU A 61 -3.516 27.622 17.432 1.00 0.40 H new ATOM 0 HB2 GLU A 61 -2.955 30.510 16.612 1.00 0.43 H new ATOM 0 HB3 GLU A 61 -2.300 29.686 18.013 1.00 0.43 H new ATOM 0 HG2 GLU A 61 -1.736 28.981 15.087 1.00 0.41 H new ATOM 0 HG3 GLU A 61 -0.623 29.767 16.189 1.00 0.41 H new ATOM 922 N LYS A 62 -6.097 28.432 17.624 1.00 0.52 N ATOM 923 CA LYS A 62 -7.375 28.819 18.293 1.00 0.62 C ATOM 924 C LYS A 62 -7.966 27.598 19.028 1.00 0.63 C ATOM 925 O LYS A 62 -7.485 26.500 18.835 1.00 0.70 O ATOM 926 CB LYS A 62 -8.340 29.347 17.189 1.00 0.65 C ATOM 927 CG LYS A 62 -7.985 30.813 16.808 1.00 0.77 C ATOM 928 CD LYS A 62 -6.963 30.869 15.646 1.00 0.63 C ATOM 929 CE LYS A 62 -6.451 32.305 15.446 1.00 0.74 C ATOM 930 NZ LYS A 62 -5.635 32.734 16.622 1.00 0.84 N ATOM 0 H LYS A 62 -6.154 27.570 17.082 1.00 0.52 H new ATOM 0 HA LYS A 62 -7.214 29.599 19.038 1.00 0.62 H new ATOM 0 HB2 LYS A 62 -8.275 28.710 16.307 1.00 0.65 H new ATOM 0 HB3 LYS A 62 -9.369 29.297 17.544 1.00 0.65 H new ATOM 0 HG2 LYS A 62 -8.892 31.345 16.521 1.00 0.77 H new ATOM 0 HG3 LYS A 62 -7.576 31.327 17.678 1.00 0.77 H new ATOM 0 HD2 LYS A 62 -6.125 30.205 15.859 1.00 0.63 H new ATOM 0 HD3 LYS A 62 -7.428 30.512 14.727 1.00 0.63 H new ATOM 0 HE2 LYS A 62 -5.850 32.361 14.538 1.00 0.74 H new ATOM 0 HE3 LYS A 62 -7.294 32.983 15.313 1.00 0.74 H new ATOM 0 HZ1 LYS A 62 -6.021 33.619 17.008 1.00 0.84 H new ATOM 0 HZ2 LYS A 62 -5.665 31.995 17.353 1.00 0.84 H new ATOM 0 HZ3 LYS A 62 -4.650 32.887 16.324 1.00 0.84 H new ATOM 944 N PRO A 63 -8.973 27.790 19.858 1.00 0.68 N ATOM 945 CA PRO A 63 -9.595 26.656 20.590 1.00 0.80 C ATOM 946 C PRO A 63 -10.380 25.821 19.572 1.00 0.72 C ATOM 947 O PRO A 63 -10.284 24.610 19.549 1.00 0.81 O ATOM 948 CB PRO A 63 -10.461 27.317 21.676 1.00 1.06 C ATOM 949 CG PRO A 63 -10.737 28.768 21.176 1.00 1.37 C ATOM 950 CD PRO A 63 -9.590 29.111 20.186 1.00 0.81 C ATOM 0 HA PRO A 63 -8.898 25.968 21.068 1.00 0.80 H new ATOM 0 HB2 PRO A 63 -11.392 26.769 21.820 1.00 1.06 H new ATOM 0 HB3 PRO A 63 -9.945 27.326 22.636 1.00 1.06 H new ATOM 0 HG2 PRO A 63 -11.708 28.832 20.684 1.00 1.37 H new ATOM 0 HG3 PRO A 63 -10.755 29.470 22.010 1.00 1.37 H new ATOM 0 HD2 PRO A 63 -9.971 29.604 19.292 1.00 0.81 H new ATOM 0 HD3 PRO A 63 -8.864 29.787 20.638 1.00 0.81 H new ATOM 958 N GLU A 64 -11.133 26.520 18.763 1.00 0.76 N ATOM 959 CA GLU A 64 -11.963 25.875 17.703 1.00 0.92 C ATOM 960 C GLU A 64 -11.533 26.446 16.342 1.00 0.99 C ATOM 961 O GLU A 64 -11.458 25.656 15.417 1.00 1.14 O ATOM 962 CB GLU A 64 -13.448 26.176 17.963 1.00 1.19 C ATOM 963 CG GLU A 64 -13.861 25.528 19.303 1.00 1.30 C ATOM 964 CD GLU A 64 -15.340 25.829 19.593 1.00 1.60 C ATOM 965 OE1 GLU A 64 -15.624 26.998 19.799 1.00 1.76 O ATOM 966 OE2 GLU A 64 -16.101 24.875 19.593 1.00 1.74 O ATOM 967 OXT GLU A 64 -11.305 27.645 16.298 1.00 1.06 O ATOM 0 H GLU A 64 -11.209 27.537 18.794 1.00 0.76 H new ATOM 0 HA GLU A 64 -11.822 24.794 17.710 1.00 0.92 H new ATOM 0 HB2 GLU A 64 -13.614 27.253 17.998 1.00 1.19 H new ATOM 0 HB3 GLU A 64 -14.060 25.785 17.150 1.00 1.19 H new ATOM 0 HG2 GLU A 64 -13.701 24.451 19.261 1.00 1.30 H new ATOM 0 HG3 GLU A 64 -13.237 25.912 20.110 1.00 1.30 H new TER 974 GLU A 64