USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 ASP N :NH3+ -175:sc= 0 (180deg=-0.0174) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 9 THR OG1 : rot 134:sc= -0.356 USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -0.0119 (180deg=-0.186) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.17 X(o=-2.2,f=-2.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0205 X(o=-0.02,f=-0.02) USER MOD Single : A 30 THR OG1 : rot 40:sc= 0.102 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.95 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= -2.23! (180deg=-2.46!) USER MOD Single : A 41 ASN : amide:sc= -8.53! C(o=-8.5!,f=-9.8!) USER MOD Single : A 42 ASN : amide:sc= -2.74! C(o=-2.7!,f=-3.1!) USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.19) USER MOD Single : A 45 SER OG : rot 159:sc= 0.446 USER MOD Single : A 50 MET CE :methyl -154:sc= -1.33 (180deg=-1.97) USER MOD Single : A 52 THR OG1 : rot 95:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.891 15.585 7.943 1.00 0.00 N ATOM 2 CA ASP A 1 -10.046 14.457 6.985 1.00 0.00 C ATOM 3 C ASP A 1 -8.829 14.340 6.073 1.00 0.00 C ATOM 4 O ASP A 1 -8.367 15.339 5.513 1.00 0.00 O ATOM 5 CB ASP A 1 -11.311 14.685 6.148 1.00 0.00 C ATOM 6 CG ASP A 1 -12.587 14.603 6.969 1.00 0.00 C ATOM 7 OD1 ASP A 1 -12.852 13.529 7.551 1.00 0.00 O ATOM 8 OD2 ASP A 1 -13.319 15.613 7.030 1.00 0.00 O ATOM 0 H1 ASP A 1 -10.692 15.590 8.606 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.004 15.471 8.473 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.869 16.484 7.420 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.133 13.526 7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -11.254 15.664 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.351 13.944 5.350 1.00 0.00 H new ATOM 15 N PHE A 2 -8.320 13.112 5.933 1.00 0.00 N ATOM 16 CA PHE A 2 -7.153 12.841 5.092 1.00 0.00 C ATOM 17 C PHE A 2 -7.496 11.771 4.033 1.00 0.00 C ATOM 18 O PHE A 2 -8.643 11.701 3.581 1.00 0.00 O ATOM 19 CB PHE A 2 -5.945 12.443 5.983 1.00 0.00 C ATOM 20 CG PHE A 2 -6.073 11.122 6.712 1.00 0.00 C ATOM 21 CD1 PHE A 2 -7.013 10.938 7.719 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.244 10.065 6.377 1.00 0.00 C ATOM 23 CE1 PHE A 2 -7.120 9.724 8.372 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.347 8.852 7.027 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.287 8.680 8.025 1.00 0.00 C ATOM 0 H PHE A 2 -8.702 12.286 6.395 1.00 0.00 H new ATOM 0 HA PHE A 2 -6.868 13.741 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.053 12.407 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.786 13.230 6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.667 11.752 7.994 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.508 10.191 5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.855 9.593 9.153 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.693 8.037 6.756 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.370 7.730 8.533 1.00 0.00 H new ATOM 35 N CYS A 3 -6.493 10.944 3.635 1.00 0.00 N ATOM 36 CA CYS A 3 -6.649 9.861 2.622 1.00 0.00 C ATOM 37 C CYS A 3 -6.844 10.406 1.199 1.00 0.00 C ATOM 38 O CYS A 3 -6.742 9.654 0.225 1.00 0.00 O ATOM 39 CB CYS A 3 -7.819 8.917 2.961 1.00 0.00 C ATOM 40 SG CYS A 3 -7.890 7.425 1.910 1.00 0.00 S ATOM 0 H CYS A 3 -5.546 11.009 4.010 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.715 9.301 2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.737 8.612 4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.756 9.465 2.862 1.00 0.00 H new ATOM 45 N LEU A 4 -7.137 11.704 1.092 1.00 0.00 N ATOM 46 CA LEU A 4 -7.363 12.347 -0.198 1.00 0.00 C ATOM 47 C LEU A 4 -6.063 12.963 -0.745 1.00 0.00 C ATOM 48 O LEU A 4 -6.052 14.077 -1.288 1.00 0.00 O ATOM 49 CB LEU A 4 -8.492 13.388 -0.039 1.00 0.00 C ATOM 50 CG LEU A 4 -9.073 14.006 -1.326 1.00 0.00 C ATOM 51 CD1 LEU A 4 -9.516 12.942 -2.323 1.00 0.00 C ATOM 52 CD2 LEU A 4 -10.250 14.890 -0.966 1.00 0.00 C ATOM 0 H LEU A 4 -7.223 12.332 1.891 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.676 11.608 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.309 12.918 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.117 14.199 0.585 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.287 14.593 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.919 13.424 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.662 12.324 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.285 12.316 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.665 15.330 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.015 14.293 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.918 15.684 -0.297 1.00 0.00 H new ATOM 64 N GLU A 5 -4.974 12.201 -0.607 1.00 0.00 N ATOM 65 CA GLU A 5 -3.654 12.611 -1.082 1.00 0.00 C ATOM 66 C GLU A 5 -3.028 11.490 -1.922 1.00 0.00 C ATOM 67 O GLU A 5 -3.241 10.311 -1.620 1.00 0.00 O ATOM 68 CB GLU A 5 -2.725 12.964 0.092 1.00 0.00 C ATOM 69 CG GLU A 5 -3.126 14.221 0.871 1.00 0.00 C ATOM 70 CD GLU A 5 -4.270 14.010 1.863 1.00 0.00 C ATOM 71 OE1 GLU A 5 -4.724 12.855 2.040 1.00 0.00 O ATOM 72 OE2 GLU A 5 -4.706 15.008 2.473 1.00 0.00 O ATOM 0 H GLU A 5 -4.985 11.283 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.778 13.502 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.696 12.120 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.713 13.098 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.255 14.592 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.414 14.997 0.162 1.00 0.00 H new ATOM 79 N PRO A 6 -2.248 11.822 -2.995 1.00 0.00 N ATOM 80 CA PRO A 6 -1.610 10.813 -3.866 1.00 0.00 C ATOM 81 C PRO A 6 -0.447 10.081 -3.177 1.00 0.00 C ATOM 82 O PRO A 6 0.172 10.637 -2.266 1.00 0.00 O ATOM 83 CB PRO A 6 -1.087 11.627 -5.061 1.00 0.00 C ATOM 84 CG PRO A 6 -1.694 12.984 -4.926 1.00 0.00 C ATOM 85 CD PRO A 6 -1.929 13.187 -3.460 1.00 0.00 C ATOM 0 HA PRO A 6 -2.317 10.031 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.002 11.683 -5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.373 11.163 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.029 13.750 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.628 13.051 -5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.049 13.591 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.748 13.881 -3.273 1.00 0.00 H new ATOM 93 N PRO A 7 -0.125 8.816 -3.599 1.00 0.00 N ATOM 94 CA PRO A 7 0.974 8.014 -3.012 1.00 0.00 C ATOM 95 C PRO A 7 2.340 8.706 -3.095 1.00 0.00 C ATOM 96 O PRO A 7 2.706 9.247 -4.142 1.00 0.00 O ATOM 97 CB PRO A 7 0.952 6.734 -3.866 1.00 0.00 C ATOM 98 CG PRO A 7 0.293 7.138 -5.128 1.00 0.00 C ATOM 99 CD PRO A 7 -0.793 8.047 -4.673 1.00 0.00 C ATOM 0 HA PRO A 7 0.831 7.843 -1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.960 6.361 -4.047 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.401 5.935 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.986 7.645 -5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.103 6.278 -5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.147 8.693 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.657 7.496 -4.302 1.00 0.00 H new ATOM 107 N TYR A 8 3.071 8.691 -1.977 1.00 0.00 N ATOM 108 CA TYR A 8 4.386 9.327 -1.903 1.00 0.00 C ATOM 109 C TYR A 8 5.532 8.291 -1.920 1.00 0.00 C ATOM 110 O TYR A 8 6.683 8.626 -1.621 1.00 0.00 O ATOM 111 CB TYR A 8 4.448 10.240 -0.653 1.00 0.00 C ATOM 112 CG TYR A 8 5.718 11.077 -0.504 1.00 0.00 C ATOM 113 CD1 TYR A 8 6.390 11.599 -1.611 1.00 0.00 C ATOM 114 CD2 TYR A 8 6.244 11.330 0.755 1.00 0.00 C ATOM 115 CE1 TYR A 8 7.542 12.341 -1.464 1.00 0.00 C ATOM 116 CE2 TYR A 8 7.398 12.077 0.910 1.00 0.00 C ATOM 117 CZ TYR A 8 8.044 12.578 -0.202 1.00 0.00 C ATOM 118 OH TYR A 8 9.193 13.319 -0.050 1.00 0.00 O ATOM 0 H TYR A 8 2.772 8.244 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 8 4.526 9.942 -2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.592 10.914 -0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.340 9.617 0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.000 11.418 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.744 10.937 1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.049 12.735 -2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.792 12.267 1.897 1.00 0.00 H new ATOM 0 HH TYR A 8 9.410 13.394 0.903 1.00 0.00 H new ATOM 128 N THR A 9 5.207 7.029 -2.272 1.00 0.00 N ATOM 129 CA THR A 9 6.193 5.917 -2.337 1.00 0.00 C ATOM 130 C THR A 9 7.502 6.319 -3.068 1.00 0.00 C ATOM 131 O THR A 9 8.561 5.737 -2.812 1.00 0.00 O ATOM 132 CB THR A 9 5.552 4.693 -3.025 1.00 0.00 C ATOM 133 OG1 THR A 9 4.248 4.463 -2.519 1.00 0.00 O ATOM 134 CG2 THR A 9 6.329 3.399 -2.842 1.00 0.00 C ATOM 0 H THR A 9 4.258 6.748 -2.519 1.00 0.00 H new ATOM 0 HA THR A 9 6.469 5.666 -1.313 1.00 0.00 H new ATOM 0 HB THR A 9 5.545 4.946 -4.085 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.632 4.303 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.812 2.588 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.329 3.513 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.403 3.166 -1.780 1.00 0.00 H new ATOM 142 N GLY A 10 7.408 7.339 -3.944 1.00 0.00 N ATOM 143 CA GLY A 10 8.564 7.858 -4.685 1.00 0.00 C ATOM 144 C GLY A 10 9.349 6.792 -5.460 1.00 0.00 C ATOM 145 O GLY A 10 8.739 5.879 -6.025 1.00 0.00 O ATOM 0 H GLY A 10 6.533 7.820 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.220 8.619 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.238 8.351 -3.984 1.00 0.00 H new ATOM 149 N PRO A 11 10.715 6.880 -5.502 1.00 0.00 N ATOM 150 CA PRO A 11 11.568 5.909 -6.215 1.00 0.00 C ATOM 151 C PRO A 11 11.789 4.605 -5.430 1.00 0.00 C ATOM 152 O PRO A 11 12.410 3.667 -5.939 1.00 0.00 O ATOM 153 CB PRO A 11 12.906 6.651 -6.390 1.00 0.00 C ATOM 154 CG PRO A 11 12.704 8.022 -5.820 1.00 0.00 C ATOM 155 CD PRO A 11 11.545 7.921 -4.872 1.00 0.00 C ATOM 0 HA PRO A 11 11.105 5.598 -7.152 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.711 6.129 -5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.186 6.705 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.600 8.363 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.498 8.744 -6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.863 7.636 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.011 8.867 -4.780 1.00 0.00 H new ATOM 163 N CYS A 12 11.270 4.560 -4.192 1.00 0.00 N ATOM 164 CA CYS A 12 11.392 3.386 -3.325 1.00 0.00 C ATOM 165 C CYS A 12 10.284 2.365 -3.579 1.00 0.00 C ATOM 166 O CYS A 12 9.131 2.728 -3.825 1.00 0.00 O ATOM 167 CB CYS A 12 11.430 3.816 -1.852 1.00 0.00 C ATOM 168 SG CYS A 12 12.851 3.158 -0.932 1.00 0.00 S ATOM 0 H CYS A 12 10.757 5.334 -3.770 1.00 0.00 H new ATOM 0 HA CYS A 12 12.332 2.890 -3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.449 4.905 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.511 3.490 -1.364 1.00 0.00 H new ATOM 173 N LYS A 13 10.668 1.082 -3.527 1.00 0.00 N ATOM 174 CA LYS A 13 9.759 -0.036 -3.754 1.00 0.00 C ATOM 175 C LYS A 13 9.987 -1.108 -2.689 1.00 0.00 C ATOM 176 O LYS A 13 10.763 -2.055 -2.875 1.00 0.00 O ATOM 177 CB LYS A 13 9.937 -0.633 -5.169 1.00 0.00 C ATOM 178 CG LYS A 13 9.530 0.297 -6.319 1.00 0.00 C ATOM 179 CD LYS A 13 10.647 1.268 -6.731 1.00 0.00 C ATOM 180 CE LYS A 13 11.708 0.614 -7.616 1.00 0.00 C ATOM 181 NZ LYS A 13 11.169 0.219 -8.951 1.00 0.00 N ATOM 0 H LYS A 13 11.626 0.795 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 13 8.736 0.334 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.982 -0.913 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.350 -1.549 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.243 -0.305 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.651 0.869 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.209 2.113 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.124 1.666 -5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.540 1.305 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.105 -0.267 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.958 0.020 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.581 -0.633 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.592 0.994 -9.336 1.00 0.00 H new ATOM 195 N ALA A 14 9.307 -0.921 -1.562 1.00 0.00 N ATOM 196 CA ALA A 14 9.400 -1.830 -0.412 1.00 0.00 C ATOM 197 C ALA A 14 8.568 -3.109 -0.634 1.00 0.00 C ATOM 198 O ALA A 14 8.143 -3.384 -1.760 1.00 0.00 O ATOM 199 CB ALA A 14 8.962 -1.095 0.851 1.00 0.00 C ATOM 0 H ALA A 14 8.673 -0.135 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 14 10.437 -2.146 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.030 -1.768 1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.610 -0.234 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.932 -0.757 0.737 1.00 0.00 H new ATOM 205 N ARG A 15 8.363 -3.893 0.436 1.00 0.00 N ATOM 206 CA ARG A 15 7.605 -5.148 0.354 1.00 0.00 C ATOM 207 C ARG A 15 6.362 -5.116 1.264 1.00 0.00 C ATOM 208 O ARG A 15 5.961 -6.137 1.837 1.00 0.00 O ATOM 209 CB ARG A 15 8.534 -6.351 0.695 1.00 0.00 C ATOM 210 CG ARG A 15 8.994 -6.449 2.163 1.00 0.00 C ATOM 211 CD ARG A 15 9.986 -5.348 2.553 1.00 0.00 C ATOM 212 NE ARG A 15 10.085 -5.163 4.012 1.00 0.00 N ATOM 213 CZ ARG A 15 10.731 -5.986 4.858 1.00 0.00 C ATOM 214 NH1 ARG A 15 11.365 -7.070 4.414 1.00 0.00 N ATOM 215 NH2 ARG A 15 10.739 -5.716 6.157 1.00 0.00 N ATOM 0 H ARG A 15 8.713 -3.678 1.370 1.00 0.00 H new ATOM 0 HA ARG A 15 7.244 -5.270 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.013 -7.273 0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.418 -6.294 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.123 -6.394 2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.456 -7.422 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.970 -5.593 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.680 -4.409 2.092 1.00 0.00 H new ATOM 0 HE ARG A 15 9.627 -4.345 4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.366 -7.288 3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.849 -7.682 5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.257 -4.889 6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.227 -6.336 6.804 1.00 0.00 H new ATOM 229 N ILE A 16 5.764 -3.931 1.386 1.00 0.00 N ATOM 230 CA ILE A 16 4.573 -3.738 2.221 1.00 0.00 C ATOM 231 C ILE A 16 3.494 -2.955 1.447 1.00 0.00 C ATOM 232 O ILE A 16 3.308 -1.752 1.657 1.00 0.00 O ATOM 233 CB ILE A 16 4.925 -3.012 3.570 1.00 0.00 C ATOM 234 CG1 ILE A 16 6.047 -3.757 4.325 1.00 0.00 C ATOM 235 CG2 ILE A 16 3.681 -2.895 4.467 1.00 0.00 C ATOM 236 CD1 ILE A 16 6.812 -2.895 5.317 1.00 0.00 C ATOM 0 H ILE A 16 6.085 -3.085 0.916 1.00 0.00 H new ATOM 0 HA ILE A 16 4.179 -4.723 2.471 1.00 0.00 H new ATOM 0 HB ILE A 16 5.278 -2.011 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.612 -4.603 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.750 -4.165 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.948 -2.389 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.912 -2.322 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.300 -3.891 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.581 -3.495 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.280 -2.063 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.124 -2.508 6.069 1.00 0.00 H new ATOM 248 N ILE A 17 2.778 -3.660 0.551 1.00 0.00 N ATOM 249 CA ILE A 17 1.700 -3.064 -0.266 1.00 0.00 C ATOM 250 C ILE A 17 0.553 -2.622 0.640 1.00 0.00 C ATOM 251 O ILE A 17 0.289 -3.224 1.686 1.00 0.00 O ATOM 252 CB ILE A 17 1.157 -4.058 -1.351 1.00 0.00 C ATOM 253 CG1 ILE A 17 2.290 -4.790 -2.094 1.00 0.00 C ATOM 254 CG2 ILE A 17 0.277 -3.336 -2.372 1.00 0.00 C ATOM 255 CD1 ILE A 17 2.776 -6.051 -1.405 1.00 0.00 C ATOM 0 H ILE A 17 2.928 -4.653 0.372 1.00 0.00 H new ATOM 0 HA ILE A 17 2.123 -2.205 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 17 0.563 -4.797 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.945 -5.047 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.131 -4.107 -2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.084 -4.051 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.572 -2.880 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.859 -2.561 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.573 -6.504 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.155 -5.801 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.950 -6.756 -1.311 1.00 0.00 H new ATOM 267 N ARG A 18 -0.075 -1.529 0.229 1.00 0.00 N ATOM 268 CA ARG A 18 -1.157 -0.898 0.962 1.00 0.00 C ATOM 269 C ARG A 18 -2.149 -0.236 0.001 1.00 0.00 C ATOM 270 O ARG A 18 -1.875 -0.121 -1.193 1.00 0.00 O ATOM 271 CB ARG A 18 -0.529 0.123 1.904 1.00 0.00 C ATOM 272 CG ARG A 18 -0.258 -0.428 3.295 1.00 0.00 C ATOM 273 CD ARG A 18 0.421 0.598 4.186 1.00 0.00 C ATOM 274 NE ARG A 18 0.676 0.069 5.531 1.00 0.00 N ATOM 275 CZ ARG A 18 1.235 0.765 6.532 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.604 2.033 6.369 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.423 0.181 7.709 1.00 0.00 N ATOM 0 H ARG A 18 0.160 -1.049 -0.640 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.721 -1.636 1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.407 0.477 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.189 0.986 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.197 -0.741 3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.370 -1.315 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.363 0.907 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.205 1.488 4.258 1.00 0.00 H new ATOM 0 HE ARG A 18 0.409 -0.897 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.463 2.494 5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.027 2.544 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.143 -0.790 7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.847 0.703 8.475 1.00 0.00 H new ATOM 291 N TYR A 19 -3.307 0.180 0.524 1.00 0.00 N ATOM 292 CA TYR A 19 -4.348 0.809 -0.293 1.00 0.00 C ATOM 293 C TYR A 19 -4.543 2.277 0.068 1.00 0.00 C ATOM 294 O TYR A 19 -4.370 2.671 1.232 1.00 0.00 O ATOM 295 CB TYR A 19 -5.688 0.068 -0.127 1.00 0.00 C ATOM 296 CG TYR A 19 -5.755 -1.337 -0.721 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.700 -2.241 -0.608 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.904 -1.760 -1.379 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.789 -3.516 -1.134 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.998 -3.032 -1.910 1.00 0.00 C ATOM 301 CZ TYR A 19 -5.940 -3.906 -1.784 1.00 0.00 C ATOM 302 OH TYR A 19 -6.033 -5.175 -2.309 1.00 0.00 O ATOM 0 H TYR A 19 -3.547 0.092 1.512 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.018 0.748 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.914 0.002 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.473 0.671 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.796 -1.939 -0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.739 -1.082 -1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.961 -4.203 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.898 -3.340 -2.422 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.909 -5.290 -2.733 1.00 0.00 H new ATOM 312 N PHE A 20 -4.917 3.065 -0.953 1.00 0.00 N ATOM 313 CA PHE A 20 -5.175 4.504 -0.808 1.00 0.00 C ATOM 314 C PHE A 20 -6.381 4.899 -1.681 1.00 0.00 C ATOM 315 O PHE A 20 -6.648 4.246 -2.691 1.00 0.00 O ATOM 316 CB PHE A 20 -3.911 5.320 -1.190 1.00 0.00 C ATOM 317 CG PHE A 20 -3.780 5.651 -2.657 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.283 4.724 -3.560 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.189 6.888 -3.128 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.195 5.030 -4.906 1.00 0.00 C ATOM 321 CE2 PHE A 20 -4.108 7.194 -4.470 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.612 6.266 -5.360 1.00 0.00 C ATOM 0 H PHE A 20 -5.049 2.720 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.411 4.729 0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.913 6.251 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.029 4.760 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.962 3.754 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.576 7.621 -2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.801 4.303 -5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.433 8.161 -4.824 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.549 6.505 -6.411 1.00 0.00 H new ATOM 332 N TYR A 21 -7.104 5.957 -1.293 1.00 0.00 N ATOM 333 CA TYR A 21 -8.283 6.429 -2.043 1.00 0.00 C ATOM 334 C TYR A 21 -7.896 7.348 -3.211 1.00 0.00 C ATOM 335 O TYR A 21 -6.990 8.177 -3.087 1.00 0.00 O ATOM 336 CB TYR A 21 -9.234 7.177 -1.066 1.00 0.00 C ATOM 337 CG TYR A 21 -10.322 8.060 -1.690 1.00 0.00 C ATOM 338 CD1 TYR A 21 -11.173 7.602 -2.697 1.00 0.00 C ATOM 339 CD2 TYR A 21 -10.482 9.371 -1.256 1.00 0.00 C ATOM 340 CE1 TYR A 21 -12.140 8.429 -3.245 1.00 0.00 C ATOM 341 CE2 TYR A 21 -11.449 10.196 -1.797 1.00 0.00 C ATOM 342 CZ TYR A 21 -12.273 9.720 -2.790 1.00 0.00 C ATOM 343 OH TYR A 21 -13.235 10.542 -3.333 1.00 0.00 O ATOM 0 H TYR A 21 -6.895 6.507 -0.460 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.785 5.562 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.722 6.435 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.625 7.801 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.076 6.587 -3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.836 9.753 -0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.787 8.061 -4.027 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.557 11.210 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 21 -13.197 11.420 -2.900 1.00 0.00 H new ATOM 353 N ASN A 22 -8.656 7.234 -4.311 1.00 0.00 N ATOM 354 CA ASN A 22 -8.490 8.082 -5.471 1.00 0.00 C ATOM 355 C ASN A 22 -9.818 8.769 -5.743 1.00 0.00 C ATOM 356 O ASN A 22 -10.840 8.098 -5.934 1.00 0.00 O ATOM 357 CB ASN A 22 -8.085 7.281 -6.699 1.00 0.00 C ATOM 358 CG ASN A 22 -6.631 6.872 -6.698 1.00 0.00 C ATOM 359 OD1 ASN A 22 -5.743 7.714 -6.818 1.00 0.00 O ATOM 360 ND2 ASN A 22 -6.381 5.575 -6.571 1.00 0.00 N ATOM 0 H ASN A 22 -9.402 6.545 -4.408 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.700 8.805 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.706 6.387 -6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.287 7.872 -7.592 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.418 5.239 -6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.152 4.914 -6.474 1.00 0.00 H new ATOM 367 N ALA A 23 -9.810 10.102 -5.754 1.00 0.00 N ATOM 368 CA ALA A 23 -11.031 10.873 -5.998 1.00 0.00 C ATOM 369 C ALA A 23 -11.369 10.943 -7.497 1.00 0.00 C ATOM 370 O ALA A 23 -12.259 11.699 -7.906 1.00 0.00 O ATOM 371 CB ALA A 23 -10.888 12.274 -5.412 1.00 0.00 C ATOM 0 H ALA A 23 -8.977 10.669 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.857 10.362 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.800 12.841 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.717 12.203 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.044 12.780 -5.881 1.00 0.00 H new ATOM 377 N LYS A 24 -10.663 10.137 -8.312 1.00 0.00 N ATOM 378 CA LYS A 24 -10.897 10.102 -9.757 1.00 0.00 C ATOM 379 C LYS A 24 -11.833 8.943 -10.113 1.00 0.00 C ATOM 380 O LYS A 24 -12.470 8.950 -11.171 1.00 0.00 O ATOM 381 CB LYS A 24 -9.559 9.969 -10.502 1.00 0.00 C ATOM 382 CG LYS A 24 -9.624 10.323 -11.992 1.00 0.00 C ATOM 383 CD LYS A 24 -8.270 10.176 -12.687 1.00 0.00 C ATOM 384 CE LYS A 24 -7.359 11.377 -12.450 1.00 0.00 C ATOM 385 NZ LYS A 24 -6.044 11.221 -13.133 1.00 0.00 N ATOM 0 H LYS A 24 -9.930 9.505 -7.990 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.373 11.033 -10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.824 10.613 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.201 8.945 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.353 9.679 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.977 11.348 -12.104 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.777 9.273 -12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.427 10.049 -13.758 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.850 12.281 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.199 11.505 -11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.455 12.058 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.564 10.372 -12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.194 11.124 -14.158 1.00 0.00 H new ATOM 399 N ALA A 25 -11.886 7.949 -9.221 1.00 0.00 N ATOM 400 CA ALA A 25 -12.712 6.761 -9.411 1.00 0.00 C ATOM 401 C ALA A 25 -13.523 6.415 -8.154 1.00 0.00 C ATOM 402 O ALA A 25 -14.432 5.580 -8.214 1.00 0.00 O ATOM 403 CB ALA A 25 -11.822 5.594 -9.806 1.00 0.00 C ATOM 0 H ALA A 25 -11.357 7.949 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.430 6.967 -10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.433 4.703 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.302 5.831 -10.734 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.092 5.410 -9.018 1.00 0.00 H new ATOM 409 N GLY A 26 -13.196 7.065 -7.023 1.00 0.00 N ATOM 410 CA GLY A 26 -13.904 6.820 -5.768 1.00 0.00 C ATOM 411 C GLY A 26 -13.330 5.657 -4.970 1.00 0.00 C ATOM 412 O GLY A 26 -13.254 5.718 -3.741 1.00 0.00 O ATOM 0 H GLY A 26 -12.450 7.758 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.870 7.722 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.954 6.621 -5.984 1.00 0.00 H new ATOM 416 N LEU A 27 -12.944 4.590 -5.682 1.00 0.00 N ATOM 417 CA LEU A 27 -12.386 3.383 -5.055 1.00 0.00 C ATOM 418 C LEU A 27 -10.920 3.576 -4.613 1.00 0.00 C ATOM 419 O LEU A 27 -10.328 4.653 -4.807 1.00 0.00 O ATOM 420 CB LEU A 27 -12.530 2.151 -5.985 1.00 0.00 C ATOM 421 CG LEU A 27 -12.037 2.307 -7.431 1.00 0.00 C ATOM 422 CD1 LEU A 27 -11.505 0.982 -7.954 1.00 0.00 C ATOM 423 CD2 LEU A 27 -13.165 2.803 -8.324 1.00 0.00 C ATOM 0 H LEU A 27 -13.008 4.538 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.968 3.198 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.991 1.319 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.583 1.870 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.230 3.040 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.159 1.108 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.675 0.651 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.299 0.235 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.800 2.909 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.987 2.087 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.517 3.769 -7.963 1.00 0.00 H new ATOM 435 N CYS A 28 -10.363 2.520 -3.999 1.00 0.00 N ATOM 436 CA CYS A 28 -8.993 2.524 -3.498 1.00 0.00 C ATOM 437 C CYS A 28 -8.061 1.762 -4.444 1.00 0.00 C ATOM 438 O CYS A 28 -8.486 0.840 -5.146 1.00 0.00 O ATOM 439 CB CYS A 28 -8.962 1.926 -2.084 1.00 0.00 C ATOM 440 SG CYS A 28 -9.731 2.996 -0.828 1.00 0.00 S ATOM 0 H CYS A 28 -10.856 1.642 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.634 3.552 -3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.474 0.964 -2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.927 1.733 -1.802 1.00 0.00 H new ATOM 445 N GLN A 29 -6.792 2.177 -4.452 1.00 0.00 N ATOM 446 CA GLN A 29 -5.767 1.571 -5.305 1.00 0.00 C ATOM 447 C GLN A 29 -4.673 0.914 -4.455 1.00 0.00 C ATOM 448 O GLN A 29 -4.506 1.248 -3.276 1.00 0.00 O ATOM 449 CB GLN A 29 -5.170 2.636 -6.246 1.00 0.00 C ATOM 450 CG GLN A 29 -4.388 2.082 -7.443 1.00 0.00 C ATOM 451 CD GLN A 29 -5.274 1.422 -8.489 1.00 0.00 C ATOM 452 OE1 GLN A 29 -6.143 2.063 -9.081 1.00 0.00 O ATOM 453 NE2 GLN A 29 -5.054 0.132 -8.721 1.00 0.00 N ATOM 0 H GLN A 29 -6.447 2.940 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.229 0.792 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.980 3.263 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.509 3.281 -5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.830 2.893 -7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.657 1.356 -7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.323 -0.361 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.616 -0.365 -9.412 1.00 0.00 H new ATOM 462 N THR A 30 -3.945 -0.030 -5.073 1.00 0.00 N ATOM 463 CA THR A 30 -2.868 -0.765 -4.400 1.00 0.00 C ATOM 464 C THR A 30 -1.504 -0.114 -4.634 1.00 0.00 C ATOM 465 O THR A 30 -1.098 0.114 -5.778 1.00 0.00 O ATOM 466 CB THR A 30 -2.831 -2.223 -4.883 1.00 0.00 C ATOM 467 OG1 THR A 30 -2.755 -2.286 -6.296 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.030 -3.043 -4.451 1.00 0.00 C ATOM 0 H THR A 30 -4.087 -0.302 -6.046 1.00 0.00 H new ATOM 0 HA THR A 30 -3.078 -0.739 -3.331 1.00 0.00 H new ATOM 0 HB THR A 30 -1.941 -2.648 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.153 -1.585 -6.623 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.931 -4.060 -4.830 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.083 -3.065 -3.362 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.940 -2.594 -4.849 1.00 0.00 H new ATOM 476 N PHE A 31 -0.806 0.165 -3.528 1.00 0.00 N ATOM 477 CA PHE A 31 0.525 0.775 -3.553 1.00 0.00 C ATOM 478 C PHE A 31 1.362 0.202 -2.396 1.00 0.00 C ATOM 479 O PHE A 31 0.838 -0.014 -1.310 1.00 0.00 O ATOM 480 CB PHE A 31 0.412 2.313 -3.461 1.00 0.00 C ATOM 481 CG PHE A 31 0.435 2.858 -2.061 1.00 0.00 C ATOM 482 CD1 PHE A 31 -0.727 2.977 -1.314 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.637 3.240 -1.499 1.00 0.00 C ATOM 484 CE1 PHE A 31 -0.681 3.471 -0.026 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.691 3.731 -0.220 1.00 0.00 C ATOM 486 CZ PHE A 31 0.532 3.849 0.524 1.00 0.00 C ATOM 0 H PHE A 31 -1.151 -0.027 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 31 1.023 0.540 -4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.232 2.759 -4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.514 2.626 -3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.673 2.682 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.547 3.151 -2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.589 3.562 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.639 4.025 0.206 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.573 4.235 1.532 1.00 0.00 H new ATOM 496 N VAL A 32 2.641 -0.058 -2.650 1.00 0.00 N ATOM 497 CA VAL A 32 3.557 -0.641 -1.667 1.00 0.00 C ATOM 498 C VAL A 32 4.262 0.427 -0.812 1.00 0.00 C ATOM 499 O VAL A 32 5.238 1.044 -1.251 1.00 0.00 O ATOM 500 CB VAL A 32 4.643 -1.513 -2.376 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.288 -2.495 -1.405 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.081 -2.263 -3.581 1.00 0.00 C ATOM 0 H VAL A 32 3.078 0.131 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 32 2.947 -1.259 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 32 5.407 -0.824 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.038 -3.086 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.763 -1.945 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.525 -3.158 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.871 -2.855 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.276 -2.922 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.694 -1.548 -4.307 1.00 0.00 H new ATOM 512 N TYR A 33 3.769 0.617 0.421 1.00 0.00 N ATOM 513 CA TYR A 33 4.352 1.580 1.368 1.00 0.00 C ATOM 514 C TYR A 33 5.683 1.041 1.924 1.00 0.00 C ATOM 515 O TYR A 33 5.854 -0.174 2.057 1.00 0.00 O ATOM 516 CB TYR A 33 3.358 1.839 2.516 1.00 0.00 C ATOM 517 CG TYR A 33 3.786 2.904 3.514 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.731 4.258 3.196 1.00 0.00 C ATOM 519 CD2 TYR A 33 4.250 2.546 4.774 1.00 0.00 C ATOM 520 CE1 TYR A 33 4.122 5.221 4.107 1.00 0.00 C ATOM 521 CE2 TYR A 33 4.643 3.504 5.689 1.00 0.00 C ATOM 522 CZ TYR A 33 4.576 4.838 5.351 1.00 0.00 C ATOM 523 OH TYR A 33 4.966 5.793 6.261 1.00 0.00 O ATOM 0 H TYR A 33 2.962 0.112 0.788 1.00 0.00 H new ATOM 0 HA TYR A 33 4.551 2.518 0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.399 2.130 2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.196 0.904 3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.377 4.561 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.304 1.501 5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.072 6.268 3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.001 3.209 6.664 1.00 0.00 H new ATOM 0 HH TYR A 33 5.258 5.357 7.088 1.00 0.00 H new ATOM 533 N GLY A 34 6.610 1.954 2.234 1.00 0.00 N ATOM 534 CA GLY A 34 7.910 1.554 2.760 1.00 0.00 C ATOM 535 C GLY A 34 8.423 2.470 3.855 1.00 0.00 C ATOM 536 O GLY A 34 7.706 3.367 4.313 1.00 0.00 O ATOM 0 H GLY A 34 6.483 2.961 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.840 0.538 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.633 1.534 1.945 1.00 0.00 H new ATOM 540 N GLY A 35 9.675 2.233 4.269 1.00 0.00 N ATOM 541 CA GLY A 35 10.300 3.035 5.316 1.00 0.00 C ATOM 542 C GLY A 35 11.136 4.188 4.773 1.00 0.00 C ATOM 543 O GLY A 35 11.740 4.933 5.549 1.00 0.00 O ATOM 0 H GLY A 35 10.269 1.494 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.525 3.434 5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.933 2.392 5.927 1.00 0.00 H new ATOM 547 N CYS A 36 11.162 4.334 3.440 1.00 0.00 N ATOM 548 CA CYS A 36 11.917 5.404 2.778 1.00 0.00 C ATOM 549 C CYS A 36 11.127 6.711 2.678 1.00 0.00 C ATOM 550 O CYS A 36 11.704 7.791 2.835 1.00 0.00 O ATOM 551 CB CYS A 36 12.421 4.965 1.393 1.00 0.00 C ATOM 552 SG CYS A 36 12.180 3.215 0.978 1.00 0.00 S ATOM 0 H CYS A 36 10.664 3.719 2.797 1.00 0.00 H new ATOM 0 HA CYS A 36 12.782 5.602 3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 36 11.920 5.570 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.485 5.190 1.327 1.00 0.00 H new ATOM 557 N ARG A 37 9.816 6.615 2.429 1.00 0.00 N ATOM 558 CA ARG A 37 8.963 7.806 2.322 1.00 0.00 C ATOM 559 C ARG A 37 7.637 7.601 3.055 1.00 0.00 C ATOM 560 O ARG A 37 6.802 6.787 2.643 1.00 0.00 O ATOM 561 CB ARG A 37 8.715 8.183 0.849 1.00 0.00 C ATOM 562 CG ARG A 37 9.970 8.633 0.110 1.00 0.00 C ATOM 563 CD ARG A 37 9.674 8.984 -1.345 1.00 0.00 C ATOM 564 NE ARG A 37 10.876 9.407 -2.091 1.00 0.00 N ATOM 565 CZ ARG A 37 11.524 10.576 -1.923 1.00 0.00 C ATOM 566 NH1 ARG A 37 11.106 11.473 -1.031 1.00 0.00 N ATOM 567 NH2 ARG A 37 12.595 10.842 -2.656 1.00 0.00 N ATOM 0 H ARG A 37 9.324 5.731 2.298 1.00 0.00 H new ATOM 0 HA ARG A 37 9.491 8.632 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.288 7.325 0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.974 8.982 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.397 9.500 0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.718 7.841 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.232 8.119 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.933 9.783 -1.377 1.00 0.00 H new ATOM 0 HE ARG A 37 11.245 8.762 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.282 11.280 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.610 12.353 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.924 10.163 -3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.090 11.725 -2.534 1.00 0.00 H new ATOM 581 N ALA A 38 7.463 8.349 4.153 1.00 0.00 N ATOM 582 CA ALA A 38 6.252 8.277 4.974 1.00 0.00 C ATOM 583 C ALA A 38 5.241 9.338 4.548 1.00 0.00 C ATOM 584 O ALA A 38 5.625 10.446 4.162 1.00 0.00 O ATOM 585 CB ALA A 38 6.603 8.442 6.446 1.00 0.00 C ATOM 0 H ALA A 38 8.155 9.017 4.494 1.00 0.00 H new ATOM 0 HA ALA A 38 5.798 7.297 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.694 8.387 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.286 7.648 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.081 9.410 6.600 1.00 0.00 H new ATOM 591 N LYS A 39 3.950 8.984 4.611 1.00 0.00 N ATOM 592 CA LYS A 39 2.876 9.899 4.218 1.00 0.00 C ATOM 593 C LYS A 39 1.731 9.882 5.262 1.00 0.00 C ATOM 594 O LYS A 39 1.996 10.052 6.455 1.00 0.00 O ATOM 595 CB LYS A 39 2.400 9.537 2.790 1.00 0.00 C ATOM 596 CG LYS A 39 2.124 10.741 1.891 1.00 0.00 C ATOM 597 CD LYS A 39 0.822 11.460 2.241 1.00 0.00 C ATOM 598 CE LYS A 39 0.597 12.688 1.367 1.00 0.00 C ATOM 599 NZ LYS A 39 0.396 12.337 -0.070 1.00 0.00 N ATOM 0 H LYS A 39 3.627 8.071 4.930 1.00 0.00 H new ATOM 0 HA LYS A 39 3.245 10.924 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.156 8.911 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.492 8.939 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.953 11.444 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.083 10.411 0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.015 10.772 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.843 11.759 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.274 13.234 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.453 13.357 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.163 13.196 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.268 11.916 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.384 11.654 -0.155 1.00 0.00 H new ATOM 613 N ARG A 40 0.470 9.674 4.823 1.00 0.00 N ATOM 614 CA ARG A 40 -0.689 9.634 5.727 1.00 0.00 C ATOM 615 C ARG A 40 -1.731 8.617 5.280 1.00 0.00 C ATOM 616 O ARG A 40 -2.423 8.031 6.119 1.00 0.00 O ATOM 617 CB ARG A 40 -1.360 11.003 5.820 1.00 0.00 C ATOM 618 CG ARG A 40 -0.560 12.039 6.592 1.00 0.00 C ATOM 619 CD ARG A 40 -1.374 13.302 6.827 1.00 0.00 C ATOM 620 NE ARG A 40 -1.567 14.085 5.599 1.00 0.00 N ATOM 621 CZ ARG A 40 -2.245 15.239 5.527 1.00 0.00 C ATOM 622 NH1 ARG A 40 -2.811 15.774 6.607 1.00 0.00 N ATOM 623 NH2 ARG A 40 -2.355 15.862 4.362 1.00 0.00 N ATOM 0 H ARG A 40 0.234 9.531 3.841 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.303 9.339 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.539 11.376 4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.334 10.886 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.248 11.621 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.347 12.286 6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.347 13.032 7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.873 13.919 7.573 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.155 13.724 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.733 15.305 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.323 16.653 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.925 15.463 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.870 16.741 4.300 1.00 0.00 H new ATOM 637 N ASN A 41 -1.855 8.420 3.962 1.00 0.00 N ATOM 638 CA ASN A 41 -2.834 7.485 3.418 1.00 0.00 C ATOM 639 C ASN A 41 -2.248 6.076 3.289 1.00 0.00 C ATOM 640 O ASN A 41 -1.509 5.769 2.346 1.00 0.00 O ATOM 641 CB ASN A 41 -3.376 7.991 2.063 1.00 0.00 C ATOM 642 CG ASN A 41 -4.594 7.215 1.537 1.00 0.00 C ATOM 643 OD1 ASN A 41 -5.190 7.603 0.533 1.00 0.00 O ATOM 644 ND2 ASN A 41 -4.955 6.105 2.188 1.00 0.00 N ATOM 0 H ASN A 41 -1.290 8.896 3.259 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.668 7.428 4.117 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.646 9.042 2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.578 7.936 1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.745 5.553 1.855 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.440 5.810 3.018 1.00 0.00 H new ATOM 651 N ASN A 42 -2.623 5.229 4.247 1.00 0.00 N ATOM 652 CA ASN A 42 -2.194 3.835 4.275 1.00 0.00 C ATOM 653 C ASN A 42 -3.296 2.941 4.814 1.00 0.00 C ATOM 654 O ASN A 42 -3.714 3.081 5.971 1.00 0.00 O ATOM 655 CB ASN A 42 -0.962 3.632 5.135 1.00 0.00 C ATOM 656 CG ASN A 42 0.300 4.208 4.525 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.745 3.774 3.465 1.00 0.00 O ATOM 658 ND2 ASN A 42 0.886 5.193 5.197 1.00 0.00 N ATOM 0 H ASN A 42 -3.231 5.491 5.023 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.957 3.569 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.128 4.092 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.820 2.565 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.739 5.619 4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.482 5.523 6.074 1.00 0.00 H new ATOM 665 N PHE A 43 -3.773 2.030 3.968 1.00 0.00 N ATOM 666 CA PHE A 43 -4.839 1.112 4.353 1.00 0.00 C ATOM 667 C PHE A 43 -4.578 -0.303 3.830 1.00 0.00 C ATOM 668 O PHE A 43 -4.686 -0.558 2.631 1.00 0.00 O ATOM 669 CB PHE A 43 -6.166 1.631 3.814 1.00 0.00 C ATOM 670 CG PHE A 43 -6.711 2.832 4.538 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.287 4.112 4.212 1.00 0.00 C ATOM 672 CD2 PHE A 43 -7.646 2.678 5.548 1.00 0.00 C ATOM 673 CE1 PHE A 43 -6.786 5.214 4.879 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.149 3.777 6.216 1.00 0.00 C ATOM 675 CZ PHE A 43 -7.717 5.046 5.881 1.00 0.00 C ATOM 0 H PHE A 43 -3.437 1.909 3.012 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.873 1.060 5.441 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.041 1.884 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.902 0.829 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.558 4.249 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.985 1.688 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.447 6.205 4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.880 3.645 7.000 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.109 5.906 6.404 1.00 0.00 H new ATOM 685 N LYS A 44 -4.230 -1.226 4.739 1.00 0.00 N ATOM 686 CA LYS A 44 -3.943 -2.629 4.374 1.00 0.00 C ATOM 687 C LYS A 44 -5.162 -3.355 3.776 1.00 0.00 C ATOM 688 O LYS A 44 -5.009 -4.404 3.144 1.00 0.00 O ATOM 689 CB LYS A 44 -3.436 -3.407 5.601 1.00 0.00 C ATOM 690 CG LYS A 44 -2.068 -2.953 6.133 1.00 0.00 C ATOM 691 CD LYS A 44 -0.895 -3.397 5.248 1.00 0.00 C ATOM 692 CE LYS A 44 -0.511 -4.857 5.480 1.00 0.00 C ATOM 693 NZ LYS A 44 0.627 -5.276 4.616 1.00 0.00 N ATOM 0 H LYS A 44 -4.139 -1.029 5.736 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.172 -2.596 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.170 -3.314 6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.377 -4.465 5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.061 -1.866 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.927 -3.350 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.160 -3.256 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.032 -2.761 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.244 -5.000 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.372 -5.495 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.565 -6.297 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.588 -4.758 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.524 -5.066 5.098 1.00 0.00 H new ATOM 707 N SER A 45 -6.361 -2.788 3.978 1.00 0.00 N ATOM 708 CA SER A 45 -7.599 -3.375 3.460 1.00 0.00 C ATOM 709 C SER A 45 -8.444 -2.332 2.729 1.00 0.00 C ATOM 710 O SER A 45 -8.610 -1.203 3.209 1.00 0.00 O ATOM 711 CB SER A 45 -8.407 -4.002 4.601 1.00 0.00 C ATOM 712 OG SER A 45 -8.676 -3.056 5.624 1.00 0.00 O ATOM 0 H SER A 45 -6.496 -1.921 4.498 1.00 0.00 H new ATOM 0 HA SER A 45 -7.328 -4.152 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.346 -4.396 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.857 -4.845 5.018 1.00 0.00 H new ATOM 0 HG SER A 45 -9.443 -3.357 6.154 1.00 0.00 H new ATOM 718 N ALA A 46 -8.992 -2.731 1.566 1.00 0.00 N ATOM 719 CA ALA A 46 -9.843 -1.853 0.744 1.00 0.00 C ATOM 720 C ALA A 46 -11.094 -1.411 1.508 1.00 0.00 C ATOM 721 O ALA A 46 -11.478 -0.238 1.453 1.00 0.00 O ATOM 722 CB ALA A 46 -10.227 -2.556 -0.551 1.00 0.00 C ATOM 0 H ALA A 46 -8.859 -3.663 1.173 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.270 -0.957 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.856 -1.897 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.326 -2.805 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.775 -3.470 -0.320 1.00 0.00 H new ATOM 728 N GLU A 47 -11.717 -2.374 2.221 1.00 0.00 N ATOM 729 CA GLU A 47 -12.932 -2.129 3.023 1.00 0.00 C ATOM 730 C GLU A 47 -12.760 -0.887 3.915 1.00 0.00 C ATOM 731 O GLU A 47 -13.483 0.102 3.749 1.00 0.00 O ATOM 732 CB GLU A 47 -13.284 -3.365 3.877 1.00 0.00 C ATOM 733 CG GLU A 47 -13.705 -4.599 3.070 1.00 0.00 C ATOM 734 CD GLU A 47 -15.069 -4.472 2.387 1.00 0.00 C ATOM 735 OE1 GLU A 47 -15.726 -3.414 2.526 1.00 0.00 O ATOM 736 OE2 GLU A 47 -15.478 -5.439 1.712 1.00 0.00 O ATOM 0 H GLU A 47 -11.392 -3.340 2.256 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.756 -1.943 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.421 -3.625 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.092 -3.101 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.949 -4.797 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.724 -5.463 3.734 1.00 0.00 H new ATOM 743 N ASP A 48 -11.777 -0.935 4.836 1.00 0.00 N ATOM 744 CA ASP A 48 -11.482 0.193 5.736 1.00 0.00 C ATOM 745 C ASP A 48 -11.055 1.436 4.945 1.00 0.00 C ATOM 746 O ASP A 48 -11.433 2.557 5.296 1.00 0.00 O ATOM 747 CB ASP A 48 -10.384 -0.190 6.738 1.00 0.00 C ATOM 748 CG ASP A 48 -10.828 -1.264 7.717 1.00 0.00 C ATOM 749 OD1 ASP A 48 -11.794 -1.020 8.470 1.00 0.00 O ATOM 750 OD2 ASP A 48 -10.207 -2.348 7.729 1.00 0.00 O ATOM 0 H ASP A 48 -11.174 -1.746 4.975 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.396 0.429 6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.508 -0.542 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.079 0.697 7.293 1.00 0.00 H new ATOM 755 N CYS A 49 -10.274 1.213 3.864 1.00 0.00 N ATOM 756 CA CYS A 49 -9.796 2.306 2.994 1.00 0.00 C ATOM 757 C CYS A 49 -10.976 3.153 2.484 1.00 0.00 C ATOM 758 O CYS A 49 -11.051 4.354 2.762 1.00 0.00 O ATOM 759 CB CYS A 49 -8.970 1.756 1.813 1.00 0.00 C ATOM 760 SG CYS A 49 -8.362 3.035 0.669 1.00 0.00 S ATOM 0 H CYS A 49 -9.963 0.286 3.575 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.146 2.947 3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.118 1.202 2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.582 1.047 1.255 1.00 0.00 H new ATOM 765 N MET A 50 -11.903 2.508 1.759 1.00 0.00 N ATOM 766 CA MET A 50 -13.089 3.166 1.214 1.00 0.00 C ATOM 767 C MET A 50 -13.981 3.756 2.317 1.00 0.00 C ATOM 768 O MET A 50 -14.512 4.858 2.162 1.00 0.00 O ATOM 769 CB MET A 50 -13.887 2.160 0.383 1.00 0.00 C ATOM 770 CG MET A 50 -13.192 1.710 -0.895 1.00 0.00 C ATOM 771 SD MET A 50 -14.153 0.490 -1.813 1.00 0.00 S ATOM 772 CE MET A 50 -13.043 0.139 -3.173 1.00 0.00 C ATOM 0 H MET A 50 -11.846 1.514 1.537 1.00 0.00 H new ATOM 0 HA MET A 50 -12.756 3.994 0.588 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.095 1.284 0.997 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.848 2.603 0.123 1.00 0.00 H new ATOM 0 HG2 MET A 50 -13.010 2.577 -1.530 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.219 1.288 -0.646 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.618 -0.203 -4.033 1.00 0.00 H new ATOM 0 HE2 MET A 50 -12.496 1.043 -3.439 1.00 0.00 H new ATOM 0 HE3 MET A 50 -12.338 -0.637 -2.876 1.00 0.00 H new ATOM 782 N ARG A 51 -14.135 3.006 3.426 1.00 0.00 N ATOM 783 CA ARG A 51 -14.967 3.427 4.571 1.00 0.00 C ATOM 784 C ARG A 51 -14.428 4.675 5.289 1.00 0.00 C ATOM 785 O ARG A 51 -15.212 5.456 5.836 1.00 0.00 O ATOM 786 CB ARG A 51 -15.113 2.278 5.583 1.00 0.00 C ATOM 787 CG ARG A 51 -15.995 1.119 5.111 1.00 0.00 C ATOM 788 CD ARG A 51 -17.481 1.462 5.165 1.00 0.00 C ATOM 789 NE ARG A 51 -18.319 0.347 4.710 1.00 0.00 N ATOM 790 CZ ARG A 51 -19.658 0.372 4.652 1.00 0.00 C ATOM 791 NH1 ARG A 51 -20.344 1.454 5.018 1.00 0.00 N ATOM 792 NH2 ARG A 51 -20.316 -0.697 4.224 1.00 0.00 N ATOM 0 H ARG A 51 -13.690 2.097 3.553 1.00 0.00 H new ATOM 0 HA ARG A 51 -15.940 3.689 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.122 1.890 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.526 2.678 6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.723 0.851 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.804 0.244 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.755 1.728 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -17.674 2.337 4.545 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.849 -0.509 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -19.850 2.283 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -21.363 1.454 4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -19.803 -1.532 3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -21.335 -0.684 4.178 1.00 0.00 H new ATOM 806 N THR A 52 -13.097 4.859 5.286 1.00 0.00 N ATOM 807 CA THR A 52 -12.471 6.018 5.943 1.00 0.00 C ATOM 808 C THR A 52 -12.514 7.256 5.028 1.00 0.00 C ATOM 809 O THR A 52 -12.941 8.330 5.462 1.00 0.00 O ATOM 810 CB THR A 52 -11.024 5.684 6.363 1.00 0.00 C ATOM 811 OG1 THR A 52 -10.987 4.461 7.078 1.00 0.00 O ATOM 812 CG2 THR A 52 -10.372 6.732 7.257 1.00 0.00 C ATOM 0 H THR A 52 -12.437 4.223 4.838 1.00 0.00 H new ATOM 0 HA THR A 52 -13.039 6.252 6.843 1.00 0.00 H new ATOM 0 HB THR A 52 -10.470 5.637 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.781 3.728 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.358 6.419 7.505 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.339 7.687 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.952 6.841 8.173 1.00 0.00 H new ATOM 820 N CYS A 53 -12.072 7.096 3.770 1.00 0.00 N ATOM 821 CA CYS A 53 -12.061 8.193 2.806 1.00 0.00 C ATOM 822 C CYS A 53 -13.396 8.326 2.056 1.00 0.00 C ATOM 823 O CYS A 53 -14.030 9.384 2.121 1.00 0.00 O ATOM 824 CB CYS A 53 -10.885 8.045 1.830 1.00 0.00 C ATOM 825 SG CYS A 53 -9.755 6.655 2.184 1.00 0.00 S ATOM 0 H CYS A 53 -11.718 6.213 3.402 1.00 0.00 H new ATOM 0 HA CYS A 53 -11.927 9.117 3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.282 7.922 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.310 8.971 1.835 1.00 0.00 H new ATOM 830 N GLY A 54 -13.817 7.267 1.348 1.00 0.00 N ATOM 831 CA GLY A 54 -15.069 7.312 0.604 1.00 0.00 C ATOM 832 C GLY A 54 -15.043 6.429 -0.627 1.00 0.00 C ATOM 833 O GLY A 54 -14.476 6.811 -1.656 1.00 0.00 O ATOM 0 H GLY A 54 -13.312 6.384 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.886 7.000 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.274 8.340 0.306 1.00 0.00 H new ATOM 837 N GLY A 55 -15.658 5.247 -0.514 1.00 0.00 N ATOM 838 CA GLY A 55 -15.705 4.303 -1.624 1.00 0.00 C ATOM 839 C GLY A 55 -17.001 4.383 -2.410 1.00 0.00 C ATOM 840 O GLY A 55 -16.978 4.445 -3.643 1.00 0.00 O ATOM 0 H GLY A 55 -16.127 4.927 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.867 4.495 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.581 3.291 -1.240 1.00 0.00 H new ATOM 844 N ALA A 56 -18.129 4.381 -1.691 1.00 0.00 N ATOM 845 CA ALA A 56 -19.450 4.454 -2.313 1.00 0.00 C ATOM 846 C ALA A 56 -20.222 5.674 -1.823 1.00 0.00 C ATOM 847 O ALA A 56 -20.846 6.355 -2.663 1.00 0.00 O ATOM 848 CB ALA A 56 -20.235 3.181 -2.032 1.00 0.00 C ATOM 849 OXT ALA A 56 -20.196 5.937 -0.602 1.00 0.00 O ATOM 0 H ALA A 56 -18.150 4.329 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 56 -19.313 4.554 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -21.217 3.248 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -19.697 2.325 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -20.354 3.057 -0.956 1.00 0.00 H new TER 855 ALA A 56