USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=7 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 17 MET CE :methyl -145:sc= -0.242 (180deg=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 166:sc= -2.42! USER MOD Single : A 29 THR OG1 : rot -179:sc= 0.072 USER MOD Single : A 31 GLN : amide:sc= -4.18! K(o=-4.2!,f=-2.8) USER MOD Single : A 39 TYR OH : rot -80:sc= -4.03! USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= 0.0343 (180deg=-0.0305) USER MOD Single : A 70 GLN : amide:sc= -0.897 K(o=-0.9,f=-5.6!) USER MOD Single : A 71 ASN : amide:sc=-0.00289 K(o=-0.0029,f=-0.67) USER MOD Single : A 72 MET CE :methyl -109:sc= -0.206 (180deg=-2.5!) USER MOD Single : A 74 GLN : amide:sc= -6.35! C(o=-6.4!,f=-4.1!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -4.236 13.388 8.716 1.00 0.00 N ATOM 108 CA ASP A 11 -3.667 13.248 7.387 1.00 0.00 C ATOM 109 C ASP A 11 -2.721 14.420 7.117 1.00 0.00 C ATOM 110 O ASP A 11 -3.039 15.565 7.436 1.00 0.00 O ATOM 111 CB ASP A 11 -4.757 13.264 6.316 1.00 0.00 C ATOM 112 CG ASP A 11 -5.878 14.280 6.548 1.00 0.00 C ATOM 113 OD1 ASP A 11 -5.544 15.402 6.987 1.00 0.00 O ATOM 114 OD2 ASP A 11 -7.042 13.912 6.281 1.00 0.00 O ATOM 0 HA ASP A 11 -3.136 12.297 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.294 13.471 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.197 12.269 6.252 1.00 0.00 H new ATOM 119 N ASP A 12 -1.578 14.094 6.531 1.00 0.00 N ATOM 120 CA ASP A 12 -0.584 15.105 6.214 1.00 0.00 C ATOM 121 C ASP A 12 -0.424 15.198 4.695 1.00 0.00 C ATOM 122 O ASP A 12 -1.238 14.659 3.948 1.00 0.00 O ATOM 123 CB ASP A 12 0.778 14.747 6.812 1.00 0.00 C ATOM 124 CG ASP A 12 1.612 15.940 7.281 1.00 0.00 C ATOM 125 OD1 ASP A 12 1.013 17.026 7.435 1.00 0.00 O ATOM 126 OD2 ASP A 12 2.830 15.738 7.477 1.00 0.00 O ATOM 0 H ASP A 12 -1.318 13.143 6.267 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.923 16.053 6.632 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.622 14.077 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.350 14.193 6.068 1.00 0.00 H new ATOM 131 N GLU A 13 0.632 15.885 4.286 1.00 0.00 N ATOM 132 CA GLU A 13 0.910 16.055 2.869 1.00 0.00 C ATOM 133 C GLU A 13 1.585 14.803 2.306 1.00 0.00 C ATOM 134 O GLU A 13 1.550 14.562 1.100 1.00 0.00 O ATOM 135 CB GLU A 13 1.769 17.297 2.624 1.00 0.00 C ATOM 136 CG GLU A 13 0.952 18.576 2.819 1.00 0.00 C ATOM 137 CD GLU A 13 0.522 19.163 1.473 1.00 0.00 C ATOM 138 OE1 GLU A 13 1.419 19.664 0.761 1.00 0.00 O ATOM 139 OE2 GLU A 13 -0.693 19.097 1.186 1.00 0.00 O ATOM 0 H GLU A 13 1.305 16.330 4.910 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.037 16.199 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.619 17.296 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.173 17.270 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.071 18.360 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.543 19.309 3.367 1.00 0.00 H new ATOM 146 N VAL A 14 2.183 14.036 3.206 1.00 0.00 N ATOM 147 CA VAL A 14 2.864 12.814 2.814 1.00 0.00 C ATOM 148 C VAL A 14 1.828 11.723 2.537 1.00 0.00 C ATOM 149 O VAL A 14 1.957 10.970 1.573 1.00 0.00 O ATOM 150 CB VAL A 14 3.880 12.414 3.887 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.175 11.930 5.156 1.00 0.00 C ATOM 152 CG2 VAL A 14 4.847 11.353 3.358 1.00 0.00 C ATOM 0 H VAL A 14 2.210 14.237 4.206 1.00 0.00 H new ATOM 0 HA VAL A 14 3.426 12.969 1.893 1.00 0.00 H new ATOM 0 HB VAL A 14 4.462 13.299 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.919 11.652 5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.547 12.729 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.556 11.064 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.558 11.087 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.287 10.467 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.386 11.749 2.497 1.00 0.00 H new ATOM 162 N VAL A 15 0.823 11.673 3.399 1.00 0.00 N ATOM 163 CA VAL A 15 -0.235 10.688 3.259 1.00 0.00 C ATOM 164 C VAL A 15 -1.051 10.997 2.002 1.00 0.00 C ATOM 165 O VAL A 15 -1.143 10.168 1.098 1.00 0.00 O ATOM 166 CB VAL A 15 -1.087 10.649 4.529 1.00 0.00 C ATOM 167 CG1 VAL A 15 -2.323 9.770 4.334 1.00 0.00 C ATOM 168 CG2 VAL A 15 -0.262 10.176 5.728 1.00 0.00 C ATOM 0 H VAL A 15 0.719 12.299 4.197 1.00 0.00 H new ATOM 0 HA VAL A 15 0.187 9.691 3.136 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.427 11.664 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.911 9.760 5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.928 10.169 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.012 8.754 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.891 10.157 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.121 9.174 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.572 10.859 5.888 1.00 0.00 H new ATOM 178 N ALA A 16 -1.621 12.192 1.984 1.00 0.00 N ATOM 179 CA ALA A 16 -2.426 12.621 0.854 1.00 0.00 C ATOM 180 C ALA A 16 -1.720 12.231 -0.446 1.00 0.00 C ATOM 181 O ALA A 16 -2.370 11.879 -1.429 1.00 0.00 O ATOM 182 CB ALA A 16 -2.681 14.127 0.949 1.00 0.00 C ATOM 0 H ALA A 16 -1.541 12.878 2.735 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.397 12.125 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.285 14.448 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.210 14.349 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.729 14.659 0.939 1.00 0.00 H new ATOM 188 N MET A 17 -0.398 12.308 -0.410 1.00 0.00 N ATOM 189 CA MET A 17 0.404 11.967 -1.573 1.00 0.00 C ATOM 190 C MET A 17 0.352 10.463 -1.854 1.00 0.00 C ATOM 191 O MET A 17 -0.068 10.044 -2.932 1.00 0.00 O ATOM 192 CB MET A 17 1.854 12.392 -1.336 1.00 0.00 C ATOM 193 CG MET A 17 2.436 13.073 -2.576 1.00 0.00 C ATOM 194 SD MET A 17 4.174 13.399 -2.336 1.00 0.00 S ATOM 195 CE MET A 17 4.094 14.465 -0.907 1.00 0.00 C ATOM 0 H MET A 17 0.138 12.602 0.406 1.00 0.00 H new ATOM 0 HA MET A 17 -0.002 12.493 -2.437 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.903 13.073 -0.486 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.455 11.519 -1.080 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.294 12.437 -3.450 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.906 14.006 -2.771 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.877 15.220 -0.972 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.120 14.954 -0.872 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.236 13.873 -0.003 1.00 0.00 H new ATOM 205 N ILE A 18 0.783 9.694 -0.866 1.00 0.00 N ATOM 206 CA ILE A 18 0.791 8.246 -0.992 1.00 0.00 C ATOM 207 C ILE A 18 -0.633 7.756 -1.265 1.00 0.00 C ATOM 208 O ILE A 18 -0.860 6.988 -2.199 1.00 0.00 O ATOM 209 CB ILE A 18 1.438 7.604 0.236 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.857 8.138 0.451 1.00 0.00 C ATOM 211 CG2 ILE A 18 1.409 6.078 0.136 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.241 8.096 1.931 1.00 0.00 C ATOM 0 H ILE A 18 1.130 10.046 0.026 1.00 0.00 H new ATOM 0 HA ILE A 18 1.403 7.940 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 18 0.854 7.880 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.564 7.545 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.923 9.162 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.875 5.646 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.376 5.737 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.955 5.761 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.253 8.481 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.547 8.710 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.197 7.067 2.289 1.00 0.00 H new ATOM 224 N LYS A 19 -1.553 8.218 -0.432 1.00 0.00 N ATOM 225 CA LYS A 19 -2.949 7.835 -0.572 1.00 0.00 C ATOM 226 C LYS A 19 -3.323 7.823 -2.055 1.00 0.00 C ATOM 227 O LYS A 19 -3.928 6.867 -2.538 1.00 0.00 O ATOM 228 CB LYS A 19 -3.841 8.741 0.280 1.00 0.00 C ATOM 229 CG LYS A 19 -4.076 8.133 1.665 1.00 0.00 C ATOM 230 CD LYS A 19 -5.380 7.334 1.697 1.00 0.00 C ATOM 231 CE LYS A 19 -5.517 6.563 3.012 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.941 6.444 3.397 1.00 0.00 N ATOM 0 H LYS A 19 -1.360 8.854 0.342 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.107 6.825 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.376 9.722 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.797 8.892 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.241 7.484 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.112 8.925 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.227 8.009 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.405 6.638 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.079 5.571 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.963 7.074 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.016 5.918 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.348 7.393 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.461 5.937 2.653 1.00 0.00 H new ATOM 246 N GLU A 20 -2.948 8.894 -2.737 1.00 0.00 N ATOM 247 CA GLU A 20 -3.237 9.019 -4.156 1.00 0.00 C ATOM 248 C GLU A 20 -2.561 7.890 -4.936 1.00 0.00 C ATOM 249 O GLU A 20 -3.237 7.059 -5.542 1.00 0.00 O ATOM 250 CB GLU A 20 -2.806 10.387 -4.686 1.00 0.00 C ATOM 251 CG GLU A 20 -3.890 10.999 -5.573 1.00 0.00 C ATOM 252 CD GLU A 20 -3.273 11.807 -6.716 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.124 12.266 -6.532 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.963 11.949 -7.749 1.00 0.00 O ATOM 0 H GLU A 20 -2.446 9.685 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.315 8.937 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.596 11.055 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.881 10.286 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.520 10.209 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.534 11.643 -4.974 1.00 0.00 H new ATOM 261 N LEU A 21 -1.237 7.895 -4.895 1.00 0.00 N ATOM 262 CA LEU A 21 -0.463 6.882 -5.590 1.00 0.00 C ATOM 263 C LEU A 21 -1.063 5.504 -5.307 1.00 0.00 C ATOM 264 O LEU A 21 -0.882 4.571 -6.087 1.00 0.00 O ATOM 265 CB LEU A 21 1.018 6.995 -5.225 1.00 0.00 C ATOM 266 CG LEU A 21 1.999 7.018 -6.399 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.446 7.071 -5.905 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.757 5.836 -7.340 1.00 0.00 C ATOM 0 H LEU A 21 -0.681 8.585 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.514 7.037 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.159 7.905 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.277 6.157 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 21 1.822 7.928 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.122 7.086 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.594 7.971 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.654 6.193 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.468 5.877 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.889 4.902 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.741 5.886 -7.733 1.00 0.00 H new ATOM 280 N LEU A 22 -1.765 5.418 -4.185 1.00 0.00 N ATOM 281 CA LEU A 22 -2.392 4.169 -3.788 1.00 0.00 C ATOM 282 C LEU A 22 -3.789 4.086 -4.407 1.00 0.00 C ATOM 283 O LEU A 22 -4.197 3.029 -4.886 1.00 0.00 O ATOM 284 CB LEU A 22 -2.386 4.027 -2.265 1.00 0.00 C ATOM 285 CG LEU A 22 -1.074 3.543 -1.642 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.101 2.030 -1.414 1.00 0.00 C ATOM 287 CD2 LEU A 22 0.126 3.973 -2.488 1.00 0.00 C ATOM 0 H LEU A 22 -1.913 6.193 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.823 3.320 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.638 4.994 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.178 3.333 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.965 4.014 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.157 1.712 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.921 1.778 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.244 1.521 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.045 3.617 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.037 3.549 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.152 5.061 -2.556 1.00 0.00 H new ATOM 299 N ASP A 23 -4.483 5.214 -4.378 1.00 0.00 N ATOM 300 CA ASP A 23 -5.825 5.282 -4.931 1.00 0.00 C ATOM 301 C ASP A 23 -5.746 5.237 -6.457 1.00 0.00 C ATOM 302 O ASP A 23 -6.599 4.635 -7.109 1.00 0.00 O ATOM 303 CB ASP A 23 -6.519 6.585 -4.531 1.00 0.00 C ATOM 304 CG ASP A 23 -7.664 6.428 -3.528 1.00 0.00 C ATOM 305 OD1 ASP A 23 -7.637 5.418 -2.790 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.540 7.320 -3.521 1.00 0.00 O ATOM 0 H ASP A 23 -4.141 6.089 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.393 4.437 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.775 7.260 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.907 7.063 -5.430 1.00 0.00 H new ATOM 311 N THR A 24 -4.716 5.882 -6.985 1.00 0.00 N ATOM 312 CA THR A 24 -4.515 5.922 -8.423 1.00 0.00 C ATOM 313 C THR A 24 -4.940 4.597 -9.059 1.00 0.00 C ATOM 314 O THR A 24 -6.100 4.426 -9.429 1.00 0.00 O ATOM 315 CB THR A 24 -3.051 6.280 -8.685 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.331 5.546 -7.698 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.739 7.743 -8.364 1.00 0.00 C ATOM 0 H THR A 24 -4.012 6.381 -6.442 1.00 0.00 H new ATOM 0 HA THR A 24 -5.140 6.684 -8.889 1.00 0.00 H new ATOM 0 HB THR A 24 -2.810 6.079 -9.729 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.377 5.543 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.687 7.944 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.359 8.392 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.949 7.937 -7.312 1.00 0.00 H new ATOM 325 N ARG A 25 -3.977 3.692 -9.165 1.00 0.00 N ATOM 326 CA ARG A 25 -4.237 2.388 -9.750 1.00 0.00 C ATOM 327 C ARG A 25 -3.389 1.319 -9.059 1.00 0.00 C ATOM 328 O ARG A 25 -2.795 0.469 -9.721 1.00 0.00 O ATOM 329 CB ARG A 25 -3.929 2.384 -11.248 1.00 0.00 C ATOM 330 CG ARG A 25 -5.136 2.863 -12.058 1.00 0.00 C ATOM 331 CD ARG A 25 -5.175 2.192 -13.431 1.00 0.00 C ATOM 332 NE ARG A 25 -5.717 0.819 -13.309 1.00 0.00 N ATOM 333 CZ ARG A 25 -7.024 0.523 -13.328 1.00 0.00 C ATOM 334 NH1 ARG A 25 -7.931 1.500 -13.465 1.00 0.00 N ATOM 335 NH2 ARG A 25 -7.424 -0.751 -13.210 1.00 0.00 N ATOM 0 H ARG A 25 -3.016 3.837 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.295 2.166 -9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.073 3.029 -11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.651 1.378 -11.563 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.054 2.641 -11.515 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.091 3.945 -12.179 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.793 2.776 -14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.172 2.159 -13.858 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.054 0.051 -13.204 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.627 2.469 -13.555 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.926 1.274 -13.479 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.734 -1.495 -13.106 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.419 -0.977 -13.224 1.00 0.00 H new ATOM 349 N ILE A 26 -3.360 1.395 -7.737 1.00 0.00 N ATOM 350 CA ILE A 26 -2.594 0.444 -6.948 1.00 0.00 C ATOM 351 C ILE A 26 -3.544 -0.342 -6.041 1.00 0.00 C ATOM 352 O ILE A 26 -3.570 -1.571 -6.081 1.00 0.00 O ATOM 353 CB ILE A 26 -1.471 1.156 -6.192 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.561 1.921 -7.155 1.00 0.00 C ATOM 355 CG2 ILE A 26 -0.686 0.172 -5.323 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.722 2.373 -6.455 1.00 0.00 C ATOM 0 H ILE A 26 -3.855 2.101 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.101 -0.279 -7.597 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.921 1.889 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.311 1.287 -8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.090 2.789 -7.549 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.106 0.704 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.357 -0.289 -4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.247 -0.601 -5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.351 2.914 -7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.470 3.026 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.261 1.501 -6.084 1.00 0.00 H new ATOM 368 N ARG A 27 -4.300 0.399 -5.246 1.00 0.00 N ATOM 369 CA ARG A 27 -5.249 -0.213 -4.332 1.00 0.00 C ATOM 370 C ARG A 27 -6.416 -0.826 -5.108 1.00 0.00 C ATOM 371 O ARG A 27 -6.779 -1.979 -4.881 1.00 0.00 O ATOM 372 CB ARG A 27 -5.792 0.812 -3.334 1.00 0.00 C ATOM 373 CG ARG A 27 -7.289 0.603 -3.092 1.00 0.00 C ATOM 374 CD ARG A 27 -7.820 1.592 -2.054 1.00 0.00 C ATOM 375 NE ARG A 27 -8.565 0.868 -0.999 1.00 0.00 N ATOM 376 CZ ARG A 27 -9.391 1.457 -0.124 1.00 0.00 C ATOM 377 NH1 ARG A 27 -9.585 2.783 -0.173 1.00 0.00 N ATOM 378 NH2 ARG A 27 -10.026 0.721 0.799 1.00 0.00 N ATOM 0 H ARG A 27 -4.275 1.418 -5.215 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.723 -0.995 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.252 0.728 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.618 1.820 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.833 0.726 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.467 -0.417 -2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.992 2.146 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.471 2.322 -2.535 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.442 -0.142 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.104 3.343 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.214 3.231 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.880 -0.288 0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.655 1.170 1.465 1.00 0.00 H new ATOM 392 N PRO A 28 -6.985 -0.007 -6.033 1.00 0.00 N ATOM 393 CA PRO A 28 -8.103 -0.457 -6.844 1.00 0.00 C ATOM 394 C PRO A 28 -7.634 -1.421 -7.937 1.00 0.00 C ATOM 395 O PRO A 28 -8.451 -1.996 -8.654 1.00 0.00 O ATOM 396 CB PRO A 28 -8.722 0.815 -7.401 1.00 0.00 C ATOM 397 CG PRO A 28 -7.659 1.892 -7.261 1.00 0.00 C ATOM 398 CD PRO A 28 -6.581 1.365 -6.329 1.00 0.00 C ATOM 0 HA PRO A 28 -8.837 -1.024 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.011 0.685 -8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.624 1.083 -6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.235 2.138 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.094 2.808 -6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.599 1.395 -6.802 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.516 1.963 -5.420 1.00 0.00 H new ATOM 406 N THR A 29 -6.321 -1.569 -8.027 1.00 0.00 N ATOM 407 CA THR A 29 -5.734 -2.452 -9.020 1.00 0.00 C ATOM 408 C THR A 29 -5.637 -3.878 -8.473 1.00 0.00 C ATOM 409 O THR A 29 -6.179 -4.812 -9.061 1.00 0.00 O ATOM 410 CB THR A 29 -4.383 -1.867 -9.436 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.721 -0.817 -10.337 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.560 -2.839 -10.285 1.00 0.00 C ATOM 0 H THR A 29 -5.647 -1.092 -7.428 1.00 0.00 H new ATOM 0 HA THR A 29 -6.361 -2.520 -9.909 1.00 0.00 H new ATOM 0 HB THR A 29 -3.816 -1.594 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.901 -0.398 -10.673 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.611 -2.374 -10.553 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.370 -3.749 -9.716 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.112 -3.087 -11.192 1.00 0.00 H new ATOM 420 N VAL A 30 -4.941 -4.001 -7.352 1.00 0.00 N ATOM 421 CA VAL A 30 -4.764 -5.296 -6.718 1.00 0.00 C ATOM 422 C VAL A 30 -6.119 -6.003 -6.627 1.00 0.00 C ATOM 423 O VAL A 30 -6.211 -7.208 -6.856 1.00 0.00 O ATOM 424 CB VAL A 30 -4.087 -5.125 -5.357 1.00 0.00 C ATOM 425 CG1 VAL A 30 -3.905 -6.477 -4.662 1.00 0.00 C ATOM 426 CG2 VAL A 30 -2.749 -4.397 -5.498 1.00 0.00 C ATOM 0 H VAL A 30 -4.493 -3.224 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.106 -5.927 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.738 -4.512 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.422 -6.328 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.879 -6.943 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.285 -7.124 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.289 -4.288 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.088 -4.972 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.915 -3.411 -5.932 1.00 0.00 H new ATOM 436 N GLN A 31 -7.136 -5.223 -6.292 1.00 0.00 N ATOM 437 CA GLN A 31 -8.481 -5.758 -6.168 1.00 0.00 C ATOM 438 C GLN A 31 -8.809 -6.653 -7.365 1.00 0.00 C ATOM 439 O GLN A 31 -9.180 -7.814 -7.194 1.00 0.00 O ATOM 440 CB GLN A 31 -9.509 -4.634 -6.027 1.00 0.00 C ATOM 441 CG GLN A 31 -9.438 -3.997 -4.637 1.00 0.00 C ATOM 442 CD GLN A 31 -9.952 -2.556 -4.667 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.024 -2.263 -5.171 1.00 0.00 O ATOM 444 NE2 GLN A 31 -9.132 -1.677 -4.101 1.00 0.00 N ATOM 0 H GLN A 31 -7.055 -4.224 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.527 -6.363 -5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.330 -3.875 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.510 -5.028 -6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.030 -4.583 -3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.409 -4.012 -4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.249 -1.990 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.386 -0.690 -4.070 1.00 0.00 H new ATOM 453 N GLU A 32 -8.659 -6.080 -8.549 1.00 0.00 N ATOM 454 CA GLU A 32 -8.934 -6.813 -9.774 1.00 0.00 C ATOM 455 C GLU A 32 -8.365 -8.230 -9.686 1.00 0.00 C ATOM 456 O GLU A 32 -8.938 -9.168 -10.238 1.00 0.00 O ATOM 457 CB GLU A 32 -8.375 -6.073 -10.992 1.00 0.00 C ATOM 458 CG GLU A 32 -9.450 -5.202 -11.646 1.00 0.00 C ATOM 459 CD GLU A 32 -8.877 -3.847 -12.066 1.00 0.00 C ATOM 460 OE1 GLU A 32 -8.778 -2.974 -11.177 1.00 0.00 O ATOM 461 OE2 GLU A 32 -8.552 -3.715 -13.266 1.00 0.00 O ATOM 0 H GLU A 32 -8.351 -5.118 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.015 -6.884 -9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.533 -5.451 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.995 -6.793 -11.717 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.858 -5.714 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.275 -5.052 -10.950 1.00 0.00 H new ATOM 468 N ASP A 33 -7.246 -8.341 -8.985 1.00 0.00 N ATOM 469 CA ASP A 33 -6.594 -9.629 -8.817 1.00 0.00 C ATOM 470 C ASP A 33 -7.435 -10.503 -7.886 1.00 0.00 C ATOM 471 O ASP A 33 -7.951 -11.540 -8.300 1.00 0.00 O ATOM 472 CB ASP A 33 -5.209 -9.466 -8.189 1.00 0.00 C ATOM 473 CG ASP A 33 -4.244 -10.628 -8.439 1.00 0.00 C ATOM 474 OD1 ASP A 33 -4.408 -11.285 -9.491 1.00 0.00 O ATOM 475 OD2 ASP A 33 -3.366 -10.833 -7.574 1.00 0.00 O ATOM 0 H ASP A 33 -6.775 -7.561 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.493 -10.087 -9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.758 -8.550 -8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.327 -9.337 -7.113 1.00 0.00 H new ATOM 480 N GLY A 34 -7.548 -10.052 -6.644 1.00 0.00 N ATOM 481 CA GLY A 34 -8.317 -10.782 -5.651 1.00 0.00 C ATOM 482 C GLY A 34 -7.789 -10.511 -4.240 1.00 0.00 C ATOM 483 O GLY A 34 -7.242 -11.405 -3.596 1.00 0.00 O ATOM 0 H GLY A 34 -7.120 -9.191 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.366 -10.492 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.269 -11.850 -5.862 1.00 0.00 H new ATOM 487 N GLY A 35 -7.971 -9.274 -3.803 1.00 0.00 N ATOM 488 CA GLY A 35 -7.519 -8.874 -2.481 1.00 0.00 C ATOM 489 C GLY A 35 -7.924 -7.430 -2.176 1.00 0.00 C ATOM 490 O GLY A 35 -8.278 -6.677 -3.082 1.00 0.00 O ATOM 0 H GLY A 35 -8.425 -8.535 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.944 -9.541 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.435 -8.972 -2.418 1.00 0.00 H new ATOM 494 N ASP A 36 -7.856 -7.088 -0.898 1.00 0.00 N ATOM 495 CA ASP A 36 -8.212 -5.748 -0.463 1.00 0.00 C ATOM 496 C ASP A 36 -6.979 -5.067 0.134 1.00 0.00 C ATOM 497 O ASP A 36 -6.548 -5.409 1.235 1.00 0.00 O ATOM 498 CB ASP A 36 -9.297 -5.788 0.615 1.00 0.00 C ATOM 499 CG ASP A 36 -8.873 -6.430 1.936 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.691 -7.666 1.935 1.00 0.00 O ATOM 501 OD2 ASP A 36 -8.740 -5.669 2.920 1.00 0.00 O ATOM 0 H ASP A 36 -7.560 -7.715 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.584 -5.200 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.628 -4.769 0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.157 -6.332 0.224 1.00 0.00 H new ATOM 506 N VAL A 37 -6.445 -4.116 -0.618 1.00 0.00 N ATOM 507 CA VAL A 37 -5.270 -3.383 -0.177 1.00 0.00 C ATOM 508 C VAL A 37 -5.693 -1.999 0.319 1.00 0.00 C ATOM 509 O VAL A 37 -6.330 -1.242 -0.412 1.00 0.00 O ATOM 510 CB VAL A 37 -4.237 -3.324 -1.304 1.00 0.00 C ATOM 511 CG1 VAL A 37 -3.386 -4.595 -1.334 1.00 0.00 C ATOM 512 CG2 VAL A 37 -4.913 -3.084 -2.656 1.00 0.00 C ATOM 0 H VAL A 37 -6.804 -3.836 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.792 -3.895 0.658 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.574 -2.481 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.660 -4.528 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.862 -4.704 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.029 -5.460 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.156 -3.046 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.610 -3.896 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.455 -2.139 -2.629 1.00 0.00 H new ATOM 522 N ILE A 38 -5.323 -1.711 1.558 1.00 0.00 N ATOM 523 CA ILE A 38 -5.656 -0.431 2.160 1.00 0.00 C ATOM 524 C ILE A 38 -4.464 0.068 2.979 1.00 0.00 C ATOM 525 O ILE A 38 -4.003 -0.615 3.891 1.00 0.00 O ATOM 526 CB ILE A 38 -6.952 -0.540 2.965 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.906 -1.556 2.334 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.608 0.833 3.136 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.575 -2.977 2.792 1.00 0.00 C ATOM 0 H ILE A 38 -4.796 -2.342 2.162 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.848 0.315 1.389 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.705 -0.906 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.933 -1.313 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.840 -1.496 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.528 0.728 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.925 1.500 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.839 1.250 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.268 -3.679 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.555 -3.226 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.665 -3.040 3.876 1.00 0.00 H new ATOM 541 N TYR A 39 -3.999 1.256 2.623 1.00 0.00 N ATOM 542 CA TYR A 39 -2.868 1.856 3.313 1.00 0.00 C ATOM 543 C TYR A 39 -3.297 2.442 4.659 1.00 0.00 C ATOM 544 O TYR A 39 -3.913 3.505 4.709 1.00 0.00 O ATOM 545 CB TYR A 39 -2.376 2.988 2.411 1.00 0.00 C ATOM 546 CG TYR A 39 -1.720 4.145 3.167 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.961 3.893 4.291 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.889 5.442 2.725 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.344 4.983 5.003 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.273 6.531 3.437 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.530 6.248 4.540 1.00 0.00 C ATOM 552 OH TYR A 39 0.052 7.277 5.213 1.00 0.00 O ATOM 0 H TYR A 39 -4.384 1.820 1.866 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.096 1.111 3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.661 2.583 1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.218 3.374 1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.829 2.879 4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.483 5.640 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.253 4.800 5.884 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.398 7.550 3.102 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.489 7.502 5.998 1.00 0.00 H new ATOM 562 N ARG A 40 -2.956 1.723 5.718 1.00 0.00 N ATOM 563 CA ARG A 40 -3.297 2.159 7.062 1.00 0.00 C ATOM 564 C ARG A 40 -2.049 2.177 7.947 1.00 0.00 C ATOM 565 O ARG A 40 -1.702 1.168 8.560 1.00 0.00 O ATOM 566 CB ARG A 40 -4.345 1.238 7.690 1.00 0.00 C ATOM 567 CG ARG A 40 -5.323 0.720 6.633 1.00 0.00 C ATOM 568 CD ARG A 40 -6.331 1.801 6.241 1.00 0.00 C ATOM 569 NE ARG A 40 -7.683 1.426 6.710 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.757 2.223 6.621 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.643 3.443 6.081 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.945 1.799 7.074 1.00 0.00 N ATOM 0 H ARG A 40 -2.447 0.840 5.673 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.710 3.165 6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.851 0.397 8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.892 1.777 8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.772 0.395 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.851 -0.152 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.039 2.757 6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.335 1.930 5.159 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.806 0.503 7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.739 3.766 5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.461 4.049 6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.032 0.870 7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.762 2.405 7.006 1.00 0.00 H new ATOM 586 N GLY A 41 -1.407 3.336 7.986 1.00 0.00 N ATOM 587 CA GLY A 41 -0.205 3.499 8.786 1.00 0.00 C ATOM 588 C GLY A 41 1.015 3.748 7.898 1.00 0.00 C ATOM 589 O GLY A 41 1.197 3.074 6.884 1.00 0.00 O ATOM 0 H GLY A 41 -1.697 4.171 7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.333 4.333 9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.043 2.607 9.391 1.00 0.00 H new ATOM 593 N PHE A 42 1.820 4.717 8.309 1.00 0.00 N ATOM 594 CA PHE A 42 3.018 5.062 7.564 1.00 0.00 C ATOM 595 C PHE A 42 4.170 5.409 8.508 1.00 0.00 C ATOM 596 O PHE A 42 4.156 6.457 9.152 1.00 0.00 O ATOM 597 CB PHE A 42 2.679 6.292 6.719 1.00 0.00 C ATOM 598 CG PHE A 42 3.778 6.691 5.732 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.141 5.838 4.736 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.393 7.898 5.851 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.162 6.209 3.822 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.413 8.269 4.936 1.00 0.00 C ATOM 603 CZ PHE A 42 5.776 7.416 3.941 1.00 0.00 C ATOM 0 H PHE A 42 1.665 5.274 9.149 1.00 0.00 H new ATOM 0 HA PHE A 42 3.330 4.218 6.949 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.761 6.098 6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.479 7.133 7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.653 4.879 4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.105 8.575 6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.451 5.532 3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.900 9.228 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.552 7.698 3.245 1.00 0.00 H new ATOM 613 N GLU A 43 5.141 4.510 8.560 1.00 0.00 N ATOM 614 CA GLU A 43 6.299 4.708 9.415 1.00 0.00 C ATOM 615 C GLU A 43 7.576 4.286 8.686 1.00 0.00 C ATOM 616 O GLU A 43 7.567 3.328 7.914 1.00 0.00 O ATOM 617 CB GLU A 43 6.144 3.947 10.735 1.00 0.00 C ATOM 618 CG GLU A 43 5.043 4.565 11.598 1.00 0.00 C ATOM 619 CD GLU A 43 4.627 3.613 12.721 1.00 0.00 C ATOM 620 OE1 GLU A 43 3.706 2.807 12.469 1.00 0.00 O ATOM 621 OE2 GLU A 43 5.240 3.712 13.805 1.00 0.00 O ATOM 0 H GLU A 43 5.150 3.642 8.024 1.00 0.00 H new ATOM 0 HA GLU A 43 6.373 5.769 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.908 2.903 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.088 3.960 11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.395 5.504 12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.179 4.801 10.977 1.00 0.00 H new ATOM 628 N ASP A 44 8.645 5.021 8.956 1.00 0.00 N ATOM 629 CA ASP A 44 9.927 4.734 8.336 1.00 0.00 C ATOM 630 C ASP A 44 9.720 4.485 6.840 1.00 0.00 C ATOM 631 O ASP A 44 10.498 3.769 6.212 1.00 0.00 O ATOM 632 CB ASP A 44 10.564 3.481 8.939 1.00 0.00 C ATOM 633 CG ASP A 44 10.685 3.488 10.464 1.00 0.00 C ATOM 634 OD1 ASP A 44 11.576 4.212 10.960 1.00 0.00 O ATOM 635 OD2 ASP A 44 9.884 2.770 11.101 1.00 0.00 O ATOM 0 H ASP A 44 8.649 5.815 9.596 1.00 0.00 H new ATOM 0 HA ASP A 44 10.582 5.588 8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.976 2.613 8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.559 3.355 8.511 1.00 0.00 H new ATOM 640 N GLY A 45 8.666 5.090 6.312 1.00 0.00 N ATOM 641 CA GLY A 45 8.346 4.943 4.902 1.00 0.00 C ATOM 642 C GLY A 45 7.465 3.715 4.664 1.00 0.00 C ATOM 643 O GLY A 45 6.517 3.768 3.883 1.00 0.00 O ATOM 0 H GLY A 45 8.022 5.683 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.833 5.837 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.266 4.852 4.324 1.00 0.00 H new ATOM 647 N ILE A 46 7.810 2.637 5.355 1.00 0.00 N ATOM 648 CA ILE A 46 7.062 1.397 5.229 1.00 0.00 C ATOM 649 C ILE A 46 5.564 1.704 5.269 1.00 0.00 C ATOM 650 O ILE A 46 5.001 1.926 6.340 1.00 0.00 O ATOM 651 CB ILE A 46 7.512 0.390 6.288 1.00 0.00 C ATOM 652 CG1 ILE A 46 8.985 0.021 6.103 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.609 -0.844 6.290 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.156 -1.011 4.986 1.00 0.00 C ATOM 0 H ILE A 46 8.597 2.597 6.003 1.00 0.00 H new ATOM 0 HA ILE A 46 7.265 0.925 4.268 1.00 0.00 H new ATOM 0 HB ILE A 46 7.418 0.860 7.267 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.561 0.916 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.384 -0.378 7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.951 -1.544 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.584 -0.544 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.648 -1.325 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.212 -1.256 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.599 -1.914 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.779 -0.600 4.050 1.00 0.00 H new ATOM 666 N VAL A 47 4.960 1.707 4.089 1.00 0.00 N ATOM 667 CA VAL A 47 3.538 1.982 3.976 1.00 0.00 C ATOM 668 C VAL A 47 2.747 0.775 4.483 1.00 0.00 C ATOM 669 O VAL A 47 2.676 -0.252 3.810 1.00 0.00 O ATOM 670 CB VAL A 47 3.191 2.363 2.536 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.679 2.504 2.355 1.00 0.00 C ATOM 672 CG2 VAL A 47 3.916 3.645 2.117 1.00 0.00 C ATOM 0 H VAL A 47 5.430 1.523 3.203 1.00 0.00 H new ATOM 0 HA VAL A 47 3.264 2.834 4.598 1.00 0.00 H new ATOM 0 HB VAL A 47 3.532 1.558 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.460 2.775 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.194 1.557 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.304 3.280 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.652 3.893 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.620 4.462 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.993 3.494 2.188 1.00 0.00 H new ATOM 682 N ARG A 48 2.173 0.938 5.666 1.00 0.00 N ATOM 683 CA ARG A 48 1.389 -0.126 6.270 1.00 0.00 C ATOM 684 C ARG A 48 0.086 -0.331 5.497 1.00 0.00 C ATOM 685 O ARG A 48 -0.812 0.508 5.551 1.00 0.00 O ATOM 686 CB ARG A 48 1.063 0.193 7.731 1.00 0.00 C ATOM 687 CG ARG A 48 2.339 0.311 8.565 1.00 0.00 C ATOM 688 CD ARG A 48 2.038 0.142 10.055 1.00 0.00 C ATOM 689 NE ARG A 48 2.849 -0.964 10.613 1.00 0.00 N ATOM 690 CZ ARG A 48 2.748 -1.410 11.872 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.869 -0.846 12.714 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.524 -2.418 12.291 1.00 0.00 N ATOM 0 H ARG A 48 2.235 1.791 6.222 1.00 0.00 H new ATOM 0 HA ARG A 48 1.984 -1.039 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.501 1.125 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.426 -0.589 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.057 -0.446 8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.802 1.282 8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.257 1.068 10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.978 -0.065 10.199 1.00 0.00 H new ATOM 0 HE ARG A 48 3.528 -1.415 10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.278 -0.078 12.395 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.792 -1.185 13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.193 -2.847 11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.446 -2.757 13.250 1.00 0.00 H new ATOM 706 N LEU A 49 0.023 -1.451 4.792 1.00 0.00 N ATOM 707 CA LEU A 49 -1.156 -1.778 4.007 1.00 0.00 C ATOM 708 C LEU A 49 -1.882 -2.959 4.654 1.00 0.00 C ATOM 709 O LEU A 49 -1.279 -3.732 5.397 1.00 0.00 O ATOM 710 CB LEU A 49 -0.776 -2.015 2.545 1.00 0.00 C ATOM 711 CG LEU A 49 -0.970 -0.826 1.600 1.00 0.00 C ATOM 712 CD1 LEU A 49 0.176 0.177 1.739 1.00 0.00 C ATOM 713 CD2 LEU A 49 -1.149 -1.297 0.156 1.00 0.00 C ATOM 0 H LEU A 49 0.770 -2.144 4.748 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.854 -0.941 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.271 -2.317 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.364 -2.852 2.169 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.886 -0.309 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.014 1.012 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.213 0.547 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.119 -0.312 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.285 -0.433 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.265 -1.852 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.025 -1.942 0.090 1.00 0.00 H new ATOM 725 N LYS A 50 -3.166 -3.062 4.346 1.00 0.00 N ATOM 726 CA LYS A 50 -3.982 -4.136 4.887 1.00 0.00 C ATOM 727 C LYS A 50 -4.432 -5.053 3.748 1.00 0.00 C ATOM 728 O LYS A 50 -5.609 -5.075 3.393 1.00 0.00 O ATOM 729 CB LYS A 50 -5.138 -3.568 5.712 1.00 0.00 C ATOM 730 CG LYS A 50 -5.987 -4.690 6.312 1.00 0.00 C ATOM 731 CD LYS A 50 -7.028 -4.131 7.285 1.00 0.00 C ATOM 732 CE LYS A 50 -8.169 -3.444 6.530 1.00 0.00 C ATOM 733 NZ LYS A 50 -9.098 -4.450 5.968 1.00 0.00 N ATOM 0 H LYS A 50 -3.662 -2.419 3.728 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.399 -4.746 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.745 -2.938 6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.761 -2.933 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.488 -5.238 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.343 -5.400 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.427 -4.938 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.554 -3.420 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.709 -2.778 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.763 -2.827 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.060 -4.056 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.796 -4.701 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.091 -5.301 6.566 1.00 0.00 H new ATOM 747 N LEU A 51 -3.471 -5.787 3.208 1.00 0.00 N ATOM 748 CA LEU A 51 -3.754 -6.703 2.115 1.00 0.00 C ATOM 749 C LEU A 51 -4.266 -8.027 2.686 1.00 0.00 C ATOM 750 O LEU A 51 -3.814 -8.470 3.741 1.00 0.00 O ATOM 751 CB LEU A 51 -2.528 -6.856 1.213 1.00 0.00 C ATOM 752 CG LEU A 51 -2.460 -8.142 0.386 1.00 0.00 C ATOM 753 CD1 LEU A 51 -3.740 -8.337 -0.429 1.00 0.00 C ATOM 754 CD2 LEU A 51 -1.210 -8.161 -0.496 1.00 0.00 C ATOM 0 H LEU A 51 -2.496 -5.767 3.506 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.542 -6.303 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.495 -6.007 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.635 -6.800 1.835 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.383 -8.986 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.666 -9.258 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.594 -8.399 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.873 -7.493 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.186 -9.085 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.231 -7.309 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.321 -8.102 0.132 1.00 0.00 H new ATOM 988 N GLY A 68 6.819 -4.364 -8.127 1.00 0.00 N ATOM 989 CA GLY A 68 6.586 -3.335 -9.126 1.00 0.00 C ATOM 990 C GLY A 68 6.078 -2.046 -8.476 1.00 0.00 C ATOM 991 O GLY A 68 6.462 -0.949 -8.880 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.510 -3.134 -9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.859 -3.690 -9.856 1.00 0.00 H new ATOM 995 N ILE A 69 5.223 -2.221 -7.478 1.00 0.00 N ATOM 996 CA ILE A 69 4.658 -1.086 -6.769 1.00 0.00 C ATOM 997 C ILE A 69 5.648 -0.614 -5.701 1.00 0.00 C ATOM 998 O ILE A 69 5.824 0.587 -5.502 1.00 0.00 O ATOM 999 CB ILE A 69 3.276 -1.434 -6.215 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.253 -1.575 -7.343 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.834 -0.414 -5.162 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.113 -2.513 -6.937 1.00 0.00 C ATOM 0 H ILE A 69 4.908 -3.132 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 69 4.501 -0.250 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 69 3.341 -2.402 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.849 -0.595 -7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.743 -1.959 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.848 -0.685 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.549 -0.408 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.790 0.578 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.400 -2.595 -7.757 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.517 -3.499 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.609 -2.114 -6.057 1.00 0.00 H new ATOM 1014 N GLN A 70 6.268 -1.583 -5.044 1.00 0.00 N ATOM 1015 CA GLN A 70 7.235 -1.282 -4.003 1.00 0.00 C ATOM 1016 C GLN A 70 8.243 -0.244 -4.499 1.00 0.00 C ATOM 1017 O GLN A 70 8.675 0.620 -3.738 1.00 0.00 O ATOM 1018 CB GLN A 70 7.943 -2.552 -3.528 1.00 0.00 C ATOM 1019 CG GLN A 70 6.983 -3.461 -2.759 1.00 0.00 C ATOM 1020 CD GLN A 70 7.638 -3.997 -1.483 1.00 0.00 C ATOM 1021 OE1 GLN A 70 7.907 -3.271 -0.541 1.00 0.00 O ATOM 1022 NE2 GLN A 70 7.877 -5.305 -1.508 1.00 0.00 N ATOM 0 H GLN A 70 6.119 -2.578 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 70 6.702 -0.863 -3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.349 -3.089 -4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.786 -2.286 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.079 -2.908 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.679 -4.294 -3.393 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.626 -5.854 -2.330 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.311 -5.760 -0.705 1.00 0.00 H new ATOM 1031 N ASN A 71 8.590 -0.364 -5.772 1.00 0.00 N ATOM 1032 CA ASN A 71 9.540 0.552 -6.379 1.00 0.00 C ATOM 1033 C ASN A 71 8.815 1.836 -6.786 1.00 0.00 C ATOM 1034 O ASN A 71 9.126 2.915 -6.284 1.00 0.00 O ATOM 1035 CB ASN A 71 10.166 -0.056 -7.636 1.00 0.00 C ATOM 1036 CG ASN A 71 11.121 -1.196 -7.276 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.854 -1.142 -6.302 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.072 -2.227 -8.115 1.00 0.00 N ATOM 0 H ASN A 71 8.230 -1.082 -6.400 1.00 0.00 H new ATOM 0 HA ASN A 71 10.323 0.757 -5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.381 -0.429 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.705 0.714 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.672 -3.038 -7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.435 -2.207 -8.911 1.00 0.00 H new ATOM 1045 N MET A 72 7.860 1.678 -7.690 1.00 0.00 N ATOM 1046 CA MET A 72 7.088 2.811 -8.170 1.00 0.00 C ATOM 1047 C MET A 72 6.759 3.773 -7.028 1.00 0.00 C ATOM 1048 O MET A 72 6.827 4.989 -7.196 1.00 0.00 O ATOM 1049 CB MET A 72 5.790 2.310 -8.807 1.00 0.00 C ATOM 1050 CG MET A 72 4.954 3.478 -9.336 1.00 0.00 C ATOM 1051 SD MET A 72 3.736 2.880 -10.496 1.00 0.00 S ATOM 1052 CE MET A 72 2.746 1.866 -9.411 1.00 0.00 C ATOM 0 H MET A 72 7.603 0.782 -8.103 1.00 0.00 H new ATOM 0 HA MET A 72 7.683 3.346 -8.910 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.021 1.625 -9.622 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.213 1.748 -8.072 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.461 3.987 -8.508 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.601 4.209 -9.820 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.910 0.814 -9.645 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.030 2.056 -8.376 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.692 2.108 -9.548 1.00 0.00 H new ATOM 1062 N LEU A 73 6.409 3.192 -5.889 1.00 0.00 N ATOM 1063 CA LEU A 73 6.069 3.983 -4.719 1.00 0.00 C ATOM 1064 C LEU A 73 7.282 4.816 -4.302 1.00 0.00 C ATOM 1065 O LEU A 73 7.216 6.044 -4.268 1.00 0.00 O ATOM 1066 CB LEU A 73 5.527 3.086 -3.605 1.00 0.00 C ATOM 1067 CG LEU A 73 4.012 3.117 -3.396 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.597 2.197 -2.246 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.516 4.550 -3.189 1.00 0.00 C ATOM 0 H LEU A 73 6.354 2.183 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 73 5.266 4.683 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.824 2.059 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.009 3.371 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 73 3.536 2.738 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.515 2.238 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.897 1.174 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.083 2.523 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.436 4.544 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.999 4.979 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.760 5.150 -4.066 1.00 0.00 H new ATOM 1081 N GLN A 74 8.364 4.115 -3.994 1.00 0.00 N ATOM 1082 CA GLN A 74 9.591 4.775 -3.580 1.00 0.00 C ATOM 1083 C GLN A 74 10.112 5.678 -4.700 1.00 0.00 C ATOM 1084 O GLN A 74 10.779 6.677 -4.436 1.00 0.00 O ATOM 1085 CB GLN A 74 10.650 3.752 -3.164 1.00 0.00 C ATOM 1086 CG GLN A 74 10.303 3.121 -1.814 1.00 0.00 C ATOM 1087 CD GLN A 74 10.648 1.631 -1.799 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.753 1.220 -2.110 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.642 0.847 -1.420 1.00 0.00 N ATOM 0 H GLN A 74 8.416 3.097 -4.023 1.00 0.00 H new ATOM 0 HA GLN A 74 9.371 5.396 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.728 2.974 -3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.625 4.236 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.847 3.632 -1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.241 3.254 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.741 1.257 -1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.772 -0.164 -1.377 1.00 0.00 H new ATOM 1098 N PHE A 75 9.786 5.294 -5.925 1.00 0.00 N ATOM 1099 CA PHE A 75 10.213 6.057 -7.086 1.00 0.00 C ATOM 1100 C PHE A 75 9.559 7.440 -7.105 1.00 0.00 C ATOM 1101 O PHE A 75 10.249 8.456 -7.168 1.00 0.00 O ATOM 1102 CB PHE A 75 9.763 5.277 -8.324 1.00 0.00 C ATOM 1103 CG PHE A 75 9.618 6.136 -9.582 1.00 0.00 C ATOM 1104 CD1 PHE A 75 8.442 6.767 -9.842 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.666 6.267 -10.440 1.00 0.00 C ATOM 1106 CE1 PHE A 75 8.307 7.565 -11.009 1.00 0.00 C ATOM 1107 CE2 PHE A 75 10.531 7.064 -11.607 1.00 0.00 C ATOM 1108 CZ PHE A 75 9.354 7.696 -11.868 1.00 0.00 C ATOM 0 H PHE A 75 9.232 4.465 -6.139 1.00 0.00 H new ATOM 0 HA PHE A 75 11.294 6.196 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.482 4.481 -8.521 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.807 4.798 -8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.610 6.661 -9.161 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.600 5.765 -10.233 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.374 8.068 -11.215 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.363 7.169 -12.288 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.251 8.301 -12.757 1.00 0.00 H new ATOM 1118 N TYR A 76 8.235 7.434 -7.047 1.00 0.00 N ATOM 1119 CA TYR A 76 7.480 8.675 -7.056 1.00 0.00 C ATOM 1120 C TYR A 76 7.689 9.453 -5.755 1.00 0.00 C ATOM 1121 O TYR A 76 8.025 10.636 -5.781 1.00 0.00 O ATOM 1122 CB TYR A 76 6.008 8.273 -7.165 1.00 0.00 C ATOM 1123 CG TYR A 76 5.528 8.050 -8.601 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.587 9.082 -9.515 1.00 0.00 C ATOM 1125 CD2 TYR A 76 5.038 6.817 -8.982 1.00 0.00 C ATOM 1126 CE1 TYR A 76 5.135 8.874 -10.867 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.587 6.608 -10.333 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.658 7.647 -11.209 1.00 0.00 C ATOM 1129 OH TYR A 76 4.232 7.450 -12.485 1.00 0.00 O ATOM 0 H TYR A 76 7.666 6.589 -6.994 1.00 0.00 H new ATOM 0 HA TYR A 76 7.801 9.313 -7.879 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.848 7.359 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.395 9.048 -6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.972 10.046 -9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.993 6.009 -8.267 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.174 9.674 -11.592 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.201 5.649 -10.644 1.00 0.00 H new ATOM 0 HH TYR A 76 3.919 6.527 -12.587 1.00 0.00 H new ATOM 1139 N ILE A 77 7.480 8.757 -4.647 1.00 0.00 N ATOM 1140 CA ILE A 77 7.640 9.367 -3.338 1.00 0.00 C ATOM 1141 C ILE A 77 8.836 8.732 -2.626 1.00 0.00 C ATOM 1142 O ILE A 77 8.861 7.521 -2.408 1.00 0.00 O ATOM 1143 CB ILE A 77 6.335 9.283 -2.544 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.218 10.065 -3.238 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.542 9.741 -1.098 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.857 9.745 -2.617 1.00 0.00 C ATOM 0 H ILE A 77 7.201 7.776 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 77 7.857 10.431 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 77 6.023 8.239 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.415 11.134 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.204 9.820 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.599 9.671 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.285 9.104 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.890 10.774 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.081 10.314 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.652 8.679 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.867 10.013 -1.561 1.00 0.00 H new ATOM 1158 N PRO A 78 9.824 9.598 -2.276 1.00 0.00 N ATOM 1159 CA PRO A 78 11.020 9.133 -1.594 1.00 0.00 C ATOM 1160 C PRO A 78 10.725 8.819 -0.126 1.00 0.00 C ATOM 1161 O PRO A 78 11.551 8.221 0.562 1.00 0.00 O ATOM 1162 CB PRO A 78 12.033 10.252 -1.770 1.00 0.00 C ATOM 1163 CG PRO A 78 11.230 11.488 -2.138 1.00 0.00 C ATOM 1164 CD PRO A 78 9.828 11.038 -2.519 1.00 0.00 C ATOM 0 HA PRO A 78 11.403 8.199 -2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.600 10.413 -0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.753 10.007 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.193 12.183 -1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.700 12.015 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.072 11.543 -1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.609 11.264 -3.562 1.00 0.00 H new ATOM 1172 N GLU A 79 9.546 9.238 0.312 1.00 0.00 N ATOM 1173 CA GLU A 79 9.134 9.009 1.686 1.00 0.00 C ATOM 1174 C GLU A 79 9.082 7.509 1.982 1.00 0.00 C ATOM 1175 O GLU A 79 9.940 6.981 2.689 1.00 0.00 O ATOM 1176 CB GLU A 79 7.784 9.670 1.970 1.00 0.00 C ATOM 1177 CG GLU A 79 7.764 11.114 1.466 1.00 0.00 C ATOM 1178 CD GLU A 79 7.604 12.099 2.626 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.214 11.834 3.684 1.00 0.00 O ATOM 1180 OE2 GLU A 79 6.875 13.095 2.428 1.00 0.00 O ATOM 0 H GLU A 79 8.864 9.735 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 79 9.872 9.464 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.988 9.102 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.585 9.652 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.688 11.328 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.945 11.244 0.758 1.00 0.00 H new ATOM 1187 N VAL A 80 8.068 6.862 1.426 1.00 0.00 N ATOM 1188 CA VAL A 80 7.892 5.434 1.621 1.00 0.00 C ATOM 1189 C VAL A 80 9.237 4.729 1.429 1.00 0.00 C ATOM 1190 O VAL A 80 10.103 5.222 0.708 1.00 0.00 O ATOM 1191 CB VAL A 80 6.802 4.907 0.686 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.963 5.483 -0.722 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.797 3.377 0.656 1.00 0.00 C ATOM 0 H VAL A 80 7.359 7.302 0.839 1.00 0.00 H new ATOM 0 HA VAL A 80 7.557 5.226 2.637 1.00 0.00 H new ATOM 0 HB VAL A 80 5.839 5.237 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.176 5.093 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.893 6.570 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.936 5.197 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.013 3.029 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.763 3.017 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.611 2.994 1.659 1.00 0.00 H new ATOM 1203 N GLU A 81 9.369 3.585 2.086 1.00 0.00 N ATOM 1204 CA GLU A 81 10.592 2.808 1.996 1.00 0.00 C ATOM 1205 C GLU A 81 10.292 1.404 1.467 1.00 0.00 C ATOM 1206 O GLU A 81 11.043 0.870 0.653 1.00 0.00 O ATOM 1207 CB GLU A 81 11.302 2.744 3.350 1.00 0.00 C ATOM 1208 CG GLU A 81 12.216 3.955 3.548 1.00 0.00 C ATOM 1209 CD GLU A 81 13.564 3.534 4.135 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.258 2.745 3.457 1.00 0.00 O ATOM 1211 OE2 GLU A 81 13.871 4.010 5.250 1.00 0.00 O ATOM 0 H GLU A 81 8.648 3.179 2.683 1.00 0.00 H new ATOM 0 HA GLU A 81 11.263 3.303 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.563 2.707 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.888 1.827 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.372 4.457 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.735 4.674 4.211 1.00 0.00 H new ATOM 1218 N GLY A 82 9.192 0.847 1.952 1.00 0.00 N ATOM 1219 CA GLY A 82 8.782 -0.484 1.538 1.00 0.00 C ATOM 1220 C GLY A 82 7.270 -0.662 1.682 1.00 0.00 C ATOM 1221 O GLY A 82 6.537 0.315 1.825 1.00 0.00 O ATOM 0 H GLY A 82 8.572 1.293 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.074 -0.652 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.299 -1.231 2.140 1.00 0.00 H new ATOM 1225 N VAL A 83 6.847 -1.918 1.639 1.00 0.00 N ATOM 1226 CA VAL A 83 5.435 -2.237 1.762 1.00 0.00 C ATOM 1227 C VAL A 83 5.262 -3.388 2.753 1.00 0.00 C ATOM 1228 O VAL A 83 6.162 -4.210 2.919 1.00 0.00 O ATOM 1229 CB VAL A 83 4.844 -2.539 0.383 1.00 0.00 C ATOM 1230 CG1 VAL A 83 3.315 -2.574 0.437 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.333 -1.530 -0.657 1.00 0.00 C ATOM 0 H VAL A 83 7.458 -2.726 1.521 1.00 0.00 H new ATOM 0 HA VAL A 83 4.883 -1.384 2.156 1.00 0.00 H new ATOM 0 HB VAL A 83 5.191 -3.527 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.921 -2.790 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.993 -3.349 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.941 -1.607 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.898 -1.768 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.030 -0.526 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.420 -1.576 -0.726 1.00 0.00 H new ATOM 1241 N GLU A 84 4.098 -3.412 3.387 1.00 0.00 N ATOM 1242 CA GLU A 84 3.795 -4.450 4.358 1.00 0.00 C ATOM 1243 C GLU A 84 2.284 -4.677 4.437 1.00 0.00 C ATOM 1244 O GLU A 84 1.501 -3.817 4.038 1.00 0.00 O ATOM 1245 CB GLU A 84 4.370 -4.100 5.732 1.00 0.00 C ATOM 1246 CG GLU A 84 5.691 -4.832 5.976 1.00 0.00 C ATOM 1247 CD GLU A 84 5.457 -6.327 6.197 1.00 0.00 C ATOM 1248 OE1 GLU A 84 4.842 -6.658 7.235 1.00 0.00 O ATOM 1249 OE2 GLU A 84 5.897 -7.107 5.326 1.00 0.00 O ATOM 0 H GLU A 84 3.354 -2.729 3.247 1.00 0.00 H new ATOM 0 HA GLU A 84 4.265 -5.377 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.528 -3.024 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.653 -4.367 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.354 -4.686 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.191 -4.406 6.846 1.00 0.00 H new ATOM 1256 N GLN A 85 1.920 -5.842 4.955 1.00 0.00 N ATOM 1257 CA GLN A 85 0.518 -6.194 5.092 1.00 0.00 C ATOM 1258 C GLN A 85 0.139 -6.302 6.571 1.00 0.00 C ATOM 1259 O GLN A 85 0.209 -7.382 7.155 1.00 0.00 O ATOM 1260 CB GLN A 85 0.202 -7.492 4.348 1.00 0.00 C ATOM 1261 CG GLN A 85 -1.273 -7.867 4.498 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.449 -9.018 5.491 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -1.701 -8.821 6.668 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -1.305 -10.224 4.952 1.00 0.00 N ATOM 0 H GLN A 85 2.573 -6.553 5.284 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.080 -5.402 4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.446 -7.378 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.826 -8.298 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.840 -7.000 4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.679 -8.154 3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.094 -10.317 3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.405 -11.057 5.532 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.254 -5.170 7.134 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.643 -5.125 8.533 1.00 0.00 C ATOM 1275 C VAL A 86 -1.677 -6.219 8.806 1.00 0.00 C ATOM 1276 O VAL A 86 -2.546 -6.477 7.975 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.146 -3.724 8.891 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.022 -2.759 9.103 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.106 -3.197 7.823 1.00 0.00 C ATOM 0 H VAL A 86 -0.312 -4.276 6.647 1.00 0.00 H new ATOM 0 HA VAL A 86 0.216 -5.322 9.175 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.695 -3.795 9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.363 -1.771 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.651 -3.122 9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.612 -2.695 8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.449 -2.200 8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.592 -3.149 6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.963 -3.866 7.742 1.00 0.00 H new