USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 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 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 176:sc= -1.19 (180deg=-1.36) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 THR OG1 : rot 1:sc= 0.825 USER MOD Single : A 183 SER OG : rot -13:sc= 0.461 USER MOD Single : A 185 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 THR OG1 : rot 27:sc= 0.124 USER MOD Single : A 209 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 214 SER OG : rot -78:sc= 0.43 USER MOD Single : A 216 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 168 -16.355 9.717 -1.507 1.00 0.00 N ATOM 90 CA ALA A 168 -15.265 10.556 -0.979 1.00 0.00 C ATOM 91 C ALA A 168 -14.495 9.748 0.072 1.00 0.00 C ATOM 92 O ALA A 168 -13.267 9.661 0.054 1.00 0.00 O ATOM 93 CB ALA A 168 -15.853 11.827 -0.332 1.00 0.00 C ATOM 0 HA ALA A 168 -14.595 10.851 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -15.044 12.445 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -16.412 12.390 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -16.519 11.545 0.484 1.00 0.00 H new ATOM 99 N SER A 169 -15.248 9.110 0.974 1.00 0.00 N ATOM 100 CA SER A 169 -14.655 8.258 2.016 1.00 0.00 C ATOM 101 C SER A 169 -13.996 7.038 1.368 1.00 0.00 C ATOM 102 O SER A 169 -12.836 6.731 1.642 1.00 0.00 O ATOM 103 CB SER A 169 -15.755 7.814 3.004 1.00 0.00 C ATOM 104 OG SER A 169 -15.200 6.983 4.028 1.00 0.00 O ATOM 0 H SER A 169 -16.266 9.166 1.006 1.00 0.00 H new ATOM 0 HA SER A 169 -13.895 8.818 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 169 -16.225 8.689 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 169 -16.535 7.272 2.470 1.00 0.00 H new ATOM 0 HG SER A 169 -15.908 6.710 4.648 1.00 0.00 H new ATOM 110 N THR A 170 -14.730 6.349 0.484 1.00 0.00 N ATOM 111 CA THR A 170 -14.197 5.150 -0.192 1.00 0.00 C ATOM 112 C THR A 170 -12.857 5.443 -0.879 1.00 0.00 C ATOM 113 O THR A 170 -11.873 4.748 -0.639 1.00 0.00 O ATOM 114 CB THR A 170 -15.220 4.601 -1.218 1.00 0.00 C ATOM 115 OG1 THR A 170 -16.406 4.199 -0.526 1.00 0.00 O ATOM 116 CG2 THR A 170 -14.690 3.395 -2.025 1.00 0.00 C ATOM 0 H THR A 170 -15.684 6.594 0.220 1.00 0.00 H new ATOM 0 HA THR A 170 -14.024 4.391 0.571 1.00 0.00 H new ATOM 0 HB THR A 170 -15.418 5.405 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 170 -17.059 3.852 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 170 -15.456 3.060 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 170 -13.798 3.691 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 170 -14.441 2.582 -1.343 1.00 0.00 H new ATOM 124 N PHE A 171 -12.795 6.478 -1.722 1.00 0.00 N ATOM 125 CA PHE A 171 -11.555 6.823 -2.436 1.00 0.00 C ATOM 126 C PHE A 171 -10.391 7.061 -1.468 1.00 0.00 C ATOM 127 O PHE A 171 -9.310 6.507 -1.656 1.00 0.00 O ATOM 128 CB PHE A 171 -11.777 8.080 -3.307 1.00 0.00 C ATOM 129 CG PHE A 171 -10.608 8.416 -4.141 1.00 0.00 C ATOM 130 CD1 PHE A 171 -10.170 7.524 -5.125 1.00 0.00 C ATOM 131 CD2 PHE A 171 -9.910 9.609 -3.925 1.00 0.00 C ATOM 132 CE1 PHE A 171 -9.039 7.820 -5.888 1.00 0.00 C ATOM 133 CE2 PHE A 171 -8.778 9.905 -4.687 1.00 0.00 C ATOM 134 CZ PHE A 171 -8.342 9.011 -5.668 1.00 0.00 C ATOM 0 H PHE A 171 -13.584 7.091 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 171 -11.294 5.978 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -12.642 7.921 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -12.011 8.926 -2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -10.708 6.603 -5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -10.247 10.302 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -8.703 7.129 -6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -8.239 10.826 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 171 -7.466 9.240 -6.257 1.00 0.00 H new ATOM 144 N LYS A 172 -10.588 7.879 -0.428 1.00 0.00 N ATOM 145 CA LYS A 172 -9.515 8.140 0.552 1.00 0.00 C ATOM 146 C LYS A 172 -8.976 6.839 1.167 1.00 0.00 C ATOM 147 O LYS A 172 -7.765 6.617 1.221 1.00 0.00 O ATOM 148 CB LYS A 172 -10.049 9.048 1.683 1.00 0.00 C ATOM 149 CG LYS A 172 -8.922 9.538 2.625 1.00 0.00 C ATOM 150 CD LYS A 172 -9.212 9.306 4.124 1.00 0.00 C ATOM 151 CE LYS A 172 -9.311 7.817 4.527 1.00 0.00 C ATOM 152 NZ LYS A 172 -8.057 7.111 4.209 1.00 0.00 N ATOM 0 H LYS A 172 -11.464 8.367 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 172 -8.699 8.633 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -10.555 9.909 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -10.793 8.502 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -7.995 9.029 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -8.759 10.603 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -8.425 9.778 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -10.146 9.804 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -9.520 7.736 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -10.143 7.347 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -8.116 6.129 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -7.908 7.114 3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -7.261 7.591 4.675 1.00 0.00 H new ATOM 166 N VAL A 173 -9.875 5.983 1.662 1.00 0.00 N ATOM 167 CA VAL A 173 -9.486 4.697 2.272 1.00 0.00 C ATOM 168 C VAL A 173 -8.719 3.810 1.283 1.00 0.00 C ATOM 169 O VAL A 173 -7.569 3.450 1.529 1.00 0.00 O ATOM 170 CB VAL A 173 -10.754 3.968 2.789 1.00 0.00 C ATOM 171 CG1 VAL A 173 -10.442 2.551 3.325 1.00 0.00 C ATOM 172 CG2 VAL A 173 -11.471 4.787 3.885 1.00 0.00 C ATOM 0 H VAL A 173 -10.881 6.153 1.655 1.00 0.00 H new ATOM 0 HA VAL A 173 -8.816 4.901 3.108 1.00 0.00 H new ATOM 0 HB VAL A 173 -11.415 3.868 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -11.362 2.083 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -10.009 1.948 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -9.735 2.622 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -12.355 4.246 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -10.795 4.940 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -11.770 5.754 3.480 1.00 0.00 H new ATOM 182 N LEU A 174 -9.337 3.475 0.149 1.00 0.00 N ATOM 183 CA LEU A 174 -8.725 2.576 -0.845 1.00 0.00 C ATOM 184 C LEU A 174 -7.381 3.096 -1.360 1.00 0.00 C ATOM 185 O LEU A 174 -6.447 2.318 -1.542 1.00 0.00 O ATOM 186 CB LEU A 174 -9.692 2.317 -2.023 1.00 0.00 C ATOM 187 CG LEU A 174 -10.732 1.206 -1.734 1.00 0.00 C ATOM 188 CD1 LEU A 174 -11.674 1.530 -0.554 1.00 0.00 C ATOM 189 CD2 LEU A 174 -11.540 0.866 -3.005 1.00 0.00 C ATOM 0 H LEU A 174 -10.265 3.812 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 174 -8.529 1.633 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -10.217 3.242 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -9.113 2.042 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 174 -10.159 0.330 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -12.374 0.707 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -11.086 1.668 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -12.227 2.444 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -12.264 0.083 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -12.065 1.756 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -10.862 0.518 -3.785 1.00 0.00 H new ATOM 201 N ARG A 175 -7.254 4.399 -1.624 1.00 0.00 N ATOM 202 CA ARG A 175 -5.950 4.944 -2.027 1.00 0.00 C ATOM 203 C ARG A 175 -4.878 4.749 -0.957 1.00 0.00 C ATOM 204 O ARG A 175 -3.772 4.310 -1.265 1.00 0.00 O ATOM 205 CB ARG A 175 -6.023 6.430 -2.444 1.00 0.00 C ATOM 206 CG ARG A 175 -6.678 6.673 -3.826 1.00 0.00 C ATOM 207 CD ARG A 175 -6.223 5.690 -4.939 1.00 0.00 C ATOM 208 NE ARG A 175 -4.802 5.321 -4.779 1.00 0.00 N ATOM 209 CZ ARG A 175 -3.793 6.144 -5.062 1.00 0.00 C ATOM 210 NH1 ARG A 175 -4.003 7.353 -5.582 1.00 0.00 N ATOM 211 NH2 ARG A 175 -2.560 5.721 -4.813 1.00 0.00 N ATOM 0 H ARG A 175 -8.011 5.080 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 175 -5.660 4.367 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -6.583 6.980 -1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -5.014 6.842 -2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -7.760 6.603 -3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -6.455 7.691 -4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -6.840 4.792 -4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -6.374 6.148 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.581 4.387 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -4.954 7.668 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.212 7.963 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -2.409 4.793 -4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -1.763 6.324 -5.017 1.00 0.00 H new ATOM 225 N ASN A 176 -5.180 5.077 0.303 1.00 0.00 N ATOM 226 CA ASN A 176 -4.225 4.821 1.398 1.00 0.00 C ATOM 227 C ASN A 176 -3.774 3.353 1.391 1.00 0.00 C ATOM 228 O ASN A 176 -2.581 3.056 1.391 1.00 0.00 O ATOM 229 CB ASN A 176 -4.892 5.146 2.752 1.00 0.00 C ATOM 230 CG ASN A 176 -3.847 5.051 3.869 1.00 0.00 C ATOM 231 OD1 ASN A 176 -2.972 5.903 4.001 1.00 0.00 O ATOM 232 ND2 ASN A 176 -3.905 4.003 4.685 1.00 0.00 N ATOM 0 H ASN A 176 -6.057 5.511 0.592 1.00 0.00 H new ATOM 0 HA ASN A 176 -3.352 5.457 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -5.324 6.147 2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -5.710 4.451 2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -3.218 3.899 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -4.637 3.303 4.564 1.00 0.00 H new ATOM 239 N VAL A 177 -4.737 2.429 1.364 1.00 0.00 N ATOM 240 CA VAL A 177 -4.450 0.983 1.324 1.00 0.00 C ATOM 241 C VAL A 177 -3.517 0.609 0.163 1.00 0.00 C ATOM 242 O VAL A 177 -2.484 -0.019 0.381 1.00 0.00 O ATOM 243 CB VAL A 177 -5.785 0.196 1.236 1.00 0.00 C ATOM 244 CG1 VAL A 177 -5.568 -1.320 1.020 1.00 0.00 C ATOM 245 CG2 VAL A 177 -6.644 0.418 2.500 1.00 0.00 C ATOM 0 H VAL A 177 -5.732 2.654 1.369 1.00 0.00 H new ATOM 0 HA VAL A 177 -3.927 0.714 2.242 1.00 0.00 H new ATOM 0 HB VAL A 177 -6.311 0.586 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 177 -6.534 -1.822 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 177 -5.023 -1.481 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 177 -4.994 -1.728 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 177 -7.573 -0.145 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 177 -6.095 0.077 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 177 -6.871 1.479 2.604 1.00 0.00 H new ATOM 255 N THR A 178 -3.861 0.979 -1.074 1.00 0.00 N ATOM 256 CA THR A 178 -3.021 0.660 -2.246 1.00 0.00 C ATOM 257 C THR A 178 -1.581 1.170 -2.098 1.00 0.00 C ATOM 258 O THR A 178 -0.635 0.437 -2.380 1.00 0.00 O ATOM 259 CB THR A 178 -3.660 1.189 -3.555 1.00 0.00 C ATOM 260 OG1 THR A 178 -4.026 2.564 -3.410 1.00 0.00 O ATOM 261 CG2 THR A 178 -4.909 0.380 -3.962 1.00 0.00 C ATOM 0 H THR A 178 -4.711 1.498 -1.296 1.00 0.00 H new ATOM 0 HA THR A 178 -2.969 -0.427 -2.301 1.00 0.00 H new ATOM 0 HB THR A 178 -2.910 1.079 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 178 -3.777 2.876 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 178 -5.322 0.788 -4.885 1.00 0.00 H new ATOM 0 HG22 THR A 178 -4.632 -0.663 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 178 -5.657 0.443 -3.171 1.00 0.00 H new ATOM 269 N VAL A 179 -1.394 2.422 -1.669 1.00 0.00 N ATOM 270 CA VAL A 179 -0.041 2.967 -1.438 1.00 0.00 C ATOM 271 C VAL A 179 0.739 2.139 -0.405 1.00 0.00 C ATOM 272 O VAL A 179 1.860 1.709 -0.669 1.00 0.00 O ATOM 273 CB VAL A 179 -0.135 4.447 -0.985 1.00 0.00 C ATOM 274 CG1 VAL A 179 1.245 5.026 -0.595 1.00 0.00 C ATOM 275 CG2 VAL A 179 -0.774 5.330 -2.080 1.00 0.00 C ATOM 0 H VAL A 179 -2.151 3.077 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 179 0.506 2.913 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.772 4.457 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.129 6.064 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.664 4.446 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.916 4.976 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -0.826 6.361 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -0.168 5.283 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -1.780 4.970 -2.297 1.00 0.00 H new ATOM 285 N VAL A 180 0.163 1.920 0.779 1.00 0.00 N ATOM 286 CA VAL A 180 0.826 1.145 1.848 1.00 0.00 C ATOM 287 C VAL A 180 1.197 -0.272 1.381 1.00 0.00 C ATOM 288 O VAL A 180 2.298 -0.756 1.633 1.00 0.00 O ATOM 289 CB VAL A 180 -0.102 1.105 3.091 1.00 0.00 C ATOM 290 CG1 VAL A 180 0.443 0.188 4.209 1.00 0.00 C ATOM 291 CG2 VAL A 180 -0.328 2.527 3.656 1.00 0.00 C ATOM 0 H VAL A 180 -0.763 2.266 1.029 1.00 0.00 H new ATOM 0 HA VAL A 180 1.763 1.637 2.111 1.00 0.00 H new ATOM 0 HB VAL A 180 -1.051 0.690 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -0.245 0.197 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.539 -0.830 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 180 1.420 0.549 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -0.982 2.473 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 180 0.629 2.959 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.791 3.152 2.893 1.00 0.00 H new ATOM 301 N LEU A 181 0.267 -0.957 0.716 1.00 0.00 N ATOM 302 CA LEU A 181 0.513 -2.293 0.146 1.00 0.00 C ATOM 303 C LEU A 181 1.705 -2.254 -0.820 1.00 0.00 C ATOM 304 O LEU A 181 2.655 -3.026 -0.691 1.00 0.00 O ATOM 305 CB LEU A 181 -0.787 -2.718 -0.584 1.00 0.00 C ATOM 306 CG LEU A 181 -0.856 -4.186 -1.073 1.00 0.00 C ATOM 307 CD1 LEU A 181 -2.313 -4.553 -1.426 1.00 0.00 C ATOM 308 CD2 LEU A 181 0.056 -4.471 -2.288 1.00 0.00 C ATOM 0 H LEU A 181 -0.678 -0.608 0.554 1.00 0.00 H new ATOM 0 HA LEU A 181 0.763 -3.012 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 181 -1.628 -2.542 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 181 -0.924 -2.065 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 181 -0.492 -4.804 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 181 -2.355 -5.587 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 181 -2.941 -4.438 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 181 -2.673 -3.894 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 181 -0.041 -5.517 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 181 -0.239 -3.834 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 181 1.092 -4.263 -2.022 1.00 0.00 H new ATOM 320 N TRP A 182 1.662 -1.341 -1.792 1.00 0.00 N ATOM 321 CA TRP A 182 2.741 -1.183 -2.782 1.00 0.00 C ATOM 322 C TRP A 182 4.105 -0.976 -2.117 1.00 0.00 C ATOM 323 O TRP A 182 5.066 -1.660 -2.455 1.00 0.00 O ATOM 324 CB TRP A 182 2.401 0.014 -3.702 1.00 0.00 C ATOM 325 CG TRP A 182 3.477 0.196 -4.779 1.00 0.00 C ATOM 326 CD1 TRP A 182 4.801 0.630 -4.591 1.00 0.00 C ATOM 327 CD2 TRP A 182 3.365 -0.071 -6.155 1.00 0.00 C ATOM 328 NE1 TRP A 182 5.486 0.633 -5.764 1.00 0.00 N ATOM 329 CE2 TRP A 182 4.629 0.208 -6.738 1.00 0.00 C ATOM 330 CE3 TRP A 182 2.313 -0.529 -6.951 1.00 0.00 C ATOM 331 CZ2 TRP A 182 4.803 0.019 -8.111 1.00 0.00 C ATOM 332 CZ3 TRP A 182 2.504 -0.711 -8.322 1.00 0.00 C ATOM 333 CH2 TRP A 182 3.746 -0.438 -8.899 1.00 0.00 C ATOM 0 H TRP A 182 0.886 -0.692 -1.919 1.00 0.00 H new ATOM 0 HA TRP A 182 2.812 -2.100 -3.368 1.00 0.00 H new ATOM 0 HB2 TRP A 182 1.432 -0.148 -4.174 1.00 0.00 H new ATOM 0 HB3 TRP A 182 2.318 0.924 -3.107 1.00 0.00 H new ATOM 0 HD1 TRP A 182 5.219 0.923 -3.639 1.00 0.00 H new ATOM 0 HE1 TRP A 182 6.461 0.903 -5.893 1.00 0.00 H new ATOM 0 HE3 TRP A 182 1.352 -0.742 -6.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 182 5.760 0.228 -8.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 182 1.690 -1.064 -8.937 1.00 0.00 H new ATOM 0 HH2 TRP A 182 3.889 -0.581 -9.960 1.00 0.00 H new ATOM 344 N SER A 183 4.209 -0.022 -1.190 1.00 0.00 N ATOM 345 CA SER A 183 5.474 0.270 -0.487 1.00 0.00 C ATOM 346 C SER A 183 5.991 -0.924 0.332 1.00 0.00 C ATOM 347 O SER A 183 7.193 -1.182 0.390 1.00 0.00 O ATOM 348 CB SER A 183 5.292 1.513 0.415 1.00 0.00 C ATOM 349 OG SER A 183 4.226 1.306 1.346 1.00 0.00 O ATOM 0 H SER A 183 3.429 0.569 -0.902 1.00 0.00 H new ATOM 0 HA SER A 183 6.230 0.472 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 183 6.218 1.718 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 183 5.081 2.388 -0.200 1.00 0.00 H new ATOM 0 HG SER A 183 3.713 0.513 1.085 1.00 0.00 H new ATOM 355 N ALA A 184 5.091 -1.641 1.010 1.00 0.00 N ATOM 356 CA ALA A 184 5.454 -2.869 1.742 1.00 0.00 C ATOM 357 C ALA A 184 6.075 -3.937 0.830 1.00 0.00 C ATOM 358 O ALA A 184 7.098 -4.527 1.168 1.00 0.00 O ATOM 359 CB ALA A 184 4.187 -3.444 2.407 1.00 0.00 C ATOM 0 H ALA A 184 4.103 -1.396 1.070 1.00 0.00 H new ATOM 0 HA ALA A 184 6.204 -2.602 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 184 4.443 -4.353 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 184 3.774 -2.710 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.447 -3.676 1.641 1.00 0.00 H new ATOM 365 N TYR A 185 5.446 -4.204 -0.320 1.00 0.00 N ATOM 366 CA TYR A 185 5.894 -5.242 -1.273 1.00 0.00 C ATOM 367 C TYR A 185 7.427 -5.303 -1.483 1.00 0.00 C ATOM 368 O TYR A 185 8.020 -6.351 -1.233 1.00 0.00 O ATOM 369 CB TYR A 185 5.165 -5.024 -2.625 1.00 0.00 C ATOM 370 CG TYR A 185 5.284 -6.110 -3.625 1.00 0.00 C ATOM 371 CD1 TYR A 185 5.880 -7.341 -3.320 1.00 0.00 C ATOM 372 CD2 TYR A 185 4.763 -5.897 -4.904 1.00 0.00 C ATOM 373 CE1 TYR A 185 5.956 -8.343 -4.289 1.00 0.00 C ATOM 374 CE2 TYR A 185 4.837 -6.900 -5.873 1.00 0.00 C ATOM 375 CZ TYR A 185 5.435 -8.124 -5.566 1.00 0.00 C ATOM 376 OH TYR A 185 5.506 -9.113 -6.527 1.00 0.00 O ATOM 0 H TYR A 185 4.608 -3.708 -0.623 1.00 0.00 H new ATOM 0 HA TYR A 185 5.633 -6.207 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 185 4.106 -4.865 -2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 185 5.545 -4.106 -3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 185 6.282 -7.515 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 185 4.300 -4.951 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 185 6.419 -9.289 -4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 185 4.432 -6.729 -6.859 1.00 0.00 H new ATOM 0 HH TYR A 185 5.095 -8.793 -7.357 1.00 0.00 H new ATOM 386 N PRO A 186 8.119 -4.236 -1.916 1.00 0.00 N ATOM 387 CA PRO A 186 9.576 -4.256 -2.138 1.00 0.00 C ATOM 388 C PRO A 186 10.361 -4.563 -0.860 1.00 0.00 C ATOM 389 O PRO A 186 11.375 -5.253 -0.913 1.00 0.00 O ATOM 390 CB PRO A 186 9.904 -2.856 -2.685 1.00 0.00 C ATOM 391 CG PRO A 186 8.800 -1.989 -2.108 1.00 0.00 C ATOM 392 CD PRO A 186 7.572 -2.905 -2.194 1.00 0.00 C ATOM 0 HA PRO A 186 9.864 -5.049 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 186 10.890 -2.519 -2.364 1.00 0.00 H new ATOM 0 HB3 PRO A 186 9.901 -2.839 -3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 186 9.013 -1.693 -1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 186 8.663 -1.073 -2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 186 6.810 -2.624 -1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 186 7.106 -2.860 -3.178 1.00 0.00 H new ATOM 400 N VAL A 187 9.927 -4.044 0.293 1.00 0.00 N ATOM 401 CA VAL A 187 10.565 -4.388 1.581 1.00 0.00 C ATOM 402 C VAL A 187 10.508 -5.905 1.830 1.00 0.00 C ATOM 403 O VAL A 187 11.524 -6.547 2.090 1.00 0.00 O ATOM 404 CB VAL A 187 9.866 -3.631 2.742 1.00 0.00 C ATOM 405 CG1 VAL A 187 10.525 -3.927 4.108 1.00 0.00 C ATOM 406 CG2 VAL A 187 9.814 -2.109 2.490 1.00 0.00 C ATOM 0 H VAL A 187 9.147 -3.391 0.368 1.00 0.00 H new ATOM 0 HA VAL A 187 11.611 -4.086 1.537 1.00 0.00 H new ATOM 0 HB VAL A 187 8.842 -4.004 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 187 10.003 -3.376 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 187 10.467 -4.995 4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 187 11.570 -3.618 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 187 9.317 -1.618 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.828 -1.721 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.260 -1.911 1.572 1.00 0.00 H new ATOM 416 N VAL A 188 9.305 -6.483 1.748 1.00 0.00 N ATOM 417 CA VAL A 188 9.106 -7.935 1.922 1.00 0.00 C ATOM 418 C VAL A 188 10.017 -8.740 0.983 1.00 0.00 C ATOM 419 O VAL A 188 10.715 -9.660 1.409 1.00 0.00 O ATOM 420 CB VAL A 188 7.613 -8.280 1.666 1.00 0.00 C ATOM 421 CG1 VAL A 188 7.341 -9.801 1.677 1.00 0.00 C ATOM 422 CG2 VAL A 188 6.689 -7.575 2.684 1.00 0.00 C ATOM 0 H VAL A 188 8.445 -5.967 1.561 1.00 0.00 H new ATOM 0 HA VAL A 188 9.372 -8.207 2.943 1.00 0.00 H new ATOM 0 HB VAL A 188 7.388 -7.911 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 188 6.282 -9.983 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 188 7.932 -10.282 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.616 -10.213 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 188 5.652 -7.838 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.949 -7.894 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.813 -6.495 2.601 1.00 0.00 H new ATOM 432 N TRP A 189 10.004 -8.393 -0.307 1.00 0.00 N ATOM 433 CA TRP A 189 10.874 -9.039 -1.305 1.00 0.00 C ATOM 434 C TRP A 189 12.347 -8.976 -0.881 1.00 0.00 C ATOM 435 O TRP A 189 13.025 -9.997 -0.805 1.00 0.00 O ATOM 436 CB TRP A 189 10.722 -8.315 -2.661 1.00 0.00 C ATOM 437 CG TRP A 189 11.542 -9.063 -3.715 1.00 0.00 C ATOM 438 CD1 TRP A 189 11.200 -10.272 -4.343 1.00 0.00 C ATOM 439 CD2 TRP A 189 12.830 -8.747 -4.184 1.00 0.00 C ATOM 440 NE1 TRP A 189 12.203 -10.702 -5.153 1.00 0.00 N ATOM 441 CE2 TRP A 189 13.214 -9.789 -5.070 1.00 0.00 C ATOM 442 CE3 TRP A 189 13.709 -7.696 -3.917 1.00 0.00 C ATOM 443 CZ2 TRP A 189 14.474 -9.742 -5.671 1.00 0.00 C ATOM 444 CZ3 TRP A 189 14.966 -7.666 -4.523 1.00 0.00 C ATOM 445 CH2 TRP A 189 15.347 -8.686 -5.399 1.00 0.00 C ATOM 0 H TRP A 189 9.400 -7.666 -0.690 1.00 0.00 H new ATOM 0 HA TRP A 189 10.575 -10.084 -1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 189 9.673 -8.280 -2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 189 11.065 -7.284 -2.578 1.00 0.00 H new ATOM 0 HD1 TRP A 189 10.264 -10.791 -4.201 1.00 0.00 H new ATOM 0 HE1 TRP A 189 12.201 -11.551 -5.719 1.00 0.00 H new ATOM 0 HE3 TRP A 189 13.416 -6.906 -3.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 189 14.775 -10.526 -6.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 189 15.646 -6.853 -4.314 1.00 0.00 H new ATOM 0 HH2 TRP A 189 16.320 -8.658 -5.867 1.00 0.00 H new ATOM 456 N LEU A 190 12.844 -7.767 -0.606 1.00 0.00 N ATOM 457 CA LEU A 190 14.241 -7.534 -0.203 1.00 0.00 C ATOM 458 C LEU A 190 14.666 -8.483 0.925 1.00 0.00 C ATOM 459 O LEU A 190 15.685 -9.168 0.833 1.00 0.00 O ATOM 460 CB LEU A 190 14.367 -6.066 0.261 1.00 0.00 C ATOM 461 CG LEU A 190 15.816 -5.644 0.584 1.00 0.00 C ATOM 462 CD1 LEU A 190 16.712 -5.643 -0.674 1.00 0.00 C ATOM 463 CD2 LEU A 190 15.861 -4.285 1.312 1.00 0.00 C ATOM 0 H LEU A 190 12.287 -6.914 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 190 14.898 -7.727 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 190 13.972 -5.412 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 190 13.748 -5.919 1.146 1.00 0.00 H new ATOM 0 HG LEU A 190 16.222 -6.393 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 190 17.723 -5.340 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 190 16.737 -6.644 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 190 16.309 -4.944 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 190 16.897 -4.020 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 190 15.412 -3.519 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 190 15.306 -4.355 2.248 1.00 0.00 H new ATOM 475 N ILE A 191 13.870 -8.540 1.995 1.00 0.00 N ATOM 476 CA ILE A 191 14.124 -9.492 3.092 1.00 0.00 C ATOM 477 C ILE A 191 14.281 -10.913 2.529 1.00 0.00 C ATOM 478 O ILE A 191 15.315 -11.555 2.716 1.00 0.00 O ATOM 479 CB ILE A 191 12.958 -9.419 4.115 1.00 0.00 C ATOM 480 CG1 ILE A 191 12.885 -8.011 4.761 1.00 0.00 C ATOM 481 CG2 ILE A 191 13.062 -10.526 5.192 1.00 0.00 C ATOM 482 CD1 ILE A 191 11.651 -7.803 5.665 1.00 0.00 C ATOM 0 H ILE A 191 13.051 -7.947 2.130 1.00 0.00 H new ATOM 0 HA ILE A 191 15.051 -9.230 3.602 1.00 0.00 H new ATOM 0 HB ILE A 191 12.031 -9.594 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 191 13.787 -7.844 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 191 12.876 -7.259 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 191 12.227 -10.438 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 191 13.033 -11.504 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 191 14.000 -10.417 5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 191 11.670 -6.795 6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 191 10.743 -7.936 5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 191 11.668 -8.530 6.477 1.00 0.00 H new ATOM 494 N GLY A 192 13.263 -11.400 1.814 1.00 0.00 N ATOM 495 CA GLY A 192 13.325 -12.727 1.175 1.00 0.00 C ATOM 496 C GLY A 192 13.962 -12.675 -0.221 1.00 0.00 C ATOM 497 O GLY A 192 13.393 -13.175 -1.191 1.00 0.00 O ATOM 0 H GLY A 192 12.387 -10.901 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 192 13.897 -13.405 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 192 12.318 -13.137 1.097 1.00 0.00 H new ATOM 667 N THR A 205 21.732 -17.881 14.270 1.00 0.00 N ATOM 668 CA THR A 205 20.600 -18.125 15.181 1.00 0.00 C ATOM 669 C THR A 205 20.505 -19.603 15.574 1.00 0.00 C ATOM 670 O THR A 205 20.416 -19.931 16.753 1.00 0.00 O ATOM 671 CB THR A 205 19.290 -17.680 14.482 1.00 0.00 C ATOM 672 OG1 THR A 205 19.386 -16.298 14.128 1.00 0.00 O ATOM 673 CG2 THR A 205 18.035 -17.874 15.362 1.00 0.00 C ATOM 0 HA THR A 205 20.756 -17.550 16.094 1.00 0.00 H new ATOM 0 HB THR A 205 19.176 -18.311 13.601 1.00 0.00 H new ATOM 0 HG1 THR A 205 20.328 -16.057 14.002 1.00 0.00 H new ATOM 0 HG21 THR A 205 17.152 -17.544 14.815 1.00 0.00 H new ATOM 0 HG22 THR A 205 17.930 -18.928 15.618 1.00 0.00 H new ATOM 0 HG23 THR A 205 18.137 -17.287 16.275 1.00 0.00 H new ATOM 681 N LEU A 206 20.510 -20.504 14.589 1.00 0.00 N ATOM 682 CA LEU A 206 20.461 -21.955 14.847 1.00 0.00 C ATOM 683 C LEU A 206 21.608 -22.418 15.754 1.00 0.00 C ATOM 684 O LEU A 206 21.384 -23.120 16.736 1.00 0.00 O ATOM 685 CB LEU A 206 20.512 -22.713 13.500 1.00 0.00 C ATOM 686 CG LEU A 206 20.464 -24.254 13.647 1.00 0.00 C ATOM 687 CD1 LEU A 206 19.176 -24.733 14.352 1.00 0.00 C ATOM 688 CD2 LEU A 206 20.638 -24.946 12.279 1.00 0.00 C ATOM 0 H LEU A 206 20.548 -20.258 13.600 1.00 0.00 H new ATOM 0 HA LEU A 206 19.529 -22.175 15.368 1.00 0.00 H new ATOM 0 HB2 LEU A 206 19.675 -22.390 12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 206 21.425 -22.436 12.972 1.00 0.00 H new ATOM 0 HG LEU A 206 21.301 -24.541 14.284 1.00 0.00 H new ATOM 0 HD11 LEU A 206 19.188 -25.820 14.432 1.00 0.00 H new ATOM 0 HD12 LEU A 206 19.123 -24.296 15.349 1.00 0.00 H new ATOM 0 HD13 LEU A 206 18.307 -24.421 13.773 1.00 0.00 H new ATOM 0 HD21 LEU A 206 20.600 -26.027 12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 206 19.837 -24.634 11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 206 21.600 -24.666 11.849 1.00 0.00 H new ATOM 700 N LEU A 207 22.847 -22.041 15.427 1.00 0.00 N ATOM 701 CA LEU A 207 24.024 -22.408 16.240 1.00 0.00 C ATOM 702 C LEU A 207 23.815 -21.998 17.705 1.00 0.00 C ATOM 703 O LEU A 207 23.921 -22.818 18.619 1.00 0.00 O ATOM 704 CB LEU A 207 25.264 -21.700 15.635 1.00 0.00 C ATOM 705 CG LEU A 207 26.653 -22.151 16.163 1.00 0.00 C ATOM 706 CD1 LEU A 207 26.911 -21.783 17.640 1.00 0.00 C ATOM 707 CD2 LEU A 207 26.886 -23.659 15.925 1.00 0.00 C ATOM 0 H LEU A 207 23.068 -21.480 14.604 1.00 0.00 H new ATOM 0 HA LEU A 207 24.172 -23.488 16.225 1.00 0.00 H new ATOM 0 HB2 LEU A 207 25.247 -21.847 14.555 1.00 0.00 H new ATOM 0 HB3 LEU A 207 25.164 -20.629 15.812 1.00 0.00 H new ATOM 0 HG LEU A 207 27.380 -21.586 15.580 1.00 0.00 H new ATOM 0 HD11 LEU A 207 27.901 -22.131 17.934 1.00 0.00 H new ATOM 0 HD12 LEU A 207 26.857 -20.701 17.760 1.00 0.00 H new ATOM 0 HD13 LEU A 207 26.158 -22.256 18.270 1.00 0.00 H new ATOM 0 HD21 LEU A 207 27.868 -23.940 16.307 1.00 0.00 H new ATOM 0 HD22 LEU A 207 26.117 -24.232 16.443 1.00 0.00 H new ATOM 0 HD23 LEU A 207 26.838 -23.870 14.857 1.00 0.00 H new ATOM 719 N PHE A 208 23.491 -20.723 17.930 1.00 0.00 N ATOM 720 CA PHE A 208 23.219 -20.205 19.283 1.00 0.00 C ATOM 721 C PHE A 208 22.121 -21.028 19.973 1.00 0.00 C ATOM 722 O PHE A 208 22.272 -21.442 21.118 1.00 0.00 O ATOM 723 CB PHE A 208 22.772 -18.725 19.169 1.00 0.00 C ATOM 724 CG PHE A 208 22.628 -17.987 20.445 1.00 0.00 C ATOM 725 CD1 PHE A 208 23.086 -18.510 21.661 1.00 0.00 C ATOM 726 CD2 PHE A 208 22.072 -16.703 20.417 1.00 0.00 C ATOM 727 CE1 PHE A 208 22.978 -17.761 22.836 1.00 0.00 C ATOM 728 CE2 PHE A 208 21.968 -15.954 21.591 1.00 0.00 C ATOM 729 CZ PHE A 208 22.420 -16.482 22.801 1.00 0.00 C ATOM 0 H PHE A 208 23.409 -20.023 17.192 1.00 0.00 H new ATOM 0 HA PHE A 208 24.126 -20.280 19.883 1.00 0.00 H new ATOM 0 HB2 PHE A 208 23.493 -18.196 18.546 1.00 0.00 H new ATOM 0 HB3 PHE A 208 21.816 -18.695 18.646 1.00 0.00 H new ATOM 0 HD1 PHE A 208 23.525 -19.496 21.691 1.00 0.00 H new ATOM 0 HD2 PHE A 208 21.722 -16.289 19.483 1.00 0.00 H new ATOM 0 HE1 PHE A 208 23.327 -18.172 23.772 1.00 0.00 H new ATOM 0 HE2 PHE A 208 21.537 -14.964 21.562 1.00 0.00 H new ATOM 0 HZ PHE A 208 22.338 -15.902 23.709 1.00 0.00 H new ATOM 739 N MET A 209 21.006 -21.271 19.281 1.00 0.00 N ATOM 740 CA MET A 209 19.896 -22.081 19.816 1.00 0.00 C ATOM 741 C MET A 209 20.378 -23.446 20.325 1.00 0.00 C ATOM 742 O MET A 209 20.049 -23.843 21.440 1.00 0.00 O ATOM 743 CB MET A 209 18.831 -22.265 18.711 1.00 0.00 C ATOM 744 CG MET A 209 17.570 -23.004 19.198 1.00 0.00 C ATOM 745 SD MET A 209 16.314 -23.117 17.901 1.00 0.00 S ATOM 746 CE MET A 209 15.012 -23.979 18.817 1.00 0.00 C ATOM 0 H MET A 209 20.842 -20.917 18.339 1.00 0.00 H new ATOM 0 HA MET A 209 19.464 -21.556 20.668 1.00 0.00 H new ATOM 0 HB2 MET A 209 18.544 -21.287 18.326 1.00 0.00 H new ATOM 0 HB3 MET A 209 19.270 -22.818 17.881 1.00 0.00 H new ATOM 0 HG2 MET A 209 17.841 -24.006 19.529 1.00 0.00 H new ATOM 0 HG3 MET A 209 17.155 -22.484 20.062 1.00 0.00 H new ATOM 0 HE1 MET A 209 14.152 -24.135 18.166 1.00 0.00 H new ATOM 0 HE2 MET A 209 15.386 -24.943 19.161 1.00 0.00 H new ATOM 0 HE3 MET A 209 14.713 -23.379 19.676 1.00 0.00 H new ATOM 756 N VAL A 210 21.149 -24.182 19.521 1.00 0.00 N ATOM 757 CA VAL A 210 21.730 -25.468 19.958 1.00 0.00 C ATOM 758 C VAL A 210 22.500 -25.312 21.279 1.00 0.00 C ATOM 759 O VAL A 210 22.285 -26.069 22.227 1.00 0.00 O ATOM 760 CB VAL A 210 22.650 -26.040 18.846 1.00 0.00 C ATOM 761 CG1 VAL A 210 23.392 -27.320 19.294 1.00 0.00 C ATOM 762 CG2 VAL A 210 21.855 -26.333 17.555 1.00 0.00 C ATOM 0 H VAL A 210 21.389 -23.917 18.566 1.00 0.00 H new ATOM 0 HA VAL A 210 20.915 -26.170 20.136 1.00 0.00 H new ATOM 0 HB VAL A 210 23.394 -25.270 18.644 1.00 0.00 H new ATOM 0 HG11 VAL A 210 24.022 -27.679 18.480 1.00 0.00 H new ATOM 0 HG12 VAL A 210 24.013 -27.096 20.161 1.00 0.00 H new ATOM 0 HG13 VAL A 210 22.665 -28.089 19.557 1.00 0.00 H new ATOM 0 HG21 VAL A 210 22.528 -26.732 16.796 1.00 0.00 H new ATOM 0 HG22 VAL A 210 21.073 -27.062 17.767 1.00 0.00 H new ATOM 0 HG23 VAL A 210 21.402 -25.411 17.190 1.00 0.00 H new ATOM 772 N LEU A 211 23.403 -24.329 21.351 1.00 0.00 N ATOM 773 CA LEU A 211 24.156 -24.048 22.590 1.00 0.00 C ATOM 774 C LEU A 211 23.229 -23.819 23.793 1.00 0.00 C ATOM 775 O LEU A 211 23.411 -24.412 24.855 1.00 0.00 O ATOM 776 CB LEU A 211 25.044 -22.799 22.396 1.00 0.00 C ATOM 777 CG LEU A 211 26.127 -22.956 21.304 1.00 0.00 C ATOM 778 CD1 LEU A 211 26.904 -21.636 21.118 1.00 0.00 C ATOM 779 CD2 LEU A 211 27.093 -24.123 21.607 1.00 0.00 C ATOM 0 H LEU A 211 23.634 -23.713 20.572 1.00 0.00 H new ATOM 0 HA LEU A 211 24.771 -24.924 22.797 1.00 0.00 H new ATOM 0 HB2 LEU A 211 24.408 -21.951 22.142 1.00 0.00 H new ATOM 0 HB3 LEU A 211 25.530 -22.562 23.342 1.00 0.00 H new ATOM 0 HG LEU A 211 25.616 -23.197 20.372 1.00 0.00 H new ATOM 0 HD11 LEU A 211 27.662 -21.766 20.345 1.00 0.00 H new ATOM 0 HD12 LEU A 211 26.214 -20.846 20.820 1.00 0.00 H new ATOM 0 HD13 LEU A 211 27.386 -21.362 22.057 1.00 0.00 H new ATOM 0 HD21 LEU A 211 27.836 -24.195 20.813 1.00 0.00 H new ATOM 0 HD22 LEU A 211 27.594 -23.943 22.558 1.00 0.00 H new ATOM 0 HD23 LEU A 211 26.531 -25.055 21.664 1.00 0.00 H new ATOM 791 N ASP A 212 22.234 -22.945 23.633 1.00 0.00 N ATOM 792 CA ASP A 212 21.244 -22.655 24.686 1.00 0.00 C ATOM 793 C ASP A 212 20.568 -23.936 25.187 1.00 0.00 C ATOM 794 O ASP A 212 20.566 -24.218 26.383 1.00 0.00 O ATOM 795 CB ASP A 212 20.188 -21.675 24.119 1.00 0.00 C ATOM 796 CG ASP A 212 19.143 -21.307 25.184 1.00 0.00 C ATOM 797 OD1 ASP A 212 18.256 -22.117 25.455 1.00 0.00 O ATOM 798 OD2 ASP A 212 19.233 -20.213 25.738 1.00 0.00 O ATOM 0 H ASP A 212 22.087 -22.416 22.773 1.00 0.00 H new ATOM 0 HA ASP A 212 21.754 -22.204 25.537 1.00 0.00 H new ATOM 0 HB2 ASP A 212 20.682 -20.771 23.762 1.00 0.00 H new ATOM 0 HB3 ASP A 212 19.692 -22.127 23.260 1.00 0.00 H new ATOM 803 N VAL A 213 19.997 -24.724 24.274 1.00 0.00 N ATOM 804 CA VAL A 213 19.319 -25.983 24.632 1.00 0.00 C ATOM 805 C VAL A 213 20.244 -26.914 25.427 1.00 0.00 C ATOM 806 O VAL A 213 19.900 -27.331 26.530 1.00 0.00 O ATOM 807 CB VAL A 213 18.799 -26.682 23.348 1.00 0.00 C ATOM 808 CG1 VAL A 213 18.204 -28.079 23.638 1.00 0.00 C ATOM 809 CG2 VAL A 213 17.742 -25.816 22.627 1.00 0.00 C ATOM 0 H VAL A 213 19.988 -24.516 23.275 1.00 0.00 H new ATOM 0 HA VAL A 213 18.471 -25.746 25.275 1.00 0.00 H new ATOM 0 HB VAL A 213 19.666 -26.809 22.700 1.00 0.00 H new ATOM 0 HG11 VAL A 213 17.854 -28.526 22.707 1.00 0.00 H new ATOM 0 HG12 VAL A 213 18.970 -28.716 24.081 1.00 0.00 H new ATOM 0 HG13 VAL A 213 17.368 -27.982 24.330 1.00 0.00 H new ATOM 0 HG21 VAL A 213 17.397 -26.333 21.731 1.00 0.00 H new ATOM 0 HG22 VAL A 213 16.897 -25.643 23.294 1.00 0.00 H new ATOM 0 HG23 VAL A 213 18.185 -24.860 22.346 1.00 0.00 H new ATOM 819 N SER A 214 21.424 -27.239 24.893 1.00 0.00 N ATOM 820 CA SER A 214 22.368 -28.138 25.590 1.00 0.00 C ATOM 821 C SER A 214 22.719 -27.635 27.000 1.00 0.00 C ATOM 822 O SER A 214 22.689 -28.397 27.967 1.00 0.00 O ATOM 823 CB SER A 214 23.644 -28.344 24.741 1.00 0.00 C ATOM 824 OG SER A 214 24.181 -27.085 24.322 1.00 0.00 O ATOM 0 H SER A 214 21.753 -26.900 23.989 1.00 0.00 H new ATOM 0 HA SER A 214 21.871 -29.100 25.714 1.00 0.00 H new ATOM 0 HB2 SER A 214 24.389 -28.888 25.321 1.00 0.00 H new ATOM 0 HB3 SER A 214 23.412 -28.955 23.868 1.00 0.00 H new ATOM 0 HG SER A 214 23.660 -26.742 23.566 1.00 0.00 H new ATOM 830 N ALA A 215 23.056 -26.350 27.125 1.00 0.00 N ATOM 831 CA ALA A 215 23.335 -25.732 28.434 1.00 0.00 C ATOM 832 C ALA A 215 22.161 -25.901 29.408 1.00 0.00 C ATOM 833 O ALA A 215 22.341 -26.314 30.552 1.00 0.00 O ATOM 834 CB ALA A 215 23.607 -24.227 28.231 1.00 0.00 C ATOM 0 H ALA A 215 23.144 -25.710 26.335 1.00 0.00 H new ATOM 0 HA ALA A 215 24.204 -26.230 28.864 1.00 0.00 H new ATOM 0 HB1 ALA A 215 23.814 -23.762 29.195 1.00 0.00 H new ATOM 0 HB2 ALA A 215 24.467 -24.098 27.573 1.00 0.00 H new ATOM 0 HB3 ALA A 215 22.732 -23.757 27.782 1.00 0.00 H new ATOM 840 N LYS A 216 20.950 -25.568 28.959 1.00 0.00 N ATOM 841 CA LYS A 216 19.733 -25.688 29.781 1.00 0.00 C ATOM 842 C LYS A 216 19.500 -27.126 30.264 1.00 0.00 C ATOM 843 O LYS A 216 19.118 -27.344 31.411 1.00 0.00 O ATOM 844 CB LYS A 216 18.525 -25.187 28.956 1.00 0.00 C ATOM 845 CG LYS A 216 17.153 -25.191 29.677 1.00 0.00 C ATOM 846 CD LYS A 216 17.009 -24.214 30.872 1.00 0.00 C ATOM 847 CE LYS A 216 17.663 -24.694 32.189 1.00 0.00 C ATOM 848 NZ LYS A 216 17.362 -23.743 33.269 1.00 0.00 N ATOM 0 H LYS A 216 20.780 -25.208 28.020 1.00 0.00 H new ATOM 0 HA LYS A 216 19.856 -25.076 30.675 1.00 0.00 H new ATOM 0 HB2 LYS A 216 18.735 -24.170 28.625 1.00 0.00 H new ATOM 0 HB3 LYS A 216 18.443 -25.803 28.061 1.00 0.00 H new ATOM 0 HG2 LYS A 216 16.380 -24.955 28.946 1.00 0.00 H new ATOM 0 HG3 LYS A 216 16.956 -26.202 30.034 1.00 0.00 H new ATOM 0 HD2 LYS A 216 17.448 -23.256 30.594 1.00 0.00 H new ATOM 0 HD3 LYS A 216 15.949 -24.038 31.053 1.00 0.00 H new ATOM 0 HE2 LYS A 216 17.292 -25.685 32.450 1.00 0.00 H new ATOM 0 HE3 LYS A 216 18.742 -24.782 32.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 17.845 -24.042 34.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 17.692 -22.795 32.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 16.335 -23.718 33.434 1.00 0.00 H new ATOM 862 N VAL A 217 19.687 -28.118 29.391 1.00 0.00 N ATOM 863 CA VAL A 217 19.628 -29.536 29.800 1.00 0.00 C ATOM 864 C VAL A 217 20.605 -29.808 30.953 1.00 0.00 C ATOM 865 O VAL A 217 20.211 -30.319 32.001 1.00 0.00 O ATOM 866 CB VAL A 217 19.937 -30.458 28.589 1.00 0.00 C ATOM 867 CG1 VAL A 217 20.048 -31.946 28.995 1.00 0.00 C ATOM 868 CG2 VAL A 217 18.875 -30.311 27.478 1.00 0.00 C ATOM 0 H VAL A 217 19.880 -27.974 28.400 1.00 0.00 H new ATOM 0 HA VAL A 217 18.620 -29.754 30.152 1.00 0.00 H new ATOM 0 HB VAL A 217 20.904 -30.133 28.206 1.00 0.00 H new ATOM 0 HG11 VAL A 217 20.265 -32.549 28.113 1.00 0.00 H new ATOM 0 HG12 VAL A 217 20.851 -32.066 29.723 1.00 0.00 H new ATOM 0 HG13 VAL A 217 19.107 -32.274 29.436 1.00 0.00 H new ATOM 0 HG21 VAL A 217 19.124 -30.971 26.647 1.00 0.00 H new ATOM 0 HG22 VAL A 217 17.895 -30.579 27.873 1.00 0.00 H new ATOM 0 HG23 VAL A 217 18.855 -29.279 27.128 1.00 0.00 H new ATOM 878 N GLY A 218 21.883 -29.460 30.773 1.00 0.00 N ATOM 879 CA GLY A 218 22.903 -29.631 31.828 1.00 0.00 C ATOM 880 C GLY A 218 22.450 -29.026 33.163 1.00 0.00 C ATOM 881 O GLY A 218 22.503 -29.672 34.208 1.00 0.00 O ATOM 0 H GLY A 218 22.242 -29.057 29.908 1.00 0.00 H new ATOM 0 HA2 GLY A 218 23.112 -30.692 31.962 1.00 0.00 H new ATOM 0 HA3 GLY A 218 23.834 -29.160 31.513 1.00 0.00 H new ATOM 885 N PHE A 219 22.000 -27.770 33.123 1.00 0.00 N ATOM 886 CA PHE A 219 21.417 -27.084 34.292 1.00 0.00 C ATOM 887 C PHE A 219 20.331 -27.945 34.949 1.00 0.00 C ATOM 888 O PHE A 219 20.335 -28.140 36.162 1.00 0.00 O ATOM 889 CB PHE A 219 20.824 -25.739 33.796 1.00 0.00 C ATOM 890 CG PHE A 219 20.210 -24.876 34.827 1.00 0.00 C ATOM 891 CD1 PHE A 219 19.074 -25.288 35.533 1.00 0.00 C ATOM 892 CD2 PHE A 219 20.731 -23.598 35.050 1.00 0.00 C ATOM 893 CE1 PHE A 219 18.465 -24.431 36.452 1.00 0.00 C ATOM 894 CE2 PHE A 219 20.119 -22.737 35.964 1.00 0.00 C ATOM 895 CZ PHE A 219 18.986 -23.153 36.665 1.00 0.00 C ATOM 0 H PHE A 219 22.027 -27.194 32.281 1.00 0.00 H new ATOM 0 HA PHE A 219 22.184 -26.908 35.046 1.00 0.00 H new ATOM 0 HB2 PHE A 219 21.617 -25.175 33.306 1.00 0.00 H new ATOM 0 HB3 PHE A 219 20.071 -25.955 33.038 1.00 0.00 H new ATOM 0 HD1 PHE A 219 18.666 -26.274 35.366 1.00 0.00 H new ATOM 0 HD2 PHE A 219 21.611 -23.275 34.513 1.00 0.00 H new ATOM 0 HE1 PHE A 219 17.592 -24.756 36.998 1.00 0.00 H new ATOM 0 HE2 PHE A 219 20.523 -21.749 36.128 1.00 0.00 H new ATOM 0 HZ PHE A 219 18.513 -22.487 37.371 1.00 0.00 H new ATOM 905 N GLY A 220 19.379 -28.441 34.156 1.00 0.00 N ATOM 906 CA GLY A 220 18.307 -29.327 34.652 1.00 0.00 C ATOM 907 C GLY A 220 18.849 -30.506 35.466 1.00 0.00 C ATOM 908 O GLY A 220 18.394 -30.758 36.581 1.00 0.00 O ATOM 0 H GLY A 220 19.323 -28.245 33.156 1.00 0.00 H new ATOM 0 HA2 GLY A 220 17.619 -28.749 35.269 1.00 0.00 H new ATOM 0 HA3 GLY A 220 17.734 -29.707 33.806 1.00 0.00 H new ATOM 912 N LEU A 221 19.814 -31.244 34.910 1.00 0.00 N ATOM 913 CA LEU A 221 20.459 -32.356 35.639 1.00 0.00 C ATOM 914 C LEU A 221 21.045 -31.896 36.980 1.00 0.00 C ATOM 915 O LEU A 221 20.760 -32.485 38.021 1.00 0.00 O ATOM 916 CB LEU A 221 21.579 -33.014 34.794 1.00 0.00 C ATOM 917 CG LEU A 221 21.106 -33.980 33.678 1.00 0.00 C ATOM 918 CD1 LEU A 221 20.305 -35.177 34.234 1.00 0.00 C ATOM 919 CD2 LEU A 221 20.345 -33.272 32.541 1.00 0.00 C ATOM 0 H LEU A 221 20.169 -31.099 33.965 1.00 0.00 H new ATOM 0 HA LEU A 221 19.677 -33.091 35.831 1.00 0.00 H new ATOM 0 HB2 LEU A 221 22.174 -32.224 34.336 1.00 0.00 H new ATOM 0 HB3 LEU A 221 22.240 -33.562 35.466 1.00 0.00 H new ATOM 0 HG LEU A 221 22.020 -34.377 33.236 1.00 0.00 H new ATOM 0 HD11 LEU A 221 19.997 -35.823 33.411 1.00 0.00 H new ATOM 0 HD12 LEU A 221 20.929 -35.743 34.925 1.00 0.00 H new ATOM 0 HD13 LEU A 221 19.422 -34.812 34.758 1.00 0.00 H new ATOM 0 HD21 LEU A 221 20.043 -34.006 31.794 1.00 0.00 H new ATOM 0 HD22 LEU A 221 19.460 -32.781 32.946 1.00 0.00 H new ATOM 0 HD23 LEU A 221 20.993 -32.528 32.078 1.00 0.00 H new ATOM 931 N ILE A 222 21.868 -30.844 36.963 1.00 0.00 N ATOM 932 CA ILE A 222 22.496 -30.300 38.186 1.00 0.00 C ATOM 933 C ILE A 222 21.453 -29.953 39.260 1.00 0.00 C ATOM 934 O ILE A 222 21.614 -30.284 40.435 1.00 0.00 O ATOM 935 CB ILE A 222 23.321 -29.042 37.808 1.00 0.00 C ATOM 936 CG1 ILE A 222 24.457 -29.405 36.819 1.00 0.00 C ATOM 937 CG2 ILE A 222 23.883 -28.319 39.057 1.00 0.00 C ATOM 938 CD1 ILE A 222 25.169 -28.173 36.222 1.00 0.00 C ATOM 0 H ILE A 222 22.121 -30.343 36.111 1.00 0.00 H new ATOM 0 HA ILE A 222 23.148 -31.063 38.610 1.00 0.00 H new ATOM 0 HB ILE A 222 22.643 -28.347 37.313 1.00 0.00 H new ATOM 0 HG12 ILE A 222 25.191 -30.026 37.333 1.00 0.00 H new ATOM 0 HG13 ILE A 222 24.044 -30.005 36.008 1.00 0.00 H new ATOM 0 HG21 ILE A 222 24.454 -27.444 38.745 1.00 0.00 H new ATOM 0 HG22 ILE A 222 23.059 -28.005 39.697 1.00 0.00 H new ATOM 0 HG23 ILE A 222 24.533 -28.998 39.609 1.00 0.00 H new ATOM 0 HD11 ILE A 222 25.952 -28.501 35.539 1.00 0.00 H new ATOM 0 HD12 ILE A 222 24.447 -27.563 35.680 1.00 0.00 H new ATOM 0 HD13 ILE A 222 25.611 -27.584 37.025 1.00 0.00 H new ATOM 950 N LEU A 223 20.388 -29.255 38.867 1.00 0.00 N ATOM 951 CA LEU A 223 19.275 -28.938 39.777 1.00 0.00 C ATOM 952 C LEU A 223 18.734 -30.229 40.403 1.00 0.00 C ATOM 953 O LEU A 223 18.674 -30.354 41.627 1.00 0.00 O ATOM 954 CB LEU A 223 18.162 -28.228 38.971 1.00 0.00 C ATOM 955 CG LEU A 223 17.024 -27.650 39.844 1.00 0.00 C ATOM 956 CD1 LEU A 223 17.507 -26.467 40.711 1.00 0.00 C ATOM 957 CD2 LEU A 223 15.812 -27.249 38.979 1.00 0.00 C ATOM 0 H LEU A 223 20.267 -28.894 37.921 1.00 0.00 H new ATOM 0 HA LEU A 223 19.621 -28.283 40.577 1.00 0.00 H new ATOM 0 HB2 LEU A 223 18.607 -27.420 38.391 1.00 0.00 H new ATOM 0 HB3 LEU A 223 17.736 -28.935 38.259 1.00 0.00 H new ATOM 0 HG LEU A 223 16.706 -28.439 40.526 1.00 0.00 H new ATOM 0 HD11 LEU A 223 16.677 -26.091 41.308 1.00 0.00 H new ATOM 0 HD12 LEU A 223 18.307 -26.803 41.372 1.00 0.00 H new ATOM 0 HD13 LEU A 223 17.879 -25.671 40.066 1.00 0.00 H new ATOM 0 HD21 LEU A 223 15.026 -26.846 39.618 1.00 0.00 H new ATOM 0 HD22 LEU A 223 16.116 -26.492 38.256 1.00 0.00 H new ATOM 0 HD23 LEU A 223 15.436 -28.125 38.451 1.00 0.00 H new