USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 83:sc= 0.72 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0849 USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.0143 (180deg=-0.176) USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 81:sc= 0.526 USER MOD Single : B 127 TYR OH : rot 180:sc= -0.403 USER MOD Single : B 131 LYS NZ :NH3+ -162:sc=-0.00795 (180deg=-0.201) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 10 12.372 8.279 -7.314 1.00 0.00 N ATOM 137 CA ILE A 10 13.059 9.527 -7.624 1.00 0.00 C ATOM 138 C ILE A 10 12.709 10.015 -9.026 1.00 0.00 C ATOM 139 O ILE A 10 12.219 11.128 -9.218 1.00 0.00 O ATOM 140 CB ILE A 10 14.588 9.369 -7.515 1.00 0.00 C ATOM 141 CG1 ILE A 10 15.049 9.642 -6.082 1.00 0.00 C ATOM 142 CG2 ILE A 10 15.287 10.305 -8.491 1.00 0.00 C ATOM 143 CD1 ILE A 10 16.286 8.867 -5.688 1.00 0.00 C ATOM 0 HA ILE A 10 12.724 10.262 -6.892 1.00 0.00 H new ATOM 0 HB ILE A 10 14.853 8.344 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.247 10.708 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.240 9.393 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.366 10.182 -8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.977 10.067 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.019 11.336 -8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 10 16.555 9.110 -4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 10 16.087 7.798 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 10 17.109 9.133 -6.351 1.00 0.00 H new ATOM 155 N PRO A 11 12.961 9.162 -10.029 1.00 0.00 N ATOM 156 CA PRO A 11 12.677 9.483 -11.431 1.00 0.00 C ATOM 157 C PRO A 11 11.182 9.536 -11.723 1.00 0.00 C ATOM 158 O PRO A 11 10.734 10.283 -12.593 1.00 0.00 O ATOM 159 CB PRO A 11 13.331 8.331 -12.198 1.00 0.00 C ATOM 160 CG PRO A 11 13.358 7.199 -11.231 1.00 0.00 C ATOM 161 CD PRO A 11 13.543 7.818 -9.873 1.00 0.00 C ATOM 0 HA PRO A 11 13.055 10.467 -11.708 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.760 8.075 -13.091 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.336 8.595 -12.527 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.432 6.626 -11.276 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.171 6.510 -11.460 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.033 7.246 -9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.595 7.866 -9.593 1.00 0.00 H new ATOM 169 N VAL A 12 10.412 8.738 -10.989 1.00 0.00 N ATOM 170 CA VAL A 12 8.966 8.695 -11.168 1.00 0.00 C ATOM 171 C VAL A 12 8.355 10.087 -11.044 1.00 0.00 C ATOM 172 O VAL A 12 7.779 10.611 -11.999 1.00 0.00 O ATOM 173 CB VAL A 12 8.300 7.762 -10.139 1.00 0.00 C ATOM 174 CG1 VAL A 12 6.789 7.776 -10.304 1.00 0.00 C ATOM 175 CG2 VAL A 12 8.845 6.348 -10.272 1.00 0.00 C ATOM 0 H VAL A 12 10.766 8.113 -10.265 1.00 0.00 H new ATOM 0 HA VAL A 12 8.783 8.308 -12.171 1.00 0.00 H new ATOM 0 HB VAL A 12 8.535 8.126 -9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.336 7.111 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.416 8.789 -10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.529 7.438 -11.307 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.364 5.702 -9.538 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.641 5.972 -11.275 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.921 6.355 -10.099 1.00 0.00 H new ATOM 185 N TYR A 13 8.485 10.681 -9.864 1.00 0.00 N ATOM 186 CA TYR A 13 7.945 12.012 -9.615 1.00 0.00 C ATOM 187 C TYR A 13 8.735 13.072 -10.375 1.00 0.00 C ATOM 188 O TYR A 13 8.164 14.017 -10.919 1.00 0.00 O ATOM 189 CB TYR A 13 7.965 12.322 -8.117 1.00 0.00 C ATOM 190 CG TYR A 13 7.560 11.150 -7.251 1.00 0.00 C ATOM 191 CD1 TYR A 13 6.650 10.204 -7.708 1.00 0.00 C ATOM 192 CD2 TYR A 13 8.089 10.988 -5.977 1.00 0.00 C ATOM 193 CE1 TYR A 13 6.277 9.133 -6.920 1.00 0.00 C ATOM 194 CE2 TYR A 13 7.722 9.918 -5.182 1.00 0.00 C ATOM 195 CZ TYR A 13 6.816 8.994 -5.658 1.00 0.00 C ATOM 196 OH TYR A 13 6.448 7.928 -4.871 1.00 0.00 O ATOM 0 H TYR A 13 8.960 10.262 -9.064 1.00 0.00 H new ATOM 0 HA TYR A 13 6.914 12.029 -9.969 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.968 12.643 -7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.295 13.158 -7.919 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.227 10.308 -8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.799 11.710 -5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.567 8.408 -7.290 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.143 9.807 -4.194 1.00 0.00 H new ATOM 0 HH TYR A 13 6.919 7.977 -4.013 1.00 0.00 H new ATOM 206 N ALA A 14 10.054 12.908 -10.409 1.00 0.00 N ATOM 207 CA ALA A 14 10.924 13.848 -11.103 1.00 0.00 C ATOM 208 C ALA A 14 10.488 14.030 -12.554 1.00 0.00 C ATOM 209 O ALA A 14 10.286 15.153 -13.015 1.00 0.00 O ATOM 210 CB ALA A 14 12.369 13.376 -11.040 1.00 0.00 C ATOM 0 H ALA A 14 10.543 12.132 -9.963 1.00 0.00 H new ATOM 0 HA ALA A 14 10.847 14.813 -10.603 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.008 14.088 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.683 13.303 -9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.453 12.398 -11.513 1.00 0.00 H new ATOM 216 N SER A 15 10.345 12.918 -13.268 1.00 0.00 N ATOM 217 CA SER A 15 9.939 12.955 -14.667 1.00 0.00 C ATOM 218 C SER A 15 8.539 13.545 -14.811 1.00 0.00 C ATOM 219 O SER A 15 8.332 14.506 -15.552 1.00 0.00 O ATOM 220 CB SER A 15 9.975 11.548 -15.269 1.00 0.00 C ATOM 221 OG SER A 15 11.286 11.013 -15.235 1.00 0.00 O ATOM 0 H SER A 15 10.505 11.980 -12.900 1.00 0.00 H new ATOM 0 HA SER A 15 10.641 13.591 -15.206 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.298 10.896 -14.717 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.618 11.580 -16.299 1.00 0.00 H new ATOM 0 HG SER A 15 11.459 10.628 -14.351 1.00 0.00 H new ATOM 227 N ILE A 16 7.582 12.963 -14.096 1.00 0.00 N ATOM 228 CA ILE A 16 6.202 13.431 -14.142 1.00 0.00 C ATOM 229 C ILE A 16 6.124 14.934 -13.900 1.00 0.00 C ATOM 230 O ILE A 16 5.398 15.649 -14.592 1.00 0.00 O ATOM 231 CB ILE A 16 5.327 12.709 -13.100 1.00 0.00 C ATOM 232 CG1 ILE A 16 5.242 11.215 -13.423 1.00 0.00 C ATOM 233 CG2 ILE A 16 3.938 13.327 -13.055 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.704 10.382 -12.281 1.00 0.00 C ATOM 0 H ILE A 16 7.737 12.167 -13.478 1.00 0.00 H new ATOM 0 HA ILE A 16 5.825 13.205 -15.140 1.00 0.00 H new ATOM 0 HB ILE A 16 5.786 12.824 -12.118 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.605 11.076 -14.296 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.234 10.852 -13.691 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.332 12.806 -12.314 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.017 14.380 -12.784 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.469 13.239 -14.035 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.671 9.334 -12.579 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.354 10.492 -11.413 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.699 10.719 -12.027 1.00 0.00 H new ATOM 246 N LEU A 17 6.877 15.410 -12.915 1.00 0.00 N ATOM 247 CA LEU A 17 6.896 16.830 -12.582 1.00 0.00 C ATOM 248 C LEU A 17 7.324 17.665 -13.784 1.00 0.00 C ATOM 249 O LEU A 17 6.683 18.660 -14.121 1.00 0.00 O ATOM 250 CB LEU A 17 7.839 17.087 -11.405 1.00 0.00 C ATOM 251 CG LEU A 17 7.175 17.272 -10.040 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.390 18.574 -10.002 1.00 0.00 C ATOM 253 CD2 LEU A 17 6.269 16.091 -9.723 1.00 0.00 C ATOM 0 H LEU A 17 7.483 14.833 -12.332 1.00 0.00 H new ATOM 0 HA LEU A 17 5.885 17.125 -12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.538 16.253 -11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.427 17.978 -11.624 1.00 0.00 H new ATOM 0 HG LEU A 17 7.955 17.319 -9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.924 18.690 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.064 19.411 -10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.618 18.556 -10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.805 16.240 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.494 16.012 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.858 15.174 -9.708 1.00 0.00 H new ATOM 265 N ALA A 18 8.412 17.254 -14.427 1.00 0.00 N ATOM 266 CA ALA A 18 8.924 17.961 -15.594 1.00 0.00 C ATOM 267 C ALA A 18 7.853 18.090 -16.672 1.00 0.00 C ATOM 268 O ALA A 18 7.591 19.181 -17.174 1.00 0.00 O ATOM 269 CB ALA A 18 10.149 17.250 -16.147 1.00 0.00 C ATOM 0 H ALA A 18 8.956 16.434 -14.159 1.00 0.00 H new ATOM 0 HA ALA A 18 9.211 18.965 -15.282 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.520 17.789 -17.018 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.926 17.216 -15.383 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.880 16.234 -16.437 1.00 0.00 H new ATOM 275 N ALA A 19 7.237 16.966 -17.023 1.00 0.00 N ATOM 276 CA ALA A 19 6.193 16.953 -18.041 1.00 0.00 C ATOM 277 C ALA A 19 5.119 17.993 -17.740 1.00 0.00 C ATOM 278 O ALA A 19 4.698 18.739 -18.625 1.00 0.00 O ATOM 279 CB ALA A 19 5.574 15.567 -18.144 1.00 0.00 C ATOM 0 H ALA A 19 7.443 16.053 -16.618 1.00 0.00 H new ATOM 0 HA ALA A 19 6.650 17.207 -18.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.796 15.572 -18.908 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.344 14.844 -18.414 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.138 15.291 -17.184 1.00 0.00 H new ATOM 285 N VAL A 20 4.680 18.038 -16.487 1.00 0.00 N ATOM 286 CA VAL A 20 3.656 18.988 -16.068 1.00 0.00 C ATOM 287 C VAL A 20 4.135 20.424 -16.241 1.00 0.00 C ATOM 288 O VAL A 20 3.551 21.198 -17.000 1.00 0.00 O ATOM 289 CB VAL A 20 3.252 18.766 -14.599 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.025 19.596 -14.252 1.00 0.00 C ATOM 291 CG2 VAL A 20 3.000 17.290 -14.332 1.00 0.00 C ATOM 0 H VAL A 20 5.018 17.427 -15.743 1.00 0.00 H new ATOM 0 HA VAL A 20 2.788 18.819 -16.705 1.00 0.00 H new ATOM 0 HB VAL A 20 4.074 19.091 -13.961 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.754 19.426 -13.210 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.246 20.653 -14.402 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.195 19.304 -14.895 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.716 17.152 -13.289 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.196 16.936 -14.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.908 16.723 -14.539 1.00 0.00 H new ATOM 301 N VAL A 21 5.204 20.775 -15.533 1.00 0.00 N ATOM 302 CA VAL A 21 5.764 22.119 -15.610 1.00 0.00 C ATOM 303 C VAL A 21 5.977 22.545 -17.058 1.00 0.00 C ATOM 304 O VAL A 21 5.563 23.631 -17.465 1.00 0.00 O ATOM 305 CB VAL A 21 7.104 22.212 -14.856 1.00 0.00 C ATOM 306 CG1 VAL A 21 7.660 23.627 -14.927 1.00 0.00 C ATOM 307 CG2 VAL A 21 6.935 21.769 -13.411 1.00 0.00 C ATOM 0 H VAL A 21 5.699 20.147 -14.900 1.00 0.00 H new ATOM 0 HA VAL A 21 5.044 22.789 -15.141 1.00 0.00 H new ATOM 0 HB VAL A 21 7.818 21.542 -15.336 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.607 23.673 -14.389 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.821 23.903 -15.969 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.951 24.320 -14.474 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.892 21.841 -12.894 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.206 22.411 -12.917 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.586 20.737 -13.385 1.00 0.00 H new ATOM 317 N VAL A 22 6.625 21.681 -17.833 1.00 0.00 N ATOM 318 CA VAL A 22 6.891 21.965 -19.238 1.00 0.00 C ATOM 319 C VAL A 22 5.594 22.144 -20.019 1.00 0.00 C ATOM 320 O VAL A 22 5.485 23.028 -20.867 1.00 0.00 O ATOM 321 CB VAL A 22 7.720 20.843 -19.891 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.954 21.140 -21.364 1.00 0.00 C ATOM 323 CG2 VAL A 22 9.042 20.662 -19.159 1.00 0.00 C ATOM 0 H VAL A 22 6.975 20.779 -17.511 1.00 0.00 H new ATOM 0 HA VAL A 22 7.461 22.893 -19.270 1.00 0.00 H new ATOM 0 HB VAL A 22 7.159 19.911 -19.817 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.541 20.336 -21.808 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.995 21.215 -21.877 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.494 22.082 -21.464 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.615 19.865 -19.634 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.610 21.591 -19.199 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.849 20.400 -18.119 1.00 0.00 H new ATOM 333 N GLY A 23 4.611 21.298 -19.725 1.00 0.00 N ATOM 334 CA GLY A 23 3.334 21.380 -20.407 1.00 0.00 C ATOM 335 C GLY A 23 2.645 22.713 -20.194 1.00 0.00 C ATOM 336 O GLY A 23 2.045 23.266 -21.117 1.00 0.00 O ATOM 0 H GLY A 23 4.677 20.558 -19.027 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.485 21.220 -21.474 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.685 20.579 -20.053 1.00 0.00 H new ATOM 340 N LEU A 24 2.730 23.233 -18.974 1.00 0.00 N ATOM 341 CA LEU A 24 2.110 24.510 -18.641 1.00 0.00 C ATOM 342 C LEU A 24 2.872 25.668 -19.278 1.00 0.00 C ATOM 343 O LEU A 24 2.287 26.504 -19.968 1.00 0.00 O ATOM 344 CB LEU A 24 2.057 24.694 -17.123 1.00 0.00 C ATOM 345 CG LEU A 24 0.666 24.640 -16.489 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.705 23.867 -15.180 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.127 26.046 -16.264 1.00 0.00 C ATOM 0 H LEU A 24 3.223 22.789 -18.199 1.00 0.00 H new ATOM 0 HA LEU A 24 1.094 24.506 -19.036 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.675 23.924 -16.662 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.509 25.655 -16.877 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.004 24.121 -17.174 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.294 23.839 -14.744 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.047 22.849 -15.368 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.390 24.357 -14.488 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.863 25.988 -15.812 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.798 26.591 -15.599 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.060 26.567 -17.219 1.00 0.00 H new ATOM 359 N VAL A 25 4.179 25.710 -19.043 1.00 0.00 N ATOM 360 CA VAL A 25 5.022 26.763 -19.597 1.00 0.00 C ATOM 361 C VAL A 25 4.977 26.759 -21.121 1.00 0.00 C ATOM 362 O VAL A 25 4.663 27.771 -21.746 1.00 0.00 O ATOM 363 CB VAL A 25 6.484 26.612 -19.137 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.350 27.707 -19.741 1.00 0.00 C ATOM 365 CG2 VAL A 25 6.568 26.630 -17.618 1.00 0.00 C ATOM 0 H VAL A 25 4.678 25.027 -18.473 1.00 0.00 H new ATOM 0 HA VAL A 25 4.629 27.710 -19.228 1.00 0.00 H new ATOM 0 HB VAL A 25 6.860 25.651 -19.488 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.379 27.584 -19.405 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.313 27.642 -20.828 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.979 28.681 -19.423 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.608 26.522 -17.310 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.174 27.575 -17.243 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.982 25.806 -17.211 1.00 0.00 H new ATOM 375 N ALA A 26 5.293 25.612 -21.713 1.00 0.00 N ATOM 376 CA ALA A 26 5.285 25.474 -23.164 1.00 0.00 C ATOM 377 C ALA A 26 3.946 25.906 -23.751 1.00 0.00 C ATOM 378 O ALA A 26 3.886 26.811 -24.585 1.00 0.00 O ATOM 379 CB ALA A 26 5.599 24.039 -23.561 1.00 0.00 C ATOM 0 H ALA A 26 5.558 24.765 -21.210 1.00 0.00 H new ATOM 0 HA ALA A 26 6.057 26.128 -23.569 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.589 23.952 -24.647 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.584 23.764 -23.184 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.849 23.372 -23.137 1.00 0.00 H new ATOM 385 N TYR A 27 2.875 25.256 -23.311 1.00 0.00 N ATOM 386 CA TYR A 27 1.537 25.571 -23.794 1.00 0.00 C ATOM 387 C TYR A 27 1.285 27.076 -23.759 1.00 0.00 C ATOM 388 O TYR A 27 1.152 27.718 -24.801 1.00 0.00 O ATOM 389 CB TYR A 27 0.484 24.847 -22.953 1.00 0.00 C ATOM 390 CG TYR A 27 -0.917 24.959 -23.510 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.222 24.490 -24.782 1.00 0.00 C ATOM 392 CD2 TYR A 27 -1.938 25.535 -22.763 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.500 24.592 -25.294 1.00 0.00 C ATOM 394 CE2 TYR A 27 -3.220 25.639 -23.266 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.496 25.167 -24.532 1.00 0.00 C ATOM 396 OH TYR A 27 -4.771 25.268 -25.038 1.00 0.00 O ATOM 0 H TYR A 27 2.908 24.507 -22.620 1.00 0.00 H new ATOM 0 HA TYR A 27 1.463 25.232 -24.827 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.753 23.793 -22.878 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.497 25.253 -21.941 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.445 24.038 -25.381 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.725 25.908 -21.772 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.719 24.224 -26.285 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.002 26.087 -22.671 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.353 25.696 -24.376 1.00 0.00 H new ATOM 406 N ILE A 28 1.222 27.630 -22.554 1.00 0.00 N ATOM 407 CA ILE A 28 0.988 29.058 -22.381 1.00 0.00 C ATOM 408 C ILE A 28 1.937 29.879 -23.248 1.00 0.00 C ATOM 409 O ILE A 28 1.504 30.719 -24.037 1.00 0.00 O ATOM 410 CB ILE A 28 1.156 29.484 -20.911 1.00 0.00 C ATOM 411 CG1 ILE A 28 0.136 28.761 -20.028 1.00 0.00 C ATOM 412 CG2 ILE A 28 1.009 30.992 -20.775 1.00 0.00 C ATOM 413 CD1 ILE A 28 0.644 28.467 -18.635 1.00 0.00 C ATOM 0 H ILE A 28 1.330 27.112 -21.682 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.040 29.248 -22.689 1.00 0.00 H new ATOM 0 HB ILE A 28 2.157 29.206 -20.580 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.766 29.369 -19.956 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.148 27.824 -20.508 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.130 31.277 -19.730 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.771 31.488 -21.377 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.020 31.294 -21.121 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.131 27.954 -18.066 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.529 27.833 -18.697 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.901 29.402 -18.137 1.00 0.00 H new ATOM 425 N ALA A 29 3.233 29.629 -23.097 1.00 0.00 N ATOM 426 CA ALA A 29 4.245 30.342 -23.868 1.00 0.00 C ATOM 427 C ALA A 29 3.881 30.376 -25.349 1.00 0.00 C ATOM 428 O ALA A 29 3.699 31.447 -25.928 1.00 0.00 O ATOM 429 CB ALA A 29 5.609 29.697 -23.673 1.00 0.00 C ATOM 0 H ALA A 29 3.608 28.938 -22.447 1.00 0.00 H new ATOM 0 HA ALA A 29 4.286 31.369 -23.506 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.354 30.240 -24.254 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.879 29.728 -22.617 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.572 28.660 -24.007 1.00 0.00 H new ATOM 435 N PHE A 30 3.778 29.199 -25.956 1.00 0.00 N ATOM 436 CA PHE A 30 3.438 29.096 -27.370 1.00 0.00 C ATOM 437 C PHE A 30 2.061 29.694 -27.645 1.00 0.00 C ATOM 438 O PHE A 30 1.755 30.086 -28.771 1.00 0.00 O ATOM 439 CB PHE A 30 3.469 27.632 -27.818 1.00 0.00 C ATOM 440 CG PHE A 30 4.857 27.093 -28.008 1.00 0.00 C ATOM 441 CD1 PHE A 30 5.676 27.588 -29.010 1.00 0.00 C ATOM 442 CD2 PHE A 30 5.343 26.089 -27.186 1.00 0.00 C ATOM 443 CE1 PHE A 30 6.954 27.093 -29.188 1.00 0.00 C ATOM 444 CE2 PHE A 30 6.620 25.591 -27.359 1.00 0.00 C ATOM 445 CZ PHE A 30 7.427 26.093 -28.361 1.00 0.00 C ATOM 0 H PHE A 30 3.925 28.303 -25.491 1.00 0.00 H new ATOM 0 HA PHE A 30 4.179 29.659 -27.938 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.949 27.023 -27.078 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.919 27.535 -28.754 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.311 28.370 -29.660 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.717 25.691 -26.401 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.582 27.488 -29.973 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.987 24.809 -26.711 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.425 25.705 -28.498 1.00 0.00 H new ATOM 455 N LYS A 31 1.235 29.763 -26.607 1.00 0.00 N ATOM 456 CA LYS A 31 -0.108 30.315 -26.733 1.00 0.00 C ATOM 457 C LYS A 31 -0.059 31.820 -26.970 1.00 0.00 C ATOM 458 O LYS A 31 -0.776 32.349 -27.819 1.00 0.00 O ATOM 459 CB LYS A 31 -0.926 30.013 -25.474 1.00 0.00 C ATOM 460 CG LYS A 31 -2.152 29.156 -25.736 1.00 0.00 C ATOM 461 CD LYS A 31 -2.996 28.992 -24.483 1.00 0.00 C ATOM 462 CE LYS A 31 -4.405 28.528 -24.817 1.00 0.00 C ATOM 463 NZ LYS A 31 -5.206 29.606 -25.461 1.00 0.00 N1+ ATOM 0 H LYS A 31 1.473 29.443 -25.668 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.587 29.846 -27.592 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.288 29.508 -24.749 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.240 30.953 -25.021 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.753 29.610 -26.524 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.841 28.176 -26.097 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.523 28.271 -23.816 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.041 29.940 -23.947 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.355 27.666 -25.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.905 28.199 -23.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.216 29.364 -25.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.041 30.505 -24.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.921 29.703 -26.456 1.00 0.00 H new ATOM 477 N ARG A 32 0.794 32.506 -26.217 1.00 0.00 N ATOM 478 CA ARG A 32 0.939 33.951 -26.346 1.00 0.00 C ATOM 479 C ARG A 32 1.923 34.302 -27.458 1.00 0.00 C ATOM 480 O ARG A 32 1.790 35.334 -28.114 1.00 0.00 O ATOM 481 CB ARG A 32 1.408 34.559 -25.023 1.00 0.00 C ATOM 482 CG ARG A 32 0.270 35.022 -24.128 1.00 0.00 C ATOM 483 CD ARG A 32 0.734 35.217 -22.693 1.00 0.00 C ATOM 484 NE ARG A 32 1.702 36.304 -22.574 1.00 0.00 N ATOM 485 CZ ARG A 32 1.376 37.590 -22.658 1.00 0.00 C ATOM 486 NH1 ARG A 32 0.117 37.947 -22.863 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 2.314 38.521 -22.539 1.00 0.00 N ATOM 0 H ARG A 32 1.396 32.084 -25.510 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.035 34.367 -26.603 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.005 33.822 -24.486 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.061 35.406 -25.233 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.137 35.958 -24.510 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.536 34.289 -24.154 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.127 35.427 -22.059 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.181 34.292 -22.328 1.00 0.00 H new ATOM 0 HE ARG A 32 2.681 36.064 -22.418 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.606 37.234 -22.957 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.129 38.935 -22.927 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.285 38.250 -22.383 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.064 39.508 -22.603 1.00 0.00 H new ATOM 789 N ILE B 110 -10.775 12.192 -9.258 1.00 0.00 N ATOM 790 CA ILE B 110 -11.129 12.243 -10.671 1.00 0.00 C ATOM 791 C ILE B 110 -10.374 13.356 -11.389 1.00 0.00 C ATOM 792 O ILE B 110 -9.652 13.125 -12.358 1.00 0.00 O ATOM 793 CB ILE B 110 -12.643 12.459 -10.865 1.00 0.00 C ATOM 794 CG1 ILE B 110 -13.374 11.114 -10.879 1.00 0.00 C ATOM 795 CG2 ILE B 110 -12.908 13.225 -12.151 1.00 0.00 C ATOM 796 CD1 ILE B 110 -14.789 11.190 -10.351 1.00 0.00 C ATOM 0 HA ILE B 110 -10.848 11.281 -11.100 1.00 0.00 H new ATOM 0 HB ILE B 110 -13.021 13.049 -10.030 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -13.396 10.732 -11.900 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -12.810 10.397 -10.282 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -13.981 13.370 -12.274 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.414 14.196 -12.105 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -12.519 12.660 -12.998 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -15.246 10.201 -10.391 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -14.774 11.542 -9.319 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -15.369 11.882 -10.962 1.00 0.00 H new ATOM 808 N PRO B 111 -10.540 14.595 -10.900 1.00 0.00 N ATOM 809 CA PRO B 111 -9.880 15.768 -11.478 1.00 0.00 C ATOM 810 C PRO B 111 -8.375 15.768 -11.230 1.00 0.00 C ATOM 811 O PRO B 111 -7.600 16.253 -12.054 1.00 0.00 O ATOM 812 CB PRO B 111 -10.541 16.941 -10.749 1.00 0.00 C ATOM 813 CG PRO B 111 -11.008 16.369 -9.456 1.00 0.00 C ATOM 814 CD PRO B 111 -11.386 14.943 -9.747 1.00 0.00 C ATOM 0 HA PRO B 111 -9.990 15.804 -12.562 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.835 17.756 -10.589 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -11.372 17.347 -11.325 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.223 16.418 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -11.860 16.927 -9.067 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -11.190 14.293 -8.894 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -12.446 14.848 -9.983 1.00 0.00 H new ATOM 822 N VAL B 112 -7.968 15.219 -10.089 1.00 0.00 N ATOM 823 CA VAL B 112 -6.555 15.153 -9.735 1.00 0.00 C ATOM 824 C VAL B 112 -5.739 14.503 -10.845 1.00 0.00 C ATOM 825 O VAL B 112 -4.928 15.159 -11.499 1.00 0.00 O ATOM 826 CB VAL B 112 -6.342 14.367 -8.427 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.862 14.298 -8.082 1.00 0.00 C ATOM 828 CG2 VAL B 112 -7.134 14.996 -7.291 1.00 0.00 C ATOM 0 H VAL B 112 -8.596 14.814 -9.395 1.00 0.00 H new ATOM 0 HA VAL B 112 -6.215 16.179 -9.594 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.706 13.350 -8.572 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -4.730 13.739 -7.155 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -4.324 13.798 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -4.470 15.307 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.971 14.427 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -6.804 16.024 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -8.195 14.988 -7.539 1.00 0.00 H new ATOM 838 N TYR B 113 -5.958 13.210 -11.054 1.00 0.00 N ATOM 839 CA TYR B 113 -5.242 12.469 -12.085 1.00 0.00 C ATOM 840 C TYR B 113 -5.586 12.998 -13.475 1.00 0.00 C ATOM 841 O TYR B 113 -4.721 13.099 -14.343 1.00 0.00 O ATOM 842 CB TYR B 113 -5.575 10.980 -11.998 1.00 0.00 C ATOM 843 CG TYR B 113 -5.028 10.308 -10.758 1.00 0.00 C ATOM 844 CD1 TYR B 113 -5.729 10.339 -9.560 1.00 0.00 C ATOM 845 CD2 TYR B 113 -3.808 9.643 -10.786 1.00 0.00 C ATOM 846 CE1 TYR B 113 -5.233 9.728 -8.424 1.00 0.00 C ATOM 847 CE2 TYR B 113 -3.304 9.028 -9.656 1.00 0.00 C ATOM 848 CZ TYR B 113 -4.020 9.074 -8.478 1.00 0.00 C ATOM 849 OH TYR B 113 -3.521 8.463 -7.350 1.00 0.00 O ATOM 0 H TYR B 113 -6.627 12.653 -10.522 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.174 12.606 -11.918 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.658 10.857 -12.020 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.179 10.476 -12.879 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -6.679 10.850 -9.515 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -3.244 9.606 -11.707 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -5.791 9.762 -7.500 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -2.355 8.514 -9.695 1.00 0.00 H new ATOM 0 HH TYR B 113 -2.658 8.047 -7.558 1.00 0.00 H new ATOM 859 N ALA B 114 -6.856 13.334 -13.675 1.00 0.00 N ATOM 860 CA ALA B 114 -7.315 13.855 -14.956 1.00 0.00 C ATOM 861 C ALA B 114 -6.478 15.052 -15.394 1.00 0.00 C ATOM 862 O ALA B 114 -5.925 15.066 -16.493 1.00 0.00 O ATOM 863 CB ALA B 114 -8.786 14.238 -14.874 1.00 0.00 C ATOM 0 H ALA B 114 -7.585 13.255 -12.966 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.197 13.070 -15.703 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.115 14.626 -15.838 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.377 13.359 -14.615 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.921 15.004 -14.110 1.00 0.00 H new ATOM 869 N SER B 115 -6.391 16.057 -14.527 1.00 0.00 N ATOM 870 CA SER B 115 -5.625 17.260 -14.827 1.00 0.00 C ATOM 871 C SER B 115 -4.151 16.929 -15.034 1.00 0.00 C ATOM 872 O SER B 115 -3.568 17.261 -16.067 1.00 0.00 O ATOM 873 CB SER B 115 -5.776 18.281 -13.697 1.00 0.00 C ATOM 874 OG SER B 115 -7.128 18.679 -13.547 1.00 0.00 O ATOM 0 H SER B 115 -6.842 16.061 -13.612 1.00 0.00 H new ATOM 0 HA SER B 115 -6.016 17.689 -15.750 1.00 0.00 H new ATOM 0 HB2 SER B 115 -5.414 17.851 -12.763 1.00 0.00 H new ATOM 0 HB3 SER B 115 -5.158 19.154 -13.906 1.00 0.00 H new ATOM 0 HG SER B 115 -7.614 18.000 -13.034 1.00 0.00 H new ATOM 880 N ILE B 116 -3.554 16.271 -14.045 1.00 0.00 N ATOM 881 CA ILE B 116 -2.148 15.894 -14.118 1.00 0.00 C ATOM 882 C ILE B 116 -1.839 15.177 -15.429 1.00 0.00 C ATOM 883 O ILE B 116 -0.827 15.452 -16.075 1.00 0.00 O ATOM 884 CB ILE B 116 -1.748 14.984 -12.943 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.906 15.730 -11.615 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.317 14.495 -13.114 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.852 14.825 -10.404 1.00 0.00 C ATOM 0 H ILE B 116 -4.022 15.988 -13.184 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.570 16.817 -14.066 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.409 14.117 -12.933 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -1.120 16.480 -11.533 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.857 16.263 -11.618 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -0.049 13.853 -12.275 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.234 13.932 -14.043 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.358 15.350 -13.146 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.971 15.421 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.655 14.090 -10.463 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.891 14.311 -10.377 1.00 0.00 H new ATOM 899 N LEU B 117 -2.718 14.260 -15.816 1.00 0.00 N ATOM 900 CA LEU B 117 -2.540 13.504 -17.051 1.00 0.00 C ATOM 901 C LEU B 117 -2.461 14.439 -18.255 1.00 0.00 C ATOM 902 O LEU B 117 -1.577 14.304 -19.099 1.00 0.00 O ATOM 903 CB LEU B 117 -3.691 12.514 -17.236 1.00 0.00 C ATOM 904 CG LEU B 117 -3.387 11.057 -16.881 1.00 0.00 C ATOM 905 CD1 LEU B 117 -2.407 10.459 -17.876 1.00 0.00 C ATOM 906 CD2 LEU B 117 -2.839 10.957 -15.465 1.00 0.00 C ATOM 0 H LEU B 117 -3.561 14.022 -15.293 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.602 12.953 -16.979 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.532 12.847 -16.628 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.014 12.554 -18.276 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.316 10.489 -16.931 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.203 9.423 -17.607 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.836 10.497 -18.877 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.478 11.028 -17.858 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.628 9.914 -15.229 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.921 11.539 -15.388 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.575 11.346 -14.762 1.00 0.00 H new ATOM 918 N ALA B 118 -3.389 15.387 -18.323 1.00 0.00 N ATOM 919 CA ALA B 118 -3.422 16.346 -19.420 1.00 0.00 C ATOM 920 C ALA B 118 -2.098 17.094 -19.534 1.00 0.00 C ATOM 921 O ALA B 118 -1.505 17.163 -20.610 1.00 0.00 O ATOM 922 CB ALA B 118 -4.570 17.326 -19.230 1.00 0.00 C ATOM 0 H ALA B 118 -4.128 15.512 -17.631 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.579 15.795 -20.347 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.583 18.036 -20.057 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.514 16.781 -19.206 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.438 17.864 -18.291 1.00 0.00 H new ATOM 928 N ALA B 119 -1.640 17.652 -18.418 1.00 0.00 N ATOM 929 CA ALA B 119 -0.386 18.394 -18.394 1.00 0.00 C ATOM 930 C ALA B 119 0.750 17.571 -18.991 1.00 0.00 C ATOM 931 O ALA B 119 1.534 18.070 -19.797 1.00 0.00 O ATOM 932 CB ALA B 119 -0.047 18.811 -16.970 1.00 0.00 C ATOM 0 H ALA B 119 -2.119 17.604 -17.519 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.510 19.289 -19.003 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.892 19.364 -16.967 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.843 19.444 -16.577 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.053 17.924 -16.345 1.00 0.00 H new ATOM 938 N VAL B 120 0.834 16.307 -18.588 1.00 0.00 N ATOM 939 CA VAL B 120 1.874 15.414 -19.084 1.00 0.00 C ATOM 940 C VAL B 120 1.752 15.211 -20.590 1.00 0.00 C ATOM 941 O VAL B 120 2.661 15.549 -21.349 1.00 0.00 O ATOM 942 CB VAL B 120 1.817 14.042 -18.385 1.00 0.00 C ATOM 943 CG1 VAL B 120 3.045 13.215 -18.733 1.00 0.00 C ATOM 944 CG2 VAL B 120 1.691 14.217 -16.879 1.00 0.00 C ATOM 0 H VAL B 120 0.194 15.879 -17.919 1.00 0.00 H new ATOM 0 HA VAL B 120 2.830 15.887 -18.861 1.00 0.00 H new ATOM 0 HB VAL B 120 0.936 13.508 -18.741 1.00 0.00 H new ATOM 0 HG11 VAL B 120 2.988 12.249 -18.231 1.00 0.00 H new ATOM 0 HG12 VAL B 120 3.086 13.061 -19.811 1.00 0.00 H new ATOM 0 HG13 VAL B 120 3.942 13.741 -18.407 1.00 0.00 H new ATOM 0 HG21 VAL B 120 1.652 13.238 -16.401 1.00 0.00 H new ATOM 0 HG22 VAL B 120 2.552 14.770 -16.504 1.00 0.00 H new ATOM 0 HG23 VAL B 120 0.779 14.768 -16.652 1.00 0.00 H new ATOM 954 N VAL B 121 0.623 14.656 -21.017 1.00 0.00 N ATOM 955 CA VAL B 121 0.380 14.408 -22.433 1.00 0.00 C ATOM 956 C VAL B 121 0.657 15.656 -23.265 1.00 0.00 C ATOM 957 O VAL B 121 1.371 15.603 -24.266 1.00 0.00 O ATOM 958 CB VAL B 121 -1.068 13.949 -22.683 1.00 0.00 C ATOM 959 CG1 VAL B 121 -1.293 13.668 -24.161 1.00 0.00 C ATOM 960 CG2 VAL B 121 -1.390 12.721 -21.844 1.00 0.00 C ATOM 0 H VAL B 121 -0.139 14.369 -20.402 1.00 0.00 H new ATOM 0 HA VAL B 121 1.062 13.613 -22.736 1.00 0.00 H new ATOM 0 HB VAL B 121 -1.741 14.753 -22.384 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -2.322 13.345 -24.317 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -1.106 14.575 -24.736 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -0.612 12.883 -24.490 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -2.417 12.410 -22.033 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -0.711 11.911 -22.110 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -1.272 12.961 -20.787 1.00 0.00 H new ATOM 970 N VAL B 122 0.086 16.780 -22.842 1.00 0.00 N ATOM 971 CA VAL B 122 0.271 18.043 -23.547 1.00 0.00 C ATOM 972 C VAL B 122 1.740 18.450 -23.567 1.00 0.00 C ATOM 973 O VAL B 122 2.248 18.930 -24.579 1.00 0.00 O ATOM 974 CB VAL B 122 -0.554 19.172 -22.901 1.00 0.00 C ATOM 975 CG1 VAL B 122 -0.317 20.488 -23.626 1.00 0.00 C ATOM 976 CG2 VAL B 122 -2.033 18.815 -22.897 1.00 0.00 C ATOM 0 H VAL B 122 -0.508 16.841 -22.015 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.075 17.889 -24.569 1.00 0.00 H new ATOM 0 HB VAL B 122 -0.229 19.291 -21.867 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.908 21.274 -23.156 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.740 20.748 -23.572 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.613 20.387 -24.670 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.601 19.624 -22.437 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.375 18.669 -23.922 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.184 17.897 -22.329 1.00 0.00 H new ATOM 986 N GLY B 123 2.419 18.253 -22.441 1.00 0.00 N ATOM 987 CA GLY B 123 3.824 18.604 -22.351 1.00 0.00 C ATOM 988 C GLY B 123 4.678 17.841 -23.344 1.00 0.00 C ATOM 989 O GLY B 123 5.594 18.402 -23.947 1.00 0.00 O ATOM 0 H GLY B 123 2.021 17.857 -21.590 1.00 0.00 H new ATOM 0 HA2 GLY B 123 3.940 19.674 -22.524 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.181 18.404 -21.341 1.00 0.00 H new ATOM 993 N LEU B 124 4.379 16.558 -23.515 1.00 0.00 N ATOM 994 CA LEU B 124 5.126 15.715 -24.441 1.00 0.00 C ATOM 995 C LEU B 124 4.816 16.086 -25.887 1.00 0.00 C ATOM 996 O LEU B 124 5.721 16.339 -26.683 1.00 0.00 O ATOM 997 CB LEU B 124 4.799 14.241 -24.199 1.00 0.00 C ATOM 998 CG LEU B 124 5.924 13.391 -23.608 1.00 0.00 C ATOM 999 CD1 LEU B 124 5.378 12.441 -22.554 1.00 0.00 C ATOM 1000 CD2 LEU B 124 6.641 12.619 -24.706 1.00 0.00 C ATOM 0 H LEU B 124 3.624 16.079 -23.024 1.00 0.00 H new ATOM 0 HA LEU B 124 6.189 15.878 -24.264 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.940 14.185 -23.531 1.00 0.00 H new ATOM 0 HB3 LEU B 124 4.495 13.797 -25.147 1.00 0.00 H new ATOM 0 HG LEU B 124 6.643 14.056 -23.130 1.00 0.00 H new ATOM 0 HD11 LEU B 124 6.193 11.844 -22.145 1.00 0.00 H new ATOM 0 HD12 LEU B 124 4.911 13.015 -21.754 1.00 0.00 H new ATOM 0 HD13 LEU B 124 4.638 11.782 -23.007 1.00 0.00 H new ATOM 0 HD21 LEU B 124 7.439 12.019 -24.268 1.00 0.00 H new ATOM 0 HD22 LEU B 124 5.932 11.965 -25.213 1.00 0.00 H new ATOM 0 HD23 LEU B 124 7.067 13.319 -25.425 1.00 0.00 H new ATOM 1012 N VAL B 125 3.529 16.120 -26.221 1.00 0.00 N ATOM 1013 CA VAL B 125 3.098 16.464 -27.571 1.00 0.00 C ATOM 1014 C VAL B 125 3.554 17.867 -27.953 1.00 0.00 C ATOM 1015 O VAL B 125 4.247 18.055 -28.952 1.00 0.00 O ATOM 1016 CB VAL B 125 1.566 16.378 -27.710 1.00 0.00 C ATOM 1017 CG1 VAL B 125 1.135 16.759 -29.118 1.00 0.00 C ATOM 1018 CG2 VAL B 125 1.077 14.982 -27.352 1.00 0.00 C ATOM 0 H VAL B 125 2.767 15.913 -25.575 1.00 0.00 H new ATOM 0 HA VAL B 125 3.558 15.740 -28.244 1.00 0.00 H new ATOM 0 HB VAL B 125 1.115 17.086 -27.015 1.00 0.00 H new ATOM 0 HG11 VAL B 125 0.050 16.692 -29.197 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.452 17.780 -29.332 1.00 0.00 H new ATOM 0 HG13 VAL B 125 1.593 16.079 -29.836 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.007 14.939 -27.455 1.00 0.00 H new ATOM 0 HG22 VAL B 125 1.535 14.253 -28.021 1.00 0.00 H new ATOM 0 HG23 VAL B 125 1.353 14.753 -26.323 1.00 0.00 H new ATOM 1028 N ALA B 126 3.161 18.850 -27.149 1.00 0.00 N ATOM 1029 CA ALA B 126 3.532 20.237 -27.401 1.00 0.00 C ATOM 1030 C ALA B 126 5.038 20.376 -27.593 1.00 0.00 C ATOM 1031 O ALA B 126 5.499 20.847 -28.634 1.00 0.00 O ATOM 1032 CB ALA B 126 3.059 21.125 -26.260 1.00 0.00 C ATOM 0 H ALA B 126 2.586 18.711 -26.318 1.00 0.00 H new ATOM 0 HA ALA B 126 3.044 20.557 -28.322 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.343 22.158 -26.461 1.00 0.00 H new ATOM 0 HB2 ALA B 126 1.975 21.057 -26.172 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.520 20.797 -25.328 1.00 0.00 H new ATOM 1038 N TYR B 127 5.799 19.966 -26.585 1.00 0.00 N ATOM 1039 CA TYR B 127 7.253 20.049 -26.642 1.00 0.00 C ATOM 1040 C TYR B 127 7.780 19.483 -27.958 1.00 0.00 C ATOM 1041 O TYR B 127 8.266 20.222 -28.813 1.00 0.00 O ATOM 1042 CB TYR B 127 7.874 19.295 -25.465 1.00 0.00 C ATOM 1043 CG TYR B 127 9.365 19.508 -25.329 1.00 0.00 C ATOM 1044 CD1 TYR B 127 9.891 20.779 -25.136 1.00 0.00 C ATOM 1045 CD2 TYR B 127 10.248 18.436 -25.392 1.00 0.00 C ATOM 1046 CE1 TYR B 127 11.252 20.977 -25.011 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.611 18.625 -25.268 1.00 0.00 C ATOM 1048 CZ TYR B 127 12.108 19.898 -25.078 1.00 0.00 C ATOM 1049 OH TYR B 127 13.464 20.092 -24.953 1.00 0.00 O ATOM 0 H TYR B 127 5.433 19.573 -25.718 1.00 0.00 H new ATOM 0 HA TYR B 127 7.534 21.100 -26.581 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.385 19.610 -24.543 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.677 18.229 -25.582 1.00 0.00 H new ATOM 0 HD1 TYR B 127 9.224 21.627 -25.083 1.00 0.00 H new ATOM 0 HD2 TYR B 127 9.862 17.438 -25.540 1.00 0.00 H new ATOM 0 HE1 TYR B 127 11.644 21.972 -24.861 1.00 0.00 H new ATOM 0 HE2 TYR B 127 12.283 17.781 -25.319 1.00 0.00 H new ATOM 0 HH TYR B 127 13.925 19.230 -25.022 1.00 0.00 H new ATOM 1059 N ILE B 128 7.677 18.166 -28.111 1.00 0.00 N ATOM 1060 CA ILE B 128 8.141 17.501 -29.322 1.00 0.00 C ATOM 1061 C ILE B 128 7.636 18.217 -30.570 1.00 0.00 C ATOM 1062 O ILE B 128 8.417 18.570 -31.453 1.00 0.00 O ATOM 1063 CB ILE B 128 7.682 16.031 -29.366 1.00 0.00 C ATOM 1064 CG1 ILE B 128 8.243 15.263 -28.168 1.00 0.00 C ATOM 1065 CG2 ILE B 128 8.119 15.380 -30.670 1.00 0.00 C ATOM 1066 CD1 ILE B 128 7.332 14.158 -27.679 1.00 0.00 C ATOM 0 H ILE B 128 7.277 17.540 -27.412 1.00 0.00 H new ATOM 0 HA ILE B 128 9.230 17.534 -29.304 1.00 0.00 H new ATOM 0 HB ILE B 128 6.594 16.003 -29.314 1.00 0.00 H new ATOM 0 HG12 ILE B 128 9.207 14.834 -28.441 1.00 0.00 H new ATOM 0 HG13 ILE B 128 8.424 15.962 -27.351 1.00 0.00 H new ATOM 0 HG21 ILE B 128 7.788 14.342 -30.687 1.00 0.00 H new ATOM 0 HG22 ILE B 128 7.677 15.916 -31.510 1.00 0.00 H new ATOM 0 HG23 ILE B 128 9.206 15.416 -30.748 1.00 0.00 H new ATOM 0 HD11 ILE B 128 7.793 13.656 -26.828 1.00 0.00 H new ATOM 0 HD12 ILE B 128 6.375 14.583 -27.375 1.00 0.00 H new ATOM 0 HD13 ILE B 128 7.170 13.438 -28.481 1.00 0.00 H new ATOM 1078 N ALA B 129 6.326 18.429 -30.636 1.00 0.00 N ATOM 1079 CA ALA B 129 5.719 19.106 -31.774 1.00 0.00 C ATOM 1080 C ALA B 129 6.477 20.382 -32.123 1.00 0.00 C ATOM 1081 O ALA B 129 7.044 20.502 -33.210 1.00 0.00 O ATOM 1082 CB ALA B 129 4.258 19.423 -31.482 1.00 0.00 C ATOM 0 H ALA B 129 5.665 18.141 -29.914 1.00 0.00 H new ATOM 0 HA ALA B 129 5.771 18.436 -32.633 1.00 0.00 H new ATOM 0 HB1 ALA B 129 3.817 19.929 -32.341 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.716 18.497 -31.289 1.00 0.00 H new ATOM 0 HB3 ALA B 129 4.194 20.070 -30.607 1.00 0.00 H new ATOM 1088 N PHE B 130 6.485 21.333 -31.196 1.00 0.00 N ATOM 1089 CA PHE B 130 7.174 22.601 -31.407 1.00 0.00 C ATOM 1090 C PHE B 130 8.668 22.380 -31.616 1.00 0.00 C ATOM 1091 O PHE B 130 9.369 23.244 -32.146 1.00 0.00 O ATOM 1092 CB PHE B 130 6.946 23.535 -30.216 1.00 0.00 C ATOM 1093 CG PHE B 130 5.594 24.188 -30.217 1.00 0.00 C ATOM 1094 CD1 PHE B 130 5.289 25.178 -31.137 1.00 0.00 C ATOM 1095 CD2 PHE B 130 4.628 23.814 -29.297 1.00 0.00 C ATOM 1096 CE1 PHE B 130 4.046 25.782 -31.141 1.00 0.00 C ATOM 1097 CE2 PHE B 130 3.382 24.413 -29.296 1.00 0.00 C ATOM 1098 CZ PHE B 130 3.091 25.400 -30.219 1.00 0.00 C ATOM 0 H PHE B 130 6.022 21.250 -30.291 1.00 0.00 H new ATOM 0 HA PHE B 130 6.764 23.063 -32.305 1.00 0.00 H new ATOM 0 HB2 PHE B 130 7.067 22.969 -29.292 1.00 0.00 H new ATOM 0 HB3 PHE B 130 7.714 24.308 -30.219 1.00 0.00 H new ATOM 0 HD1 PHE B 130 6.032 25.481 -31.860 1.00 0.00 H new ATOM 0 HD2 PHE B 130 4.851 23.045 -28.572 1.00 0.00 H new ATOM 0 HE1 PHE B 130 3.822 26.552 -31.864 1.00 0.00 H new ATOM 0 HE2 PHE B 130 2.637 24.110 -28.575 1.00 0.00 H new ATOM 0 HZ PHE B 130 2.119 25.871 -30.219 1.00 0.00 H new ATOM 1108 N LYS B 131 9.153 21.217 -31.194 1.00 0.00 N ATOM 1109 CA LYS B 131 10.564 20.879 -31.334 1.00 0.00 C ATOM 1110 C LYS B 131 10.912 20.585 -32.790 1.00 0.00 C ATOM 1111 O LYS B 131 11.926 21.057 -33.304 1.00 0.00 O ATOM 1112 CB LYS B 131 10.909 19.669 -30.463 1.00 0.00 C ATOM 1113 CG LYS B 131 11.936 19.969 -29.385 1.00 0.00 C ATOM 1114 CD LYS B 131 12.341 18.712 -28.633 1.00 0.00 C ATOM 1115 CE LYS B 131 13.641 18.912 -27.871 1.00 0.00 C ATOM 1116 NZ LYS B 131 14.813 18.996 -28.786 1.00 0.00 N1+ ATOM 0 H LYS B 131 8.588 20.492 -30.752 1.00 0.00 H new ATOM 0 HA LYS B 131 11.151 21.736 -31.004 1.00 0.00 H new ATOM 0 HB2 LYS B 131 9.998 19.299 -29.992 1.00 0.00 H new ATOM 0 HB3 LYS B 131 11.286 18.869 -31.100 1.00 0.00 H new ATOM 0 HG2 LYS B 131 12.818 20.423 -29.838 1.00 0.00 H new ATOM 0 HG3 LYS B 131 11.527 20.697 -28.684 1.00 0.00 H new ATOM 0 HD2 LYS B 131 11.550 18.432 -27.937 1.00 0.00 H new ATOM 0 HD3 LYS B 131 12.454 17.887 -29.336 1.00 0.00 H new ATOM 0 HE2 LYS B 131 13.577 19.824 -27.278 1.00 0.00 H new ATOM 0 HE3 LYS B 131 13.784 18.087 -27.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 15.687 18.826 -28.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 14.722 18.279 -29.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 14.850 19.942 -29.217 1.00 0.00 H new ATOM 1130 N ARG B 132 10.062 19.805 -33.451 1.00 0.00 N ATOM 1131 CA ARG B 132 10.280 19.449 -34.848 1.00 0.00 C ATOM 1132 C ARG B 132 9.718 20.522 -35.776 1.00 0.00 C ATOM 1133 O ARG B 132 10.228 20.735 -36.875 1.00 0.00 O ATOM 1134 CB ARG B 132 9.633 18.098 -35.160 1.00 0.00 C ATOM 1135 CG ARG B 132 10.575 16.918 -34.991 1.00 0.00 C ATOM 1136 CD ARG B 132 9.813 15.605 -34.903 1.00 0.00 C ATOM 1137 NE ARG B 132 9.119 15.291 -36.149 1.00 0.00 N ATOM 1138 CZ ARG B 132 9.736 14.875 -37.249 1.00 0.00 C ATOM 1139 NH1 ARG B 132 11.054 14.725 -37.257 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 9.035 14.610 -38.344 1.00 0.00 N ATOM 0 H ARG B 132 9.216 19.408 -33.041 1.00 0.00 H new ATOM 0 HA ARG B 132 11.355 19.375 -35.015 1.00 0.00 H new ATOM 0 HB2 ARG B 132 8.770 17.959 -34.509 1.00 0.00 H new ATOM 0 HB3 ARG B 132 9.261 18.111 -36.184 1.00 0.00 H new ATOM 0 HG2 ARG B 132 11.269 16.882 -35.831 1.00 0.00 H new ATOM 0 HG3 ARG B 132 11.173 17.054 -34.090 1.00 0.00 H new ATOM 0 HD2 ARG B 132 10.506 14.799 -34.661 1.00 0.00 H new ATOM 0 HD3 ARG B 132 9.090 15.659 -34.089 1.00 0.00 H new ATOM 0 HE ARG B 132 8.105 15.397 -36.176 1.00 0.00 H new ATOM 0 HH11 ARG B 132 11.596 14.929 -36.417 1.00 0.00 H new ATOM 0 HH12 ARG B 132 11.526 14.405 -38.103 1.00 0.00 H new ATOM 0 HH21 ARG B 132 8.022 14.726 -38.341 1.00 0.00 H new ATOM 0 HH22 ARG B 132 9.510 14.291 -39.188 1.00 0.00 H new