USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 288 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 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 155 N PRO A 11 2.064 -14.121 1.713 1.00 0.00 N ATOM 156 CA PRO A 11 1.205 -13.348 0.811 1.00 0.00 C ATOM 157 C PRO A 11 0.719 -14.173 -0.375 1.00 0.00 C ATOM 158 O PRO A 11 -0.459 -14.136 -0.729 1.00 0.00 O ATOM 159 CB PRO A 11 2.117 -12.214 0.337 1.00 0.00 C ATOM 160 CG PRO A 11 3.498 -12.757 0.471 1.00 0.00 C ATOM 161 CD PRO A 11 3.468 -13.676 1.662 1.00 0.00 C ATOM 0 HA PRO A 11 0.298 -13.004 1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.899 -11.936 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.983 -11.318 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.795 -13.295 -0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.221 -11.954 0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.152 -14.516 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.759 -13.159 2.576 1.00 0.00 H new ATOM 169 N VAL A 12 1.635 -14.918 -0.987 1.00 0.00 N ATOM 170 CA VAL A 12 1.299 -15.754 -2.133 1.00 0.00 C ATOM 171 C VAL A 12 0.098 -16.642 -1.833 1.00 0.00 C ATOM 172 O VAL A 12 -0.649 -17.021 -2.736 1.00 0.00 O ATOM 173 CB VAL A 12 2.488 -16.641 -2.547 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.580 -17.866 -1.650 1.00 0.00 C ATOM 175 CG2 VAL A 12 2.365 -17.049 -4.007 1.00 0.00 C ATOM 0 H VAL A 12 2.615 -14.959 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 12 1.053 -15.081 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 12 3.406 -16.065 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.426 -18.480 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.719 -17.550 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.661 -18.447 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.213 -17.675 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.440 -17.607 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.353 -16.158 -4.634 1.00 0.00 H new ATOM 185 N TYR A 13 -0.085 -16.971 -0.558 1.00 0.00 N ATOM 186 CA TYR A 13 -1.194 -17.818 -0.138 1.00 0.00 C ATOM 187 C TYR A 13 -2.532 -17.128 -0.390 1.00 0.00 C ATOM 188 O TYR A 13 -3.446 -17.712 -0.972 1.00 0.00 O ATOM 189 CB TYR A 13 -1.061 -18.172 1.343 1.00 0.00 C ATOM 190 CG TYR A 13 -0.564 -19.578 1.588 1.00 0.00 C ATOM 191 CD1 TYR A 13 0.470 -20.113 0.829 1.00 0.00 C ATOM 192 CD2 TYR A 13 -1.129 -20.375 2.576 1.00 0.00 C ATOM 193 CE1 TYR A 13 0.927 -21.398 1.048 1.00 0.00 C ATOM 194 CE2 TYR A 13 -0.678 -21.660 2.803 1.00 0.00 C ATOM 195 CZ TYR A 13 0.350 -22.168 2.036 1.00 0.00 C ATOM 196 OH TYR A 13 0.802 -23.449 2.258 1.00 0.00 O ATOM 0 H TYR A 13 0.521 -16.663 0.202 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.161 -18.734 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.378 -17.467 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.031 -18.049 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.924 -19.513 0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.936 -19.982 3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.732 -21.798 0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.128 -22.264 3.577 1.00 0.00 H new ATOM 0 HH TYR A 13 0.290 -23.854 2.989 1.00 0.00 H new ATOM 206 N CYS A 14 -2.638 -15.880 0.053 1.00 0.00 N ATOM 207 CA CYS A 14 -3.862 -15.106 -0.123 1.00 0.00 C ATOM 208 C CYS A 14 -4.123 -14.831 -1.601 1.00 0.00 C ATOM 209 O CYS A 14 -5.272 -14.728 -2.031 1.00 0.00 O ATOM 210 CB CYS A 14 -3.771 -13.787 0.645 1.00 0.00 C ATOM 211 SG CYS A 14 -5.387 -13.086 1.112 1.00 0.00 S ATOM 0 H CYS A 14 -1.891 -15.382 0.537 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.693 -15.691 0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.181 -13.944 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.234 -13.060 0.036 1.00 0.00 H new ATOM 216 N SER A 15 -3.048 -14.712 -2.374 1.00 0.00 N ATOM 217 CA SER A 15 -3.160 -14.445 -3.802 1.00 0.00 C ATOM 218 C SER A 15 -3.608 -15.693 -4.557 1.00 0.00 C ATOM 219 O SER A 15 -4.538 -15.644 -5.362 1.00 0.00 O ATOM 220 CB SER A 15 -1.822 -13.953 -4.357 1.00 0.00 C ATOM 221 OG SER A 15 -2.016 -13.014 -5.401 1.00 0.00 O ATOM 0 H SER A 15 -2.090 -14.796 -2.035 1.00 0.00 H new ATOM 0 HA SER A 15 -3.912 -13.668 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.239 -13.497 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.245 -14.800 -4.728 1.00 0.00 H new ATOM 0 HG SER A 15 -1.146 -12.714 -5.737 1.00 0.00 H new ATOM 227 N ILE A 16 -2.940 -16.809 -4.288 1.00 0.00 N ATOM 228 CA ILE A 16 -3.271 -18.072 -4.938 1.00 0.00 C ATOM 229 C ILE A 16 -4.658 -18.554 -4.528 1.00 0.00 C ATOM 230 O ILE A 16 -5.408 -19.090 -5.345 1.00 0.00 O ATOM 231 CB ILE A 16 -2.239 -19.165 -4.604 1.00 0.00 C ATOM 232 CG1 ILE A 16 -0.847 -18.746 -5.081 1.00 0.00 C ATOM 233 CG2 ILE A 16 -2.646 -20.488 -5.234 1.00 0.00 C ATOM 234 CD1 ILE A 16 0.278 -19.443 -4.349 1.00 0.00 C ATOM 0 H ILE A 16 -2.167 -16.865 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.256 -17.887 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.207 -19.295 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.759 -18.954 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.738 -17.669 -4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.907 -21.250 -4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.620 -20.790 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.704 -20.373 -6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.235 -19.097 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.216 -19.215 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.195 -20.520 -4.495 1.00 0.00 H new ATOM 246 N LEU A 17 -4.993 -18.360 -3.257 1.00 0.00 N ATOM 247 CA LEU A 17 -6.292 -18.774 -2.738 1.00 0.00 C ATOM 248 C LEU A 17 -7.420 -18.000 -3.412 1.00 0.00 C ATOM 249 O LEU A 17 -8.316 -18.589 -4.016 1.00 0.00 O ATOM 250 CB LEU A 17 -6.348 -18.563 -1.223 1.00 0.00 C ATOM 251 CG LEU A 17 -7.653 -18.966 -0.538 1.00 0.00 C ATOM 252 CD1 LEU A 17 -7.459 -20.237 0.276 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.162 -17.837 0.348 1.00 0.00 C ATOM 0 H LEU A 17 -4.384 -17.919 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.422 -19.834 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.533 -19.126 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.163 -17.509 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.399 -19.162 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.399 -20.508 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.141 -21.046 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.698 -20.069 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.092 -18.142 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.418 -17.610 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.341 -16.950 -0.260 1.00 0.00 H new ATOM 265 N ALA A 18 -7.369 -16.676 -3.306 1.00 0.00 N ATOM 266 CA ALA A 18 -8.382 -15.821 -3.910 1.00 0.00 C ATOM 267 C ALA A 18 -8.587 -16.167 -5.381 1.00 0.00 C ATOM 268 O ALA A 18 -9.719 -16.268 -5.854 1.00 0.00 O ATOM 269 CB ALA A 18 -7.997 -14.356 -3.759 1.00 0.00 C ATOM 0 H ALA A 18 -6.636 -16.173 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.324 -15.993 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.763 -13.729 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.910 -14.110 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.042 -14.178 -4.253 1.00 0.00 H new ATOM 275 N ALA A 19 -7.485 -16.346 -6.101 1.00 0.00 N ATOM 276 CA ALA A 19 -7.543 -16.681 -7.518 1.00 0.00 C ATOM 277 C ALA A 19 -8.403 -17.917 -7.756 1.00 0.00 C ATOM 278 O ALA A 19 -9.347 -17.887 -8.545 1.00 0.00 O ATOM 279 CB ALA A 19 -6.141 -16.898 -8.068 1.00 0.00 C ATOM 0 H ALA A 19 -6.540 -16.264 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.002 -15.844 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.200 -17.148 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.556 -15.987 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.661 -17.715 -7.529 1.00 0.00 H new ATOM 285 N VAL A 20 -8.072 -19.005 -7.066 1.00 0.00 N ATOM 286 CA VAL A 20 -8.815 -20.252 -7.201 1.00 0.00 C ATOM 287 C VAL A 20 -10.301 -20.039 -6.932 1.00 0.00 C ATOM 288 O VAL A 20 -11.151 -20.476 -7.706 1.00 0.00 O ATOM 289 CB VAL A 20 -8.280 -21.331 -6.240 1.00 0.00 C ATOM 290 CG1 VAL A 20 -8.957 -22.666 -6.506 1.00 0.00 C ATOM 291 CG2 VAL A 20 -6.770 -21.454 -6.366 1.00 0.00 C ATOM 0 H VAL A 20 -7.294 -19.047 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.680 -20.591 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.513 -21.031 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.566 -23.416 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.032 -22.564 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.758 -22.977 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.409 -22.220 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.512 -21.731 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.305 -20.499 -6.120 1.00 0.00 H new ATOM 301 N VAL A 21 -10.606 -19.362 -5.829 1.00 0.00 N ATOM 302 CA VAL A 21 -11.989 -19.090 -5.457 1.00 0.00 C ATOM 303 C VAL A 21 -12.702 -18.289 -6.541 1.00 0.00 C ATOM 304 O VAL A 21 -13.767 -18.680 -7.017 1.00 0.00 O ATOM 305 CB VAL A 21 -12.071 -18.319 -4.126 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.518 -18.012 -3.775 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.399 -19.107 -3.012 1.00 0.00 C ATOM 0 H VAL A 21 -9.914 -18.992 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.481 -20.055 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.542 -17.373 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.556 -17.467 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.963 -17.404 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.075 -18.944 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.466 -18.548 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.898 -20.069 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.351 -19.270 -3.263 1.00 0.00 H new ATOM 317 N VAL A 22 -12.105 -17.165 -6.928 1.00 0.00 N ATOM 318 CA VAL A 22 -12.682 -16.309 -7.958 1.00 0.00 C ATOM 319 C VAL A 22 -13.043 -17.113 -9.202 1.00 0.00 C ATOM 320 O VAL A 22 -14.207 -17.176 -9.596 1.00 0.00 O ATOM 321 CB VAL A 22 -11.714 -15.178 -8.354 1.00 0.00 C ATOM 322 CG1 VAL A 22 -12.296 -14.351 -9.489 1.00 0.00 C ATOM 323 CG2 VAL A 22 -11.399 -14.301 -7.151 1.00 0.00 C ATOM 0 H VAL A 22 -11.223 -16.827 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.587 -15.872 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.783 -15.625 -8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.598 -13.557 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.466 -14.990 -10.355 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.242 -13.912 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.714 -13.507 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.321 -13.861 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.936 -14.906 -6.371 1.00 0.00 H new ATOM 333 N GLY A 23 -12.036 -17.728 -9.815 1.00 0.00 N ATOM 334 CA GLY A 23 -12.269 -18.521 -11.009 1.00 0.00 C ATOM 335 C GLY A 23 -13.372 -19.542 -10.820 1.00 0.00 C ATOM 336 O GLY A 23 -14.194 -19.751 -11.713 1.00 0.00 O ATOM 0 H GLY A 23 -11.064 -17.692 -9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.528 -17.860 -11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.348 -19.033 -11.287 1.00 0.00 H new ATOM 340 N LEU A 24 -13.393 -20.180 -9.655 1.00 0.00 N ATOM 341 CA LEU A 24 -14.405 -21.187 -9.352 1.00 0.00 C ATOM 342 C LEU A 24 -15.809 -20.616 -9.523 1.00 0.00 C ATOM 343 O LEU A 24 -16.623 -21.157 -10.273 1.00 0.00 O ATOM 344 CB LEU A 24 -14.224 -21.706 -7.924 1.00 0.00 C ATOM 345 CG LEU A 24 -14.300 -23.223 -7.747 1.00 0.00 C ATOM 346 CD1 LEU A 24 -13.102 -23.729 -6.959 1.00 0.00 C ATOM 347 CD2 LEU A 24 -15.599 -23.615 -7.059 1.00 0.00 C ATOM 0 H LEU A 24 -12.721 -20.018 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.281 -22.014 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.257 -21.365 -7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.986 -21.248 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.281 -23.686 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.173 -24.810 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.184 -23.481 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.088 -23.259 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.636 -24.698 -6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.649 -23.142 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.444 -23.287 -7.664 1.00 0.00 H new ATOM 359 N VAL A 25 -16.086 -19.519 -8.826 1.00 0.00 N ATOM 360 CA VAL A 25 -17.390 -18.872 -8.905 1.00 0.00 C ATOM 361 C VAL A 25 -17.712 -18.458 -10.336 1.00 0.00 C ATOM 362 O VAL A 25 -18.870 -18.477 -10.753 1.00 0.00 O ATOM 363 CB VAL A 25 -17.457 -17.631 -7.996 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.835 -16.991 -8.064 1.00 0.00 C ATOM 365 CG2 VAL A 25 -17.103 -18.001 -6.563 1.00 0.00 C ATOM 0 H VAL A 25 -15.425 -19.060 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.126 -19.601 -8.566 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.727 -16.903 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.862 -16.116 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.046 -16.689 -9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.586 -17.709 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.155 -17.112 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.807 -18.747 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.093 -18.409 -6.531 1.00 0.00 H new ATOM 375 N ALA A 26 -16.680 -18.083 -11.085 1.00 0.00 N ATOM 376 CA ALA A 26 -16.853 -17.665 -12.470 1.00 0.00 C ATOM 377 C ALA A 26 -17.121 -18.862 -13.376 1.00 0.00 C ATOM 378 O ALA A 26 -17.768 -18.733 -14.415 1.00 0.00 O ATOM 379 CB ALA A 26 -15.626 -16.904 -12.948 1.00 0.00 C ATOM 0 H ALA A 26 -15.715 -18.060 -10.755 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.719 -17.005 -12.519 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.769 -16.598 -13.984 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.480 -16.021 -12.325 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.749 -17.547 -12.877 1.00 0.00 H new ATOM 385 N TYR A 27 -16.620 -20.025 -12.974 1.00 0.00 N ATOM 386 CA TYR A 27 -16.805 -21.245 -13.751 1.00 0.00 C ATOM 387 C TYR A 27 -18.235 -21.760 -13.623 1.00 0.00 C ATOM 388 O TYR A 27 -18.864 -22.133 -14.615 1.00 0.00 O ATOM 389 CB TYR A 27 -15.820 -22.321 -13.291 1.00 0.00 C ATOM 390 CG TYR A 27 -16.048 -23.667 -13.940 1.00 0.00 C ATOM 391 CD1 TYR A 27 -16.077 -23.799 -15.323 1.00 0.00 C ATOM 392 CD2 TYR A 27 -16.236 -24.809 -13.170 1.00 0.00 C ATOM 393 CE1 TYR A 27 -16.285 -25.027 -15.920 1.00 0.00 C ATOM 394 CE2 TYR A 27 -16.444 -26.041 -13.759 1.00 0.00 C ATOM 395 CZ TYR A 27 -16.468 -26.145 -15.134 1.00 0.00 C ATOM 396 OH TYR A 27 -16.676 -27.370 -15.724 1.00 0.00 O ATOM 0 H TYR A 27 -16.083 -20.149 -12.116 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.615 -21.012 -14.799 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.805 -21.989 -13.509 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.894 -22.431 -12.209 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.934 -22.926 -15.942 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -16.219 -24.732 -12.093 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.304 -25.111 -16.997 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -16.587 -26.918 -13.146 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.786 -28.053 -15.030 1.00 0.00 H new ATOM 406 N ILE A 28 -18.743 -21.779 -12.395 1.00 0.00 N ATOM 407 CA ILE A 28 -20.099 -22.247 -12.136 1.00 0.00 C ATOM 408 C ILE A 28 -21.131 -21.219 -12.587 1.00 0.00 C ATOM 409 O ILE A 28 -22.104 -21.556 -13.261 1.00 0.00 O ATOM 410 CB ILE A 28 -20.313 -22.553 -10.642 1.00 0.00 C ATOM 411 CG1 ILE A 28 -19.314 -23.609 -10.167 1.00 0.00 C ATOM 412 CG2 ILE A 28 -21.741 -23.018 -10.397 1.00 0.00 C ATOM 413 CD1 ILE A 28 -18.623 -23.247 -8.871 1.00 0.00 C ATOM 0 H ILE A 28 -18.236 -21.476 -11.564 1.00 0.00 H new ATOM 0 HA ILE A 28 -20.231 -23.165 -12.709 1.00 0.00 H new ATOM 0 HB ILE A 28 -20.146 -21.640 -10.071 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -19.834 -24.558 -10.039 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.561 -23.760 -10.941 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -21.878 -23.231 -9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -22.436 -22.236 -10.703 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -21.934 -23.921 -10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -17.929 -24.041 -8.595 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -18.074 -22.314 -8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -19.367 -23.125 -8.084 1.00 0.00 H new ATOM 425 N ALA A 29 -20.910 -19.964 -12.211 1.00 0.00 N ATOM 426 CA ALA A 29 -21.819 -18.885 -12.580 1.00 0.00 C ATOM 427 C ALA A 29 -21.965 -18.783 -14.095 1.00 0.00 C ATOM 428 O ALA A 29 -23.064 -18.917 -14.633 1.00 0.00 O ATOM 429 CB ALA A 29 -21.330 -17.564 -12.005 1.00 0.00 C ATOM 0 H ALA A 29 -20.110 -19.669 -11.651 1.00 0.00 H new ATOM 0 HA ALA A 29 -22.800 -19.111 -12.162 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -22.018 -16.767 -12.288 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.284 -17.635 -10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.337 -17.342 -12.396 1.00 0.00 H new ATOM 435 N PHE A 30 -20.849 -18.546 -14.777 1.00 0.00 N ATOM 436 CA PHE A 30 -20.853 -18.425 -16.231 1.00 0.00 C ATOM 437 C PHE A 30 -21.545 -19.624 -16.874 1.00 0.00 C ATOM 438 O PHE A 30 -22.143 -19.510 -17.944 1.00 0.00 O ATOM 439 CB PHE A 30 -19.422 -18.304 -16.757 1.00 0.00 C ATOM 440 CG PHE A 30 -19.336 -18.272 -18.257 1.00 0.00 C ATOM 441 CD1 PHE A 30 -20.179 -17.456 -18.995 1.00 0.00 C ATOM 442 CD2 PHE A 30 -18.413 -19.058 -18.927 1.00 0.00 C ATOM 443 CE1 PHE A 30 -20.101 -17.426 -20.375 1.00 0.00 C ATOM 444 CE2 PHE A 30 -18.332 -19.032 -20.307 1.00 0.00 C ATOM 445 CZ PHE A 30 -19.176 -18.214 -21.032 1.00 0.00 C ATOM 0 H PHE A 30 -19.931 -18.434 -14.347 1.00 0.00 H new ATOM 0 HA PHE A 30 -21.407 -17.524 -16.495 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -18.971 -17.396 -16.356 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -18.834 -19.143 -16.385 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -20.904 -16.837 -18.487 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -17.749 -19.698 -18.365 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -20.763 -16.786 -20.939 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.609 -19.651 -20.818 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.113 -18.190 -22.110 1.00 0.00 H new ATOM 455 N LYS A 31 -21.457 -20.774 -16.214 1.00 0.00 N ATOM 456 CA LYS A 31 -22.074 -21.995 -16.719 1.00 0.00 C ATOM 457 C LYS A 31 -23.578 -21.988 -16.469 1.00 0.00 C ATOM 458 O LYS A 31 -24.363 -22.365 -17.339 1.00 0.00 O ATOM 459 CB LYS A 31 -21.441 -23.222 -16.057 1.00 0.00 C ATOM 460 CG LYS A 31 -20.411 -23.919 -16.929 1.00 0.00 C ATOM 461 CD LYS A 31 -21.072 -24.772 -17.999 1.00 0.00 C ATOM 462 CE LYS A 31 -20.123 -25.836 -18.528 1.00 0.00 C ATOM 463 NZ LYS A 31 -20.732 -27.194 -18.483 1.00 0.00 N1+ ATOM 0 H LYS A 31 -20.964 -20.886 -15.328 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.903 -22.041 -17.794 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -20.968 -22.917 -15.123 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -22.227 -23.932 -15.800 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.769 -23.175 -17.401 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.771 -24.545 -16.308 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.962 -25.249 -17.588 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.402 -24.136 -18.821 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.845 -25.597 -19.554 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.206 -25.830 -17.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.054 -27.891 -18.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.975 -27.433 -17.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.594 -27.208 -19.065 1.00 0.00 H new ATOM 477 N ARG A 32 -23.973 -21.557 -15.275 1.00 0.00 N ATOM 478 CA ARG A 32 -25.384 -21.502 -14.911 1.00 0.00 C ATOM 479 C ARG A 32 -26.154 -20.586 -15.857 1.00 0.00 C ATOM 480 O ARG A 32 -27.359 -20.749 -16.050 1.00 0.00 O ATOM 481 CB ARG A 32 -25.541 -21.013 -13.470 1.00 0.00 C ATOM 482 CG ARG A 32 -26.981 -21.009 -12.982 1.00 0.00 C ATOM 483 CD ARG A 32 -27.467 -22.416 -12.670 1.00 0.00 C ATOM 484 NE ARG A 32 -28.587 -22.809 -13.521 1.00 0.00 N ATOM 485 CZ ARG A 32 -29.165 -24.003 -13.471 1.00 0.00 C ATOM 486 NH1 ARG A 32 -28.730 -24.918 -12.615 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -30.180 -24.286 -14.278 1.00 0.00 N ATOM 0 H ARG A 32 -23.336 -21.241 -14.544 1.00 0.00 H new ATOM 0 HA ARG A 32 -25.795 -22.508 -14.993 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.945 -21.647 -12.813 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -25.137 -20.004 -13.392 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -27.062 -20.388 -12.090 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -27.622 -20.561 -13.741 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -26.646 -23.121 -12.803 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -27.769 -22.472 -11.624 1.00 0.00 H new ATOM 0 HE ARG A 32 -28.945 -22.128 -14.191 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -27.950 -24.705 -11.993 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -29.176 -25.835 -12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -30.517 -23.585 -14.938 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -30.623 -25.204 -14.238 1.00 0.00 H new ATOM 808 N PRO B 111 -6.946 -12.673 9.397 1.00 0.00 N ATOM 809 CA PRO B 111 -7.656 -13.607 8.518 1.00 0.00 C ATOM 810 C PRO B 111 -8.828 -12.947 7.798 1.00 0.00 C ATOM 811 O PRO B 111 -9.015 -13.133 6.595 1.00 0.00 O ATOM 812 CB PRO B 111 -8.160 -14.685 9.481 1.00 0.00 C ATOM 813 CG PRO B 111 -8.260 -14.001 10.800 1.00 0.00 C ATOM 814 CD PRO B 111 -7.154 -12.981 10.821 1.00 0.00 C ATOM 0 HA PRO B 111 -7.014 -13.990 7.725 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.127 -15.077 9.165 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -7.472 -15.529 9.525 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.233 -13.525 10.920 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -8.150 -14.713 11.618 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -7.437 -12.093 11.387 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -6.250 -13.378 11.282 1.00 0.00 H new ATOM 822 N VAL B 112 -9.614 -12.174 8.541 1.00 0.00 N ATOM 823 CA VAL B 112 -10.767 -11.486 7.972 1.00 0.00 C ATOM 824 C VAL B 112 -10.377 -10.698 6.727 1.00 0.00 C ATOM 825 O VAL B 112 -11.197 -10.481 5.834 1.00 0.00 O ATOM 826 CB VAL B 112 -11.408 -10.527 8.993 1.00 0.00 C ATOM 827 CG1 VAL B 112 -10.630 -9.221 9.060 1.00 0.00 C ATOM 828 CG2 VAL B 112 -12.866 -10.272 8.641 1.00 0.00 C ATOM 0 H VAL B 112 -9.473 -12.009 9.538 1.00 0.00 H new ATOM 0 HA VAL B 112 -11.492 -12.254 7.701 1.00 0.00 H new ATOM 0 HB VAL B 112 -11.372 -10.994 9.977 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -11.097 -8.556 9.786 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -9.603 -9.425 9.363 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -10.632 -8.746 8.079 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -13.303 -9.593 9.373 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -12.928 -9.826 7.649 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.413 -11.215 8.649 1.00 0.00 H new ATOM 838 N TYR B 113 -9.120 -10.272 6.673 1.00 0.00 N ATOM 839 CA TYR B 113 -8.620 -9.507 5.537 1.00 0.00 C ATOM 840 C TYR B 113 -8.632 -10.349 4.265 1.00 0.00 C ATOM 841 O TYR B 113 -9.129 -9.916 3.224 1.00 0.00 O ATOM 842 CB TYR B 113 -7.202 -9.006 5.816 1.00 0.00 C ATOM 843 CG TYR B 113 -7.137 -7.539 6.177 1.00 0.00 C ATOM 844 CD1 TYR B 113 -8.068 -6.975 7.040 1.00 0.00 C ATOM 845 CD2 TYR B 113 -6.146 -6.718 5.653 1.00 0.00 C ATOM 846 CE1 TYR B 113 -8.013 -5.635 7.371 1.00 0.00 C ATOM 847 CE2 TYR B 113 -6.084 -5.377 5.981 1.00 0.00 C ATOM 848 CZ TYR B 113 -7.019 -4.840 6.839 1.00 0.00 C ATOM 849 OH TYR B 113 -6.960 -3.505 7.167 1.00 0.00 O ATOM 0 H TYR B 113 -8.428 -10.444 7.403 1.00 0.00 H new ATOM 0 HA TYR B 113 -9.279 -8.651 5.391 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.773 -9.591 6.629 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -6.584 -9.182 4.936 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -8.847 -7.594 7.459 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -5.412 -7.135 4.979 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -8.745 -5.212 8.043 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -5.306 -4.753 5.567 1.00 0.00 H new ATOM 0 HH TYR B 113 -6.200 -3.089 6.709 1.00 0.00 H new ATOM 859 N CYS B 114 -8.082 -11.555 4.356 1.00 0.00 N ATOM 860 CA CYS B 114 -8.030 -12.461 3.215 1.00 0.00 C ATOM 861 C CYS B 114 -9.433 -12.899 2.803 1.00 0.00 C ATOM 862 O CYS B 114 -9.697 -13.148 1.628 1.00 0.00 O ATOM 863 CB CYS B 114 -7.179 -13.687 3.549 1.00 0.00 C ATOM 864 SG CYS B 114 -6.422 -14.486 2.097 1.00 0.00 S ATOM 0 H CYS B 114 -7.666 -11.928 5.209 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.575 -11.928 2.380 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -6.390 -13.391 4.240 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -7.800 -14.416 4.069 1.00 0.00 H new ATOM 869 N SER B 115 -10.329 -12.990 3.781 1.00 0.00 N ATOM 870 CA SER B 115 -11.704 -13.400 3.522 1.00 0.00 C ATOM 871 C SER B 115 -12.487 -12.280 2.844 1.00 0.00 C ATOM 872 O SER B 115 -13.157 -12.499 1.833 1.00 0.00 O ATOM 873 CB SER B 115 -12.393 -13.802 4.826 1.00 0.00 C ATOM 874 OG SER B 115 -13.325 -14.848 4.610 1.00 0.00 O ATOM 0 H SER B 115 -10.127 -12.785 4.760 1.00 0.00 H new ATOM 0 HA SER B 115 -11.680 -14.260 2.852 1.00 0.00 H new ATOM 0 HB2 SER B 115 -11.646 -14.121 5.552 1.00 0.00 H new ATOM 0 HB3 SER B 115 -12.903 -12.938 5.252 1.00 0.00 H new ATOM 0 HG SER B 115 -13.751 -15.088 5.460 1.00 0.00 H new ATOM 880 N ILE B 116 -12.398 -11.080 3.407 1.00 0.00 N ATOM 881 CA ILE B 116 -13.096 -9.925 2.856 1.00 0.00 C ATOM 882 C ILE B 116 -12.548 -9.553 1.483 1.00 0.00 C ATOM 883 O ILE B 116 -13.299 -9.171 0.584 1.00 0.00 O ATOM 884 CB ILE B 116 -12.986 -8.704 3.789 1.00 0.00 C ATOM 885 CG1 ILE B 116 -13.607 -9.018 5.152 1.00 0.00 C ATOM 886 CG2 ILE B 116 -13.660 -7.494 3.160 1.00 0.00 C ATOM 887 CD1 ILE B 116 -13.082 -8.147 6.271 1.00 0.00 C ATOM 0 H ILE B 116 -11.850 -10.882 4.244 1.00 0.00 H new ATOM 0 HA ILE B 116 -14.145 -10.207 2.760 1.00 0.00 H new ATOM 0 HB ILE B 116 -11.931 -8.472 3.936 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.688 -8.898 5.086 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -13.417 -10.063 5.396 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -13.574 -6.640 3.831 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -13.177 -7.260 2.211 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.713 -7.714 2.986 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.566 -8.426 7.207 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -12.005 -8.285 6.365 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -13.296 -7.101 6.049 1.00 0.00 H new ATOM 899 N LEU B 117 -11.233 -9.669 1.326 1.00 0.00 N ATOM 900 CA LEU B 117 -10.583 -9.346 0.062 1.00 0.00 C ATOM 901 C LEU B 117 -11.056 -10.279 -1.048 1.00 0.00 C ATOM 902 O LEU B 117 -11.580 -9.831 -2.068 1.00 0.00 O ATOM 903 CB LEU B 117 -9.063 -9.439 0.209 1.00 0.00 C ATOM 904 CG LEU B 117 -8.246 -9.101 -1.038 1.00 0.00 C ATOM 905 CD1 LEU B 117 -7.578 -7.743 -0.886 1.00 0.00 C ATOM 906 CD2 LEU B 117 -7.208 -10.181 -1.306 1.00 0.00 C ATOM 0 H LEU B 117 -10.597 -9.984 2.059 1.00 0.00 H new ATOM 0 HA LEU B 117 -10.854 -8.325 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -8.754 -8.771 1.013 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -8.810 -10.452 0.521 1.00 0.00 H new ATOM 0 HG LEU B 117 -8.923 -9.057 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -7.001 -7.519 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.340 -6.977 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.914 -7.759 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.636 -9.923 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.534 -10.258 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -7.709 -11.137 -1.460 1.00 0.00 H new ATOM 918 N ALA B 118 -10.871 -11.578 -0.841 1.00 0.00 N ATOM 919 CA ALA B 118 -11.283 -12.575 -1.821 1.00 0.00 C ATOM 920 C ALA B 118 -12.734 -12.368 -2.238 1.00 0.00 C ATOM 921 O ALA B 118 -13.061 -12.402 -3.424 1.00 0.00 O ATOM 922 CB ALA B 118 -11.087 -13.977 -1.264 1.00 0.00 C ATOM 0 H ALA B 118 -10.438 -11.965 -0.003 1.00 0.00 H new ATOM 0 HA ALA B 118 -10.658 -12.457 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -11.399 -14.711 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.035 -14.129 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -11.687 -14.097 -0.362 1.00 0.00 H new ATOM 928 N ALA B 119 -13.603 -12.152 -1.255 1.00 0.00 N ATOM 929 CA ALA B 119 -15.019 -11.937 -1.521 1.00 0.00 C ATOM 930 C ALA B 119 -15.225 -10.812 -2.530 1.00 0.00 C ATOM 931 O ALA B 119 -15.889 -10.994 -3.551 1.00 0.00 O ATOM 932 CB ALA B 119 -15.759 -11.629 -0.226 1.00 0.00 C ATOM 0 H ALA B 119 -13.350 -12.121 -0.267 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.425 -12.853 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -16.816 -11.471 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -15.650 -12.466 0.463 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -15.342 -10.729 0.226 1.00 0.00 H new ATOM 938 N VAL B 120 -14.653 -9.649 -2.236 1.00 0.00 N ATOM 939 CA VAL B 120 -14.773 -8.494 -3.118 1.00 0.00 C ATOM 940 C VAL B 120 -14.309 -8.830 -4.531 1.00 0.00 C ATOM 941 O VAL B 120 -15.010 -8.564 -5.507 1.00 0.00 O ATOM 942 CB VAL B 120 -13.956 -7.299 -2.592 1.00 0.00 C ATOM 943 CG1 VAL B 120 -14.221 -6.059 -3.433 1.00 0.00 C ATOM 944 CG2 VAL B 120 -14.275 -7.039 -1.128 1.00 0.00 C ATOM 0 H VAL B 120 -14.102 -9.482 -1.394 1.00 0.00 H new ATOM 0 HA VAL B 120 -15.828 -8.222 -3.141 1.00 0.00 H new ATOM 0 HB VAL B 120 -12.896 -7.542 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -13.635 -5.225 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -13.937 -6.253 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -15.281 -5.809 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -13.689 -6.191 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -15.337 -6.816 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -14.028 -7.923 -0.539 1.00 0.00 H new ATOM 954 N VAL B 121 -13.122 -9.420 -4.633 1.00 0.00 N ATOM 955 CA VAL B 121 -12.564 -9.795 -5.928 1.00 0.00 C ATOM 956 C VAL B 121 -13.497 -10.745 -6.673 1.00 0.00 C ATOM 957 O VAL B 121 -13.845 -10.508 -7.830 1.00 0.00 O ATOM 958 CB VAL B 121 -11.187 -10.466 -5.772 1.00 0.00 C ATOM 959 CG1 VAL B 121 -10.639 -10.884 -7.128 1.00 0.00 C ATOM 960 CG2 VAL B 121 -10.218 -9.532 -5.061 1.00 0.00 C ATOM 0 H VAL B 121 -12.529 -9.649 -3.836 1.00 0.00 H new ATOM 0 HA VAL B 121 -12.450 -8.876 -6.502 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.306 -11.363 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -9.665 -11.356 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.325 -11.590 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -10.533 -10.005 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.250 -10.022 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -10.102 -8.617 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -10.607 -9.288 -4.073 1.00 0.00 H new ATOM 970 N VAL B 122 -13.899 -11.819 -6.002 1.00 0.00 N ATOM 971 CA VAL B 122 -14.791 -12.804 -6.601 1.00 0.00 C ATOM 972 C VAL B 122 -16.027 -12.138 -7.193 1.00 0.00 C ATOM 973 O VAL B 122 -16.255 -12.188 -8.401 1.00 0.00 O ATOM 974 CB VAL B 122 -15.234 -13.859 -5.571 1.00 0.00 C ATOM 975 CG1 VAL B 122 -16.238 -14.822 -6.188 1.00 0.00 C ATOM 976 CG2 VAL B 122 -14.029 -14.611 -5.027 1.00 0.00 C ATOM 0 H VAL B 122 -13.621 -12.029 -5.043 1.00 0.00 H new ATOM 0 HA VAL B 122 -14.231 -13.296 -7.396 1.00 0.00 H new ATOM 0 HB VAL B 122 -15.721 -13.347 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -16.539 -15.560 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.114 -14.268 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -15.781 -15.329 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -14.361 -15.353 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.512 -15.111 -5.846 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.349 -13.909 -4.544 1.00 0.00 H new ATOM 986 N GLY B 123 -16.826 -11.512 -6.332 1.00 0.00 N ATOM 987 CA GLY B 123 -18.031 -10.844 -6.789 1.00 0.00 C ATOM 988 C GLY B 123 -17.748 -9.801 -7.852 1.00 0.00 C ATOM 989 O GLY B 123 -18.436 -9.740 -8.872 1.00 0.00 O ATOM 0 H GLY B 123 -16.660 -11.456 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -18.725 -11.585 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -18.524 -10.369 -5.940 1.00 0.00 H new ATOM 993 N LEU B 124 -16.733 -8.977 -7.614 1.00 0.00 N ATOM 994 CA LEU B 124 -16.362 -7.930 -8.560 1.00 0.00 C ATOM 995 C LEU B 124 -16.127 -8.509 -9.951 1.00 0.00 C ATOM 996 O LEU B 124 -16.757 -8.091 -10.923 1.00 0.00 O ATOM 997 CB LEU B 124 -15.104 -7.205 -8.078 1.00 0.00 C ATOM 998 CG LEU B 124 -14.694 -5.968 -8.879 1.00 0.00 C ATOM 999 CD1 LEU B 124 -14.840 -4.712 -8.033 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -13.266 -6.109 -9.385 1.00 0.00 C ATOM 0 H LEU B 124 -16.153 -9.013 -6.776 1.00 0.00 H new ATOM 0 HA LEU B 124 -17.186 -7.219 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -15.255 -6.908 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.274 -7.912 -8.089 1.00 0.00 H new ATOM 0 HG LEU B 124 -15.356 -5.881 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -14.544 -3.842 -8.619 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -15.878 -4.603 -7.720 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -14.202 -4.790 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -12.992 -5.220 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -12.589 -6.222 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -13.193 -6.986 -10.027 1.00 0.00 H new