USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 333 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 Set 1.1: A 173 HIS : no HE2:sc= -0.474! C(o=-0.28!,f=-7.2!) USER MOD Set 1.2: B 172 SER OG : rot -117:sc= 0.193 USER MOD Set 2.1: A 172 SER OG : rot -116:sc= 0.139 USER MOD Set 2.2: B 173 HIS : no HE2:sc= -1.12! C(o=-0.98!,f=-8.5!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 30:sc= -0.0123 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 208 N PRO A 167 6.303 8.491 2.185 1.00 0.73 N ATOM 209 CA PRO A 167 4.996 8.998 1.755 1.00 0.67 C ATOM 210 C PRO A 167 4.382 8.148 0.648 1.00 0.55 C ATOM 211 O PRO A 167 3.166 7.971 0.590 1.00 0.58 O ATOM 212 CB PRO A 167 5.312 10.402 1.242 1.00 0.86 C ATOM 213 CG PRO A 167 6.728 10.330 0.790 1.00 0.98 C ATOM 214 CD PRO A 167 7.411 9.338 1.694 1.00 0.91 C ATOM 0 HA PRO A 167 4.265 8.981 2.563 1.00 0.67 H new ATOM 0 HB2 PRO A 167 4.649 10.683 0.424 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.184 11.148 2.026 1.00 0.86 H new ATOM 0 HG2 PRO A 167 6.788 10.013 -0.251 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.206 11.307 0.853 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.155 8.751 1.155 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.929 9.834 2.514 1.00 0.91 H new ATOM 222 N SER A 168 5.232 7.624 -0.229 1.00 0.55 N ATOM 223 CA SER A 168 4.774 6.790 -1.334 1.00 0.52 C ATOM 224 C SER A 168 3.940 5.620 -0.823 1.00 0.39 C ATOM 225 O SER A 168 2.858 5.341 -1.341 1.00 0.33 O ATOM 226 CB SER A 168 5.968 6.269 -2.135 1.00 0.66 C ATOM 227 OG SER A 168 6.728 7.338 -2.671 1.00 1.47 O ATOM 0 H SER A 168 6.242 7.762 -0.196 1.00 0.55 H new ATOM 0 HA SER A 168 4.148 7.402 -1.984 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.600 5.655 -1.494 1.00 0.66 H new ATOM 0 HB3 SER A 168 5.616 5.628 -2.943 1.00 0.66 H new ATOM 0 HG SER A 168 7.486 6.979 -3.177 1.00 1.47 H new ATOM 233 N LEU A 169 4.453 4.935 0.194 1.00 0.40 N ATOM 234 CA LEU A 169 3.752 3.796 0.777 1.00 0.36 C ATOM 235 C LEU A 169 2.416 4.230 1.371 1.00 0.28 C ATOM 236 O LEU A 169 1.390 3.589 1.146 1.00 0.26 O ATOM 237 CB LEU A 169 4.614 3.131 1.853 1.00 0.47 C ATOM 238 CG LEU A 169 5.926 2.526 1.350 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.704 1.906 2.502 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.655 1.490 0.269 1.00 0.62 C ATOM 0 H LEU A 169 5.350 5.148 0.631 1.00 0.40 H new ATOM 0 HA LEU A 169 3.560 3.074 -0.016 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.843 3.870 2.621 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.029 2.345 2.331 1.00 0.47 H new ATOM 0 HG LEU A 169 6.530 3.324 0.918 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.634 1.481 2.126 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.929 2.673 3.243 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.106 1.120 2.963 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.599 1.070 -0.077 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.031 0.694 0.676 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.140 1.963 -0.567 1.00 0.62 H new ATOM 252 N LEU A 170 2.435 5.321 2.132 1.00 0.31 N ATOM 253 CA LEU A 170 1.222 5.838 2.752 1.00 0.33 C ATOM 254 C LEU A 170 0.123 6.022 1.712 1.00 0.26 C ATOM 255 O LEU A 170 -1.005 5.564 1.896 1.00 0.27 O ATOM 256 CB LEU A 170 1.502 7.170 3.453 1.00 0.42 C ATOM 257 CG LEU A 170 2.459 7.086 4.644 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.644 8.456 5.277 1.00 0.63 C ATOM 259 CD2 LEU A 170 1.941 6.089 5.670 1.00 0.60 C ATOM 0 H LEU A 170 3.276 5.862 2.333 1.00 0.31 H new ATOM 0 HA LEU A 170 0.886 5.113 3.493 1.00 0.33 H new ATOM 0 HB2 LEU A 170 1.914 7.867 2.724 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.556 7.589 3.795 1.00 0.42 H new ATOM 0 HG LEU A 170 3.429 6.741 4.285 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.328 8.377 6.122 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.057 9.145 4.540 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.680 8.830 5.623 1.00 0.63 H new ATOM 0 HD21 LEU A 170 2.632 6.040 6.511 1.00 0.60 H new ATOM 0 HD22 LEU A 170 0.961 6.408 6.024 1.00 0.60 H new ATOM 0 HD23 LEU A 170 1.858 5.104 5.211 1.00 0.60 H new ATOM 271 N LEU A 171 0.462 6.692 0.616 1.00 0.23 N ATOM 272 CA LEU A 171 -0.493 6.935 -0.457 1.00 0.22 C ATOM 273 C LEU A 171 -1.049 5.620 -0.995 1.00 0.18 C ATOM 274 O LEU A 171 -2.255 5.475 -1.181 1.00 0.21 O ATOM 275 CB LEU A 171 0.167 7.725 -1.590 1.00 0.26 C ATOM 276 CG LEU A 171 0.658 9.123 -1.208 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.367 9.778 -2.382 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.503 9.986 -0.739 1.00 0.40 C ATOM 0 H LEU A 171 1.392 7.076 0.448 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.318 7.520 -0.050 1.00 0.22 H new ATOM 0 HB2 LEU A 171 1.013 7.151 -1.967 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.546 7.819 -2.409 1.00 0.26 H new ATOM 0 HG LEU A 171 1.369 9.025 -0.387 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.709 10.771 -2.092 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.223 9.170 -2.675 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.678 9.863 -3.222 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.135 10.977 -0.471 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.237 10.075 -1.540 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.970 9.525 0.131 1.00 0.40 H new ATOM 290 N SER A 172 -0.163 4.660 -1.239 1.00 0.16 N ATOM 291 CA SER A 172 -0.573 3.362 -1.759 1.00 0.16 C ATOM 292 C SER A 172 -1.633 2.719 -0.869 1.00 0.15 C ATOM 293 O SER A 172 -2.702 2.332 -1.339 1.00 0.19 O ATOM 294 CB SER A 172 0.637 2.433 -1.870 1.00 0.19 C ATOM 295 OG SER A 172 1.551 2.899 -2.847 1.00 0.23 O ATOM 0 H SER A 172 0.841 4.756 -1.085 1.00 0.16 H new ATOM 0 HA SER A 172 -1.004 3.519 -2.748 1.00 0.16 H new ATOM 0 HB2 SER A 172 1.137 2.365 -0.904 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.305 1.428 -2.129 1.00 0.19 H new ATOM 0 HG SER A 172 1.617 2.244 -3.573 1.00 0.23 H new ATOM 301 N HIS A 173 -1.330 2.612 0.421 1.00 0.13 N ATOM 302 CA HIS A 173 -2.257 2.017 1.377 1.00 0.17 C ATOM 303 C HIS A 173 -3.541 2.833 1.482 1.00 0.22 C ATOM 304 O HIS A 173 -4.637 2.297 1.330 1.00 0.27 O ATOM 305 CB HIS A 173 -1.598 1.898 2.752 1.00 0.20 C ATOM 306 CG HIS A 173 -0.427 0.962 2.774 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.872 1.374 2.564 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.366 -0.375 2.983 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.680 0.331 2.641 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.954 -0.742 2.895 1.00 0.27 N ATOM 0 H HIS A 173 -0.450 2.929 0.828 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.515 1.021 1.017 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.270 2.886 3.076 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.340 1.556 3.474 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.164 2.334 2.378 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.201 -1.031 3.182 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.753 0.353 2.517 1.00 0.29 H new ATOM 319 N LEU A 174 -3.398 4.132 1.731 1.00 0.23 N ATOM 320 CA LEU A 174 -4.553 5.015 1.863 1.00 0.29 C ATOM 321 C LEU A 174 -5.392 5.025 0.589 1.00 0.29 C ATOM 322 O LEU A 174 -6.601 4.797 0.631 1.00 0.34 O ATOM 323 CB LEU A 174 -4.099 6.437 2.195 1.00 0.32 C ATOM 324 CG LEU A 174 -3.357 6.589 3.523 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.882 8.022 3.707 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.249 6.170 4.682 1.00 0.47 C ATOM 0 H LEU A 174 -2.497 4.595 1.845 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.171 4.634 2.676 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.452 6.791 1.393 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.974 7.087 2.209 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.484 5.937 3.507 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.356 8.112 4.657 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.208 8.289 2.893 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.741 8.693 3.703 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.705 6.284 5.620 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.140 6.797 4.701 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.542 5.127 4.557 1.00 0.47 H new ATOM 338 N LEU A 175 -4.746 5.290 -0.543 1.00 0.26 N ATOM 339 CA LEU A 175 -5.446 5.322 -1.822 1.00 0.28 C ATOM 340 C LEU A 175 -6.219 4.027 -2.034 1.00 0.27 C ATOM 341 O LEU A 175 -7.359 4.037 -2.500 1.00 0.29 O ATOM 342 CB LEU A 175 -4.459 5.541 -2.972 1.00 0.30 C ATOM 343 CG LEU A 175 -3.843 6.940 -3.040 1.00 0.33 C ATOM 344 CD1 LEU A 175 -2.866 7.038 -4.202 1.00 0.37 C ATOM 345 CD2 LEU A 175 -4.932 7.996 -3.168 1.00 0.41 C ATOM 0 H LEU A 175 -3.746 5.484 -0.600 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.150 6.154 -1.807 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.655 4.811 -2.884 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -4.971 5.340 -3.913 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.295 7.120 -2.115 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.438 8.040 -4.234 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.068 6.307 -4.069 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.390 6.837 -5.136 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.476 8.985 -3.215 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.507 7.818 -4.077 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.594 7.942 -2.304 1.00 0.41 H new ATOM 357 N ALA A 176 -5.589 2.912 -1.684 1.00 0.26 N ATOM 358 CA ALA A 176 -6.218 1.608 -1.822 1.00 0.27 C ATOM 359 C ALA A 176 -7.517 1.558 -1.024 1.00 0.26 C ATOM 360 O ALA A 176 -8.540 1.072 -1.511 1.00 0.27 O ATOM 361 CB ALA A 176 -5.264 0.517 -1.369 1.00 0.27 C ATOM 0 H ALA A 176 -4.643 2.887 -1.303 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.458 1.441 -2.872 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.745 -0.455 -1.477 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.362 0.545 -1.981 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.999 0.677 -0.324 1.00 0.27 H new ATOM 367 N ILE A 177 -7.473 2.068 0.206 1.00 0.27 N ATOM 368 CA ILE A 177 -8.655 2.096 1.060 1.00 0.28 C ATOM 369 C ILE A 177 -9.792 2.820 0.348 1.00 0.26 C ATOM 370 O ILE A 177 -10.940 2.375 0.373 1.00 0.26 O ATOM 371 CB ILE A 177 -8.372 2.794 2.411 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.278 2.051 3.181 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.642 2.878 3.248 1.00 0.33 C ATOM 374 CD1 ILE A 177 -7.630 0.617 3.497 1.00 0.62 C ATOM 0 H ILE A 177 -6.635 2.465 0.630 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.937 1.063 1.264 1.00 0.28 H new ATOM 0 HB ILE A 177 -8.025 3.807 2.205 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -6.357 2.070 2.598 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -7.077 2.581 4.112 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.422 3.372 4.194 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.397 3.449 2.707 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -10.017 1.873 3.442 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.809 0.153 4.043 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -8.533 0.590 4.107 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.802 0.072 2.569 1.00 0.62 H new ATOM 386 N GLY A 178 -9.459 3.938 -0.289 1.00 0.26 N ATOM 387 CA GLY A 178 -10.455 4.703 -1.011 1.00 0.27 C ATOM 388 C GLY A 178 -11.150 3.868 -2.067 1.00 0.26 C ATOM 389 O GLY A 178 -12.374 3.906 -2.194 1.00 0.28 O ATOM 0 H GLY A 178 -8.516 4.327 -0.317 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -11.194 5.091 -0.310 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.981 5.564 -1.482 1.00 0.27 H new ATOM 393 N LEU A 179 -10.364 3.112 -2.828 1.00 0.25 N ATOM 394 CA LEU A 179 -10.913 2.255 -3.871 1.00 0.27 C ATOM 395 C LEU A 179 -11.976 1.328 -3.294 1.00 0.26 C ATOM 396 O LEU A 179 -13.090 1.246 -3.811 1.00 0.28 O ATOM 397 CB LEU A 179 -9.804 1.430 -4.527 1.00 0.33 C ATOM 398 CG LEU A 179 -8.673 2.248 -5.150 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.723 1.344 -5.920 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.236 3.331 -6.057 1.00 0.43 C ATOM 0 H LEU A 179 -9.348 3.076 -2.742 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.372 2.891 -4.628 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.379 0.761 -3.779 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.247 0.803 -5.300 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.113 2.729 -4.348 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -6.924 1.943 -6.357 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.294 0.606 -5.242 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.269 0.834 -6.714 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.417 3.904 -6.492 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -9.820 2.871 -6.854 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -9.875 3.996 -5.476 1.00 0.43 H new ATOM 412 N GLY A 180 -11.624 0.632 -2.218 1.00 0.25 N ATOM 413 CA GLY A 180 -12.561 -0.277 -1.587 1.00 0.27 C ATOM 414 C GLY A 180 -13.875 0.398 -1.244 1.00 0.26 C ATOM 415 O GLY A 180 -14.947 -0.168 -1.457 1.00 0.29 O ATOM 0 H GLY A 180 -10.708 0.681 -1.773 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.751 -1.119 -2.252 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.115 -0.682 -0.679 1.00 0.27 H new ATOM 419 N ILE A 181 -13.790 1.612 -0.709 1.00 0.28 N ATOM 420 CA ILE A 181 -14.979 2.369 -0.340 1.00 0.34 C ATOM 421 C ILE A 181 -15.851 2.642 -1.562 1.00 0.32 C ATOM 422 O ILE A 181 -17.066 2.447 -1.527 1.00 0.36 O ATOM 423 CB ILE A 181 -14.607 3.709 0.325 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.745 3.467 1.565 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.860 4.491 0.693 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.448 2.671 2.644 1.00 0.89 C ATOM 0 H ILE A 181 -12.910 2.092 -0.522 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.536 1.763 0.374 1.00 0.34 H new ATOM 0 HB ILE A 181 -14.032 4.299 -0.388 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.837 2.941 1.270 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.437 4.428 1.976 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.576 5.434 1.161 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.440 4.693 -0.207 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.462 3.907 1.389 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.778 2.538 3.493 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -15.341 3.206 2.967 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.732 1.695 2.250 1.00 0.89 H new ATOM 438 N TYR A 182 -15.221 3.095 -2.641 1.00 0.31 N ATOM 439 CA TYR A 182 -15.936 3.394 -3.875 1.00 0.35 C ATOM 440 C TYR A 182 -16.697 2.166 -4.366 1.00 0.36 C ATOM 441 O TYR A 182 -17.861 2.258 -4.754 1.00 0.42 O ATOM 442 CB TYR A 182 -14.959 3.870 -4.951 1.00 0.39 C ATOM 443 CG TYR A 182 -15.635 4.344 -6.217 1.00 0.51 C ATOM 444 CD1 TYR A 182 -15.942 3.454 -7.239 1.00 1.43 C ATOM 445 CD2 TYR A 182 -15.968 5.682 -6.388 1.00 1.19 C ATOM 446 CE1 TYR A 182 -16.561 3.886 -8.397 1.00 1.56 C ATOM 447 CE2 TYR A 182 -16.587 6.120 -7.543 1.00 1.21 C ATOM 448 CZ TYR A 182 -16.882 5.218 -8.544 1.00 0.81 C ATOM 449 OH TYR A 182 -17.497 5.651 -9.695 1.00 0.98 O ATOM 0 H TYR A 182 -14.216 3.263 -2.685 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.654 4.189 -3.672 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.354 4.682 -4.547 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.277 3.056 -5.196 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -15.693 2.409 -7.127 1.00 1.43 H new ATOM 0 HD2 TYR A 182 -15.739 6.391 -5.606 1.00 1.19 H new ATOM 0 HE1 TYR A 182 -16.792 3.183 -9.183 1.00 1.56 H new ATOM 0 HE2 TYR A 182 -16.839 7.164 -7.661 1.00 1.21 H new ATOM 0 HH TYR A 182 -18.046 4.928 -10.064 1.00 0.98 H new ATOM 459 N ILE A 183 -16.026 1.020 -4.354 1.00 0.35 N ATOM 460 CA ILE A 183 -16.639 -0.228 -4.789 1.00 0.43 C ATOM 461 C ILE A 183 -17.819 -0.597 -3.895 1.00 0.45 C ATOM 462 O ILE A 183 -18.902 -0.922 -4.381 1.00 0.55 O ATOM 463 CB ILE A 183 -15.620 -1.384 -4.787 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.432 -1.046 -5.688 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.280 -2.680 -5.238 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.393 -2.144 -5.756 1.00 0.83 C ATOM 0 H ILE A 183 -15.057 0.930 -4.048 1.00 0.35 H new ATOM 0 HA ILE A 183 -16.994 -0.072 -5.808 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.255 -1.522 -3.769 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -14.797 -0.839 -6.694 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -13.960 -0.132 -5.326 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -15.545 -3.485 -5.230 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.096 -2.928 -4.560 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -16.672 -2.557 -6.248 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -12.580 -1.835 -6.413 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.000 -2.336 -4.757 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -13.850 -3.053 -6.147 1.00 0.83 H new ATOM 478 N GLY A 184 -17.600 -0.543 -2.585 1.00 0.40 N ATOM 479 CA GLY A 184 -18.649 -0.876 -1.639 1.00 0.46 C ATOM 480 C GLY A 184 -19.847 0.050 -1.735 1.00 0.52 C ATOM 481 O GLY A 184 -20.982 -0.406 -1.865 1.00 0.64 O ATOM 0 H GLY A 184 -16.712 -0.274 -2.161 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -18.974 -1.902 -1.812 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.245 -0.836 -0.627 1.00 0.46 H new ATOM 485 N ARG A 185 -19.596 1.355 -1.670 1.00 0.48 N ATOM 486 CA ARG A 185 -20.670 2.343 -1.743 1.00 0.59 C ATOM 487 C ARG A 185 -21.440 2.225 -3.056 1.00 0.67 C ATOM 488 O ARG A 185 -22.590 2.652 -3.151 1.00 0.83 O ATOM 489 CB ARG A 185 -20.108 3.759 -1.581 1.00 0.59 C ATOM 490 CG ARG A 185 -19.096 4.148 -2.643 1.00 0.51 C ATOM 491 CD ARG A 185 -19.763 4.784 -3.852 1.00 0.85 C ATOM 492 NE ARG A 185 -20.485 6.005 -3.500 1.00 1.32 N ATOM 493 CZ ARG A 185 -20.990 6.847 -4.398 1.00 1.98 C ATOM 494 NH1 ARG A 185 -20.854 6.597 -5.692 1.00 2.27 N ATOM 495 NH2 ARG A 185 -21.628 7.939 -4.001 1.00 2.54 N ATOM 0 H ARG A 185 -18.662 1.752 -1.567 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.363 2.145 -0.926 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.933 4.471 -1.602 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.640 3.843 -0.600 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.373 4.844 -2.218 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.541 3.264 -2.957 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -19.008 5.013 -4.604 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.454 4.071 -4.302 1.00 0.85 H new ATOM 0 HE ARG A 185 -20.609 6.224 -2.511 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -20.362 5.759 -6.000 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -21.241 7.243 -6.380 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -21.733 8.135 -3.005 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -22.014 8.583 -4.691 1.00 2.54 H new ATOM 509 N ARG A 186 -20.798 1.647 -4.067 1.00 0.63 N ATOM 510 CA ARG A 186 -21.427 1.469 -5.371 1.00 0.74 C ATOM 511 C ARG A 186 -22.346 0.250 -5.379 1.00 0.85 C ATOM 512 O ARG A 186 -23.253 0.151 -6.205 1.00 1.06 O ATOM 513 CB ARG A 186 -20.361 1.324 -6.458 1.00 0.80 C ATOM 514 CG ARG A 186 -19.750 2.647 -6.891 1.00 1.24 C ATOM 515 CD ARG A 186 -20.765 3.513 -7.619 1.00 1.58 C ATOM 516 NE ARG A 186 -20.196 4.788 -8.043 1.00 2.38 N ATOM 517 CZ ARG A 186 -20.742 5.565 -8.973 1.00 2.95 C ATOM 518 NH1 ARG A 186 -21.856 5.185 -9.585 1.00 2.93 N ATOM 519 NH2 ARG A 186 -20.175 6.720 -9.294 1.00 3.95 N ATOM 0 H ARG A 186 -19.843 1.294 -4.008 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.030 2.353 -5.575 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -19.569 0.670 -6.094 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -20.803 0.836 -7.326 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.375 3.180 -6.017 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -18.896 2.460 -7.542 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -21.140 2.976 -8.490 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -21.618 3.697 -6.966 1.00 1.58 H new ATOM 0 HE ARG A 186 -19.331 5.100 -7.601 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -22.294 4.296 -9.342 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -22.275 5.781 -10.299 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -19.317 7.014 -8.827 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -20.596 7.314 -10.008 1.00 3.95 H new ATOM 775 N PRO B 167 7.178 -8.248 -3.480 1.00 0.73 N ATOM 776 CA PRO B 167 5.897 -8.901 -3.193 1.00 0.63 C ATOM 777 C PRO B 167 5.095 -8.162 -2.127 1.00 0.56 C ATOM 778 O PRO B 167 3.867 -8.116 -2.181 1.00 0.69 O ATOM 779 CB PRO B 167 6.300 -10.297 -2.683 1.00 0.87 C ATOM 780 CG PRO B 167 7.777 -10.400 -2.895 1.00 1.07 C ATOM 781 CD PRO B 167 8.295 -8.993 -2.892 1.00 0.96 C ATOM 0 HA PRO B 167 5.254 -8.926 -4.073 1.00 0.63 H new ATOM 0 HB2 PRO B 167 6.047 -10.416 -1.629 1.00 0.87 H new ATOM 0 HB3 PRO B 167 5.772 -11.079 -3.228 1.00 0.87 H new ATOM 0 HG2 PRO B 167 8.244 -10.989 -2.106 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.002 -10.896 -3.839 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.529 -8.648 -1.885 1.00 0.96 H new ATOM 0 HD3 PRO B 167 9.206 -8.894 -3.482 1.00 0.96 H new ATOM 789 N SER B 168 5.798 -7.586 -1.157 1.00 0.55 N ATOM 790 CA SER B 168 5.152 -6.852 -0.074 1.00 0.55 C ATOM 791 C SER B 168 4.246 -5.752 -0.617 1.00 0.44 C ATOM 792 O SER B 168 3.138 -5.546 -0.121 1.00 0.41 O ATOM 793 CB SER B 168 6.203 -6.248 0.858 1.00 0.72 C ATOM 794 OG SER B 168 7.057 -5.360 0.157 1.00 1.59 O ATOM 0 H SER B 168 6.816 -7.613 -1.099 1.00 0.55 H new ATOM 0 HA SER B 168 4.537 -7.556 0.487 1.00 0.55 H new ATOM 0 HB2 SER B 168 5.709 -5.716 1.672 1.00 0.72 H new ATOM 0 HB3 SER B 168 6.794 -7.045 1.310 1.00 0.72 H new ATOM 0 HG SER B 168 7.719 -4.986 0.776 1.00 1.59 H new ATOM 800 N LEU B 169 4.722 -5.045 -1.636 1.00 0.46 N ATOM 801 CA LEU B 169 3.956 -3.960 -2.239 1.00 0.45 C ATOM 802 C LEU B 169 2.602 -4.451 -2.746 1.00 0.33 C ATOM 803 O LEU B 169 1.565 -3.868 -2.433 1.00 0.31 O ATOM 804 CB LEU B 169 4.744 -3.324 -3.385 1.00 0.60 C ATOM 805 CG LEU B 169 6.065 -2.669 -2.974 1.00 0.77 C ATOM 806 CD1 LEU B 169 6.739 -2.026 -4.176 1.00 1.09 C ATOM 807 CD2 LEU B 169 5.829 -1.639 -1.878 1.00 0.77 C ATOM 0 H LEU B 169 5.635 -5.204 -2.062 1.00 0.46 H new ATOM 0 HA LEU B 169 3.779 -3.210 -1.468 1.00 0.45 H new ATOM 0 HB2 LEU B 169 4.952 -4.090 -4.132 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.117 -2.573 -3.865 1.00 0.60 H new ATOM 0 HG LEU B 169 6.727 -3.442 -2.584 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.676 -1.566 -3.864 1.00 1.09 H new ATOM 0 HD12 LEU B 169 6.941 -2.787 -4.930 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.083 -1.264 -4.597 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.778 -1.183 -1.597 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.150 -0.869 -2.243 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.390 -2.127 -1.008 1.00 0.77 H new ATOM 819 N LEU B 170 2.616 -5.528 -3.526 1.00 0.34 N ATOM 820 CA LEU B 170 1.384 -6.084 -4.077 1.00 0.36 C ATOM 821 C LEU B 170 0.403 -6.451 -2.969 1.00 0.28 C ATOM 822 O LEU B 170 -0.788 -6.153 -3.058 1.00 0.32 O ATOM 823 CB LEU B 170 1.680 -7.313 -4.941 1.00 0.47 C ATOM 824 CG LEU B 170 2.337 -7.021 -6.294 1.00 0.59 C ATOM 825 CD1 LEU B 170 3.702 -6.380 -6.106 1.00 0.60 C ATOM 826 CD2 LEU B 170 2.456 -8.297 -7.113 1.00 0.72 C ATOM 0 H LEU B 170 3.463 -6.031 -3.790 1.00 0.34 H new ATOM 0 HA LEU B 170 0.928 -5.317 -4.702 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.329 -7.984 -4.378 1.00 0.47 H new ATOM 0 HB3 LEU B 170 0.746 -7.846 -5.117 1.00 0.47 H new ATOM 0 HG LEU B 170 1.704 -6.318 -6.835 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.148 -6.182 -7.081 1.00 0.60 H new ATOM 0 HD12 LEU B 170 3.592 -5.443 -5.560 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.346 -7.055 -5.542 1.00 0.60 H new ATOM 0 HD21 LEU B 170 2.925 -8.072 -8.071 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.065 -9.021 -6.572 1.00 0.72 H new ATOM 0 HD23 LEU B 170 1.463 -8.714 -7.284 1.00 0.72 H new ATOM 838 N LEU B 171 0.908 -7.099 -1.925 1.00 0.24 N ATOM 839 CA LEU B 171 0.072 -7.501 -0.800 1.00 0.26 C ATOM 840 C LEU B 171 -0.539 -6.283 -0.115 1.00 0.23 C ATOM 841 O LEU B 171 -1.712 -6.290 0.258 1.00 0.29 O ATOM 842 CB LEU B 171 0.890 -8.312 0.207 1.00 0.32 C ATOM 843 CG LEU B 171 1.412 -9.653 -0.312 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.245 -10.348 0.753 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.256 -10.540 -0.753 1.00 0.50 C ATOM 0 H LEU B 171 1.891 -7.357 -1.834 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.737 -8.123 -1.184 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.739 -7.710 0.531 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.275 -8.495 1.088 1.00 0.32 H new ATOM 0 HG LEU B 171 2.049 -9.465 -1.176 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.608 -11.300 0.367 1.00 0.47 H new ATOM 0 HD12 LEU B 171 3.093 -9.718 1.020 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.632 -10.525 1.637 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.645 -11.490 -1.119 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.407 -10.722 0.093 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.300 -10.044 -1.549 1.00 0.50 H new ATOM 857 N SER B 172 0.265 -5.237 0.046 1.00 0.18 N ATOM 858 CA SER B 172 -0.195 -4.012 0.689 1.00 0.19 C ATOM 859 C SER B 172 -1.404 -3.425 -0.034 1.00 0.14 C ATOM 860 O SER B 172 -2.433 -3.146 0.582 1.00 0.18 O ATOM 861 CB SER B 172 0.935 -2.982 0.733 1.00 0.23 C ATOM 862 OG SER B 172 1.955 -3.380 1.633 1.00 0.31 O ATOM 0 H SER B 172 1.238 -5.213 -0.260 1.00 0.18 H new ATOM 0 HA SER B 172 -0.496 -4.262 1.706 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.355 -2.856 -0.265 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.537 -2.014 1.036 1.00 0.23 H new ATOM 0 HG SER B 172 2.020 -2.729 2.363 1.00 0.31 H new ATOM 868 N HIS B 173 -1.275 -3.240 -1.345 1.00 0.12 N ATOM 869 CA HIS B 173 -2.360 -2.679 -2.146 1.00 0.15 C ATOM 870 C HIS B 173 -3.591 -3.576 -2.107 1.00 0.20 C ATOM 871 O HIS B 173 -4.690 -3.122 -1.794 1.00 0.25 O ATOM 872 CB HIS B 173 -1.906 -2.488 -3.595 1.00 0.19 C ATOM 873 CG HIS B 173 -0.747 -1.550 -3.745 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.566 -1.970 -3.762 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.712 -0.205 -3.895 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.359 -0.922 -3.913 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.608 0.161 -3.997 1.00 0.28 N ATOM 0 H HIS B 173 -0.434 -3.469 -1.874 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.624 -1.711 -1.720 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.633 -3.458 -4.012 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.744 -2.113 -4.182 1.00 0.19 H new ATOM 0 HD1 HIS B 173 0.877 -2.937 -3.672 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.564 0.458 -3.928 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.438 -0.948 -3.960 1.00 0.30 H new ATOM 886 N LEU B 174 -3.402 -4.854 -2.420 1.00 0.21 N ATOM 887 CA LEU B 174 -4.504 -5.807 -2.424 1.00 0.28 C ATOM 888 C LEU B 174 -5.214 -5.826 -1.075 1.00 0.28 C ATOM 889 O LEU B 174 -6.436 -5.697 -1.006 1.00 0.31 O ATOM 890 CB LEU B 174 -3.997 -7.208 -2.773 1.00 0.32 C ATOM 891 CG LEU B 174 -3.428 -7.353 -4.186 1.00 0.34 C ATOM 892 CD1 LEU B 174 -3.081 -8.803 -4.476 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.417 -6.824 -5.215 1.00 0.44 C ATOM 0 H LEU B 174 -2.498 -5.252 -2.674 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.220 -5.492 -3.183 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.226 -7.489 -2.056 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.817 -7.916 -2.653 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.514 -6.763 -4.251 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.678 -8.886 -5.485 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -2.337 -9.150 -3.759 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.979 -9.416 -4.392 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.996 -6.935 -6.214 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -5.348 -7.388 -5.148 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.616 -5.770 -5.020 1.00 0.44 H new ATOM 905 N LEU B 175 -4.444 -5.986 -0.006 1.00 0.27 N ATOM 906 CA LEU B 175 -5.006 -6.014 1.339 1.00 0.30 C ATOM 907 C LEU B 175 -5.711 -4.700 1.658 1.00 0.27 C ATOM 908 O LEU B 175 -6.795 -4.690 2.244 1.00 0.28 O ATOM 909 CB LEU B 175 -3.906 -6.283 2.369 1.00 0.33 C ATOM 910 CG LEU B 175 -3.270 -7.672 2.290 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.128 -7.794 3.287 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.314 -8.750 2.539 1.00 0.46 C ATOM 0 H LEU B 175 -3.431 -6.098 -0.044 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.739 -6.819 1.385 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.123 -5.534 2.246 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.323 -6.147 3.367 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.866 -7.809 1.287 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -1.688 -8.789 3.216 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.369 -7.045 3.064 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.508 -7.636 4.296 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -3.845 -9.732 2.479 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -4.747 -8.615 3.530 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.099 -8.677 1.787 1.00 0.46 H new ATOM 924 N ALA B 176 -5.090 -3.591 1.268 1.00 0.25 N ATOM 925 CA ALA B 176 -5.658 -2.273 1.514 1.00 0.23 C ATOM 926 C ALA B 176 -7.024 -2.132 0.848 1.00 0.20 C ATOM 927 O ALA B 176 -8.010 -1.776 1.498 1.00 0.20 O ATOM 928 CB ALA B 176 -4.708 -1.193 1.022 1.00 0.24 C ATOM 0 H ALA B 176 -4.194 -3.580 0.781 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.797 -2.155 2.589 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.143 -0.212 1.211 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.758 -1.276 1.550 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.541 -1.315 -0.048 1.00 0.24 H new ATOM 934 N ILE B 177 -7.086 -2.421 -0.450 1.00 0.20 N ATOM 935 CA ILE B 177 -8.344 -2.329 -1.182 1.00 0.20 C ATOM 936 C ILE B 177 -9.418 -3.152 -0.481 1.00 0.20 C ATOM 937 O ILE B 177 -10.558 -2.713 -0.341 1.00 0.20 O ATOM 938 CB ILE B 177 -8.196 -2.810 -2.642 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.164 -1.956 -3.381 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.536 -2.757 -3.362 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.913 -2.409 -4.803 1.00 0.31 C ATOM 0 H ILE B 177 -6.287 -2.718 -1.011 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.635 -1.279 -1.201 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.851 -3.844 -2.630 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.503 -0.920 -3.392 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.224 -1.978 -2.830 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.411 -3.100 -4.389 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.250 -3.401 -2.849 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.908 -1.732 -3.364 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -6.171 -1.759 -5.266 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.544 -3.435 -4.798 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.843 -2.360 -5.370 1.00 0.31 H new ATOM 953 N GLY B 178 -9.040 -4.348 -0.039 1.00 0.23 N ATOM 954 CA GLY B 178 -9.978 -5.207 0.655 1.00 0.26 C ATOM 955 C GLY B 178 -10.602 -4.507 1.845 1.00 0.24 C ATOM 956 O GLY B 178 -11.809 -4.600 2.068 1.00 0.26 O ATOM 0 H GLY B 178 -8.103 -4.735 -0.150 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.762 -5.522 -0.034 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.466 -6.109 0.990 1.00 0.26 H new ATOM 960 N LEU B 179 -9.774 -3.801 2.610 1.00 0.25 N ATOM 961 CA LEU B 179 -10.249 -3.069 3.776 1.00 0.28 C ATOM 962 C LEU B 179 -11.346 -2.091 3.377 1.00 0.25 C ATOM 963 O LEU B 179 -12.419 -2.062 3.980 1.00 0.29 O ATOM 964 CB LEU B 179 -9.097 -2.305 4.433 1.00 0.33 C ATOM 965 CG LEU B 179 -7.958 -3.172 4.967 1.00 0.39 C ATOM 966 CD1 LEU B 179 -6.861 -2.300 5.561 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.480 -4.156 6.002 1.00 0.43 C ATOM 0 H LEU B 179 -8.771 -3.721 2.442 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.653 -3.788 4.489 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.687 -1.603 3.706 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.498 -1.714 5.256 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.535 -3.739 4.138 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.057 -2.933 5.937 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.469 -1.634 4.792 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.270 -1.708 6.380 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -7.656 -4.766 6.372 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -8.927 -3.608 6.831 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.231 -4.800 5.545 1.00 0.43 H new ATOM 979 N GLY B 180 -11.065 -1.293 2.353 1.00 0.22 N ATOM 980 CA GLY B 180 -12.035 -0.321 1.884 1.00 0.23 C ATOM 981 C GLY B 180 -13.367 -0.953 1.527 1.00 0.22 C ATOM 982 O GLY B 180 -14.422 -0.453 1.915 1.00 0.27 O ATOM 0 H GLY B 180 -10.184 -1.302 1.840 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.190 0.434 2.655 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.635 0.194 1.010 1.00 0.23 H new ATOM 986 N ILE B 181 -13.318 -2.056 0.788 1.00 0.21 N ATOM 987 CA ILE B 181 -14.528 -2.758 0.379 1.00 0.27 C ATOM 988 C ILE B 181 -15.385 -3.122 1.587 1.00 0.29 C ATOM 989 O ILE B 181 -16.601 -2.927 1.580 1.00 0.35 O ATOM 990 CB ILE B 181 -14.194 -4.040 -0.411 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.355 -3.699 -1.644 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.469 -4.765 -0.819 1.00 0.44 C ATOM 993 CD1 ILE B 181 -13.003 -4.906 -2.485 1.00 0.93 C ATOM 0 H ILE B 181 -12.452 -2.483 0.460 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.087 -2.080 -0.267 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.615 -4.702 0.233 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -13.901 -2.984 -2.259 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.436 -3.208 -1.324 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.213 -5.667 -1.375 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.034 -5.037 0.073 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.074 -4.111 -1.447 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.408 -4.591 -3.342 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.430 -5.613 -1.885 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -13.918 -5.385 -2.835 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.744 -3.653 2.624 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.446 -4.041 3.842 1.00 0.40 C ATOM 1007 C TYR B 182 -16.149 -2.842 4.470 1.00 0.44 C ATOM 1008 O TYR B 182 -17.341 -2.896 4.774 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.466 -4.654 4.844 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.096 -5.011 6.171 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.651 -6.268 6.383 1.00 1.25 C ATOM 1012 CD2 TYR B 182 -15.137 -4.092 7.212 1.00 1.42 C ATOM 1013 CE1 TYR B 182 -16.226 -6.597 7.596 1.00 1.30 C ATOM 1014 CE2 TYR B 182 -15.711 -4.415 8.427 1.00 1.52 C ATOM 1015 CZ TYR B 182 -16.254 -5.668 8.615 1.00 0.84 C ATOM 1016 OH TYR B 182 -16.825 -5.993 9.823 1.00 0.99 O ATOM 0 H TYR B 182 -13.739 -3.824 2.645 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.199 -4.783 3.578 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -14.028 -5.551 4.407 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.650 -3.952 5.017 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.633 -6.998 5.588 1.00 1.25 H new ATOM 0 HD2 TYR B 182 -14.713 -3.109 7.069 1.00 1.42 H new ATOM 0 HE1 TYR B 182 -16.652 -7.578 7.745 1.00 1.30 H new ATOM 0 HE2 TYR B 182 -15.734 -3.689 9.226 1.00 1.52 H new ATOM 0 HH TYR B 182 -16.761 -5.228 10.432 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.401 -1.762 4.665 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.950 -0.550 5.258 1.00 0.55 C ATOM 1028 C ILE B 183 -17.059 0.037 4.388 1.00 0.56 C ATOM 1029 O ILE B 183 -18.108 0.440 4.889 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.856 0.516 5.464 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.715 -0.053 6.309 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.442 1.757 6.121 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.565 0.912 6.505 1.00 1.10 C ATOM 0 H ILE B 183 -14.413 -1.702 4.421 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.364 -0.830 6.227 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.457 0.800 4.490 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -14.106 -0.342 7.285 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.340 -0.960 5.835 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.657 2.500 6.260 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -16.225 2.170 5.485 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.865 1.491 7.090 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.794 0.440 7.114 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -12.147 1.182 5.535 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.925 1.810 7.008 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.817 0.079 3.082 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.798 0.620 2.159 1.00 0.55 C ATOM 1047 C GLY B 184 -19.099 -0.161 2.148 1.00 0.61 C ATOM 1048 O GLY B 184 -20.181 0.425 2.197 1.00 0.72 O ATOM 0 H GLY B 184 -15.957 -0.253 2.645 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -18.006 1.656 2.425 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.377 0.627 1.154 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.998 -1.486 2.084 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.180 -2.342 2.057 1.00 0.70 C ATOM 1054 C ARG B 185 -21.058 -2.118 3.285 1.00 0.81 C ATOM 1055 O ARG B 185 -22.252 -2.419 3.267 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.774 -3.814 1.968 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.936 -4.287 3.139 1.00 0.66 C ATOM 1058 CD ARG B 185 -18.979 -5.797 3.280 1.00 0.80 C ATOM 1059 NE ARG B 185 -20.305 -6.251 3.667 1.00 1.20 N ATOM 1060 CZ ARG B 185 -20.652 -7.531 3.759 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -19.769 -8.482 3.486 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -21.882 -7.862 4.125 1.00 2.16 N ATOM 0 H ARG B 185 -18.111 -1.989 2.050 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.758 -2.077 1.172 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.673 -4.427 1.905 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.216 -3.973 1.045 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.904 -3.962 3.004 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.298 -3.824 4.057 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.694 -6.261 2.336 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -18.250 -6.116 4.025 1.00 0.80 H new ATOM 0 HE ARG B 185 -21.010 -5.546 3.880 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -18.821 -8.232 3.205 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -20.038 -9.463 3.557 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -22.564 -7.134 4.337 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -22.146 -8.845 4.195 1.00 2.16 H new