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 172 SER OG : rot 71:sc= 1.33 USER MOD Set 1.2: B 173 HIS : +bothHN:sc= -2.84! C(o=-1.5!,f=-5!) USER MOD Set 2.1: A 173 HIS : +bothHN:sc= -1.25! C(o=-0.18!,f=-4.8!) USER MOD Set 2.2: B 172 SER OG : rot 68:sc= 1.07 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 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 6.339 8.645 1.184 1.00 0.73 N ATOM 209 CA PRO A 167 4.998 9.107 0.805 1.00 0.67 C ATOM 210 C PRO A 167 4.294 8.130 -0.130 1.00 0.55 C ATOM 211 O PRO A 167 3.088 7.909 -0.019 1.00 0.58 O ATOM 212 CB PRO A 167 5.253 10.441 0.094 1.00 0.86 C ATOM 213 CG PRO A 167 6.686 10.398 -0.310 1.00 0.98 C ATOM 214 CD PRO A 167 7.386 9.578 0.735 1.00 0.91 C ATOM 0 HA PRO A 167 4.344 9.197 1.672 1.00 0.67 H new ATOM 0 HB2 PRO A 167 4.602 10.556 -0.773 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.055 11.284 0.756 1.00 0.86 H new ATOM 0 HG2 PRO A 167 6.800 9.951 -1.298 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.106 11.402 -0.364 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.247 9.050 0.324 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.753 10.197 1.554 1.00 0.91 H new ATOM 222 N SER A 168 5.053 7.546 -1.050 1.00 0.55 N ATOM 223 CA SER A 168 4.500 6.589 -2.002 1.00 0.52 C ATOM 224 C SER A 168 3.757 5.471 -1.278 1.00 0.39 C ATOM 225 O SER A 168 2.678 5.055 -1.700 1.00 0.33 O ATOM 226 CB SER A 168 5.615 6.000 -2.870 1.00 0.66 C ATOM 227 OG SER A 168 6.275 7.013 -3.609 1.00 1.47 O ATOM 0 H SER A 168 6.053 7.718 -1.157 1.00 0.55 H new ATOM 0 HA SER A 168 3.792 7.116 -2.642 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.335 5.479 -2.239 1.00 0.66 H new ATOM 0 HB3 SER A 168 5.196 5.261 -3.553 1.00 0.66 H new ATOM 0 HG SER A 168 6.984 6.611 -4.154 1.00 1.47 H new ATOM 233 N LEU A 169 4.343 4.987 -0.188 1.00 0.40 N ATOM 234 CA LEU A 169 3.736 3.918 0.597 1.00 0.36 C ATOM 235 C LEU A 169 2.396 4.362 1.178 1.00 0.28 C ATOM 236 O LEU A 169 1.385 3.673 1.034 1.00 0.26 O ATOM 237 CB LEU A 169 4.677 3.486 1.724 1.00 0.47 C ATOM 238 CG LEU A 169 5.998 2.871 1.263 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.865 2.512 2.459 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.741 1.645 0.399 1.00 0.62 C ATOM 0 H LEU A 169 5.238 5.318 0.172 1.00 0.40 H new ATOM 0 HA LEU A 169 3.561 3.070 -0.065 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.895 4.353 2.347 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.158 2.764 2.354 1.00 0.47 H new ATOM 0 HG LEU A 169 6.532 3.608 0.663 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.801 2.075 2.112 1.00 0.73 H new ATOM 0 HD12 LEU A 169 7.077 3.411 3.038 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.340 1.792 3.086 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.692 1.219 0.079 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.187 0.904 0.975 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.159 1.933 -0.477 1.00 0.62 H new ATOM 252 N LEU A 170 2.396 5.517 1.837 1.00 0.31 N ATOM 253 CA LEU A 170 1.182 6.055 2.441 1.00 0.33 C ATOM 254 C LEU A 170 0.069 6.181 1.406 1.00 0.26 C ATOM 255 O LEU A 170 -1.061 5.752 1.638 1.00 0.27 O ATOM 256 CB LEU A 170 1.460 7.423 3.067 1.00 0.42 C ATOM 257 CG LEU A 170 2.524 7.431 4.167 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.739 8.845 4.687 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.127 6.498 5.300 1.00 0.60 C ATOM 0 H LEU A 170 3.224 6.099 1.966 1.00 0.31 H new ATOM 0 HA LEU A 170 0.859 5.363 3.219 1.00 0.33 H new ATOM 0 HB2 LEU A 170 1.770 8.109 2.279 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.529 7.812 3.481 1.00 0.42 H new ATOM 0 HG LEU A 170 3.463 7.074 3.743 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.499 8.834 5.469 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.069 9.487 3.870 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.804 9.229 5.095 1.00 0.63 H new ATOM 0 HD21 LEU A 170 2.895 6.517 6.073 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.177 6.824 5.724 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.023 5.483 4.916 1.00 0.60 H new ATOM 271 N LEU A 171 0.398 6.773 0.262 1.00 0.23 N ATOM 272 CA LEU A 171 -0.572 6.962 -0.811 1.00 0.22 C ATOM 273 C LEU A 171 -1.140 5.627 -1.278 1.00 0.18 C ATOM 274 O LEU A 171 -2.341 5.500 -1.508 1.00 0.21 O ATOM 275 CB LEU A 171 0.078 7.689 -1.990 1.00 0.26 C ATOM 276 CG LEU A 171 0.582 9.099 -1.684 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.287 9.687 -2.895 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.571 9.991 -1.248 1.00 0.40 C ATOM 0 H LEU A 171 1.330 7.131 0.054 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.390 7.567 -0.421 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.915 7.091 -2.349 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.644 7.747 -2.804 1.00 0.26 H new ATOM 0 HG LEU A 171 1.300 9.041 -0.866 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.639 10.691 -2.659 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.136 9.058 -3.163 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.592 9.734 -3.733 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.196 10.992 -1.034 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.312 10.044 -2.046 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -1.033 9.577 -0.352 1.00 0.40 H new ATOM 290 N SER A 172 -0.270 4.634 -1.418 1.00 0.16 N ATOM 291 CA SER A 172 -0.690 3.312 -1.866 1.00 0.16 C ATOM 292 C SER A 172 -1.785 2.752 -0.966 1.00 0.15 C ATOM 293 O SER A 172 -2.846 2.347 -1.442 1.00 0.19 O ATOM 294 CB SER A 172 0.506 2.360 -1.888 1.00 0.19 C ATOM 295 OG SER A 172 1.496 2.805 -2.797 1.00 0.23 O ATOM 0 H SER A 172 0.729 4.719 -1.228 1.00 0.16 H new ATOM 0 HA SER A 172 -1.092 3.407 -2.875 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.933 2.285 -0.888 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.174 1.360 -2.168 1.00 0.19 H new ATOM 0 HG SER A 172 1.934 3.605 -2.438 1.00 0.23 H new ATOM 301 N HIS A 173 -1.522 2.731 0.336 1.00 0.13 N ATOM 302 CA HIS A 173 -2.490 2.224 1.299 1.00 0.17 C ATOM 303 C HIS A 173 -3.759 3.071 1.290 1.00 0.22 C ATOM 304 O HIS A 173 -4.863 2.551 1.142 1.00 0.27 O ATOM 305 CB HIS A 173 -1.882 2.209 2.703 1.00 0.20 C ATOM 306 CG HIS A 173 -0.720 1.272 2.844 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.593 1.686 2.781 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.681 -0.067 3.048 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.390 0.643 2.938 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.642 -0.432 3.103 1.00 0.27 N ATOM 0 H HIS A 173 -0.648 3.059 0.747 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.752 1.205 1.013 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.558 3.217 2.960 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.653 1.929 3.421 1.00 0.20 H new ATOM 0 HD1 HIS A 173 0.902 2.647 2.636 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.532 -0.725 3.149 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.470 0.666 2.932 1.00 0.29 H new ATOM 0 HE2 HIS A 173 0.990 -1.380 3.248 1.00 0.27 H new ATOM 319 N LEU A 174 -3.591 4.382 1.438 1.00 0.23 N ATOM 320 CA LEU A 174 -4.722 5.303 1.451 1.00 0.29 C ATOM 321 C LEU A 174 -5.540 5.195 0.167 1.00 0.29 C ATOM 322 O LEU A 174 -6.759 5.031 0.209 1.00 0.34 O ATOM 323 CB LEU A 174 -4.233 6.742 1.639 1.00 0.32 C ATOM 324 CG LEU A 174 -3.532 7.021 2.969 1.00 0.36 C ATOM 325 CD1 LEU A 174 -3.145 8.488 3.072 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.424 6.620 4.134 1.00 0.47 C ATOM 0 H LEU A 174 -2.682 4.830 1.551 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.365 5.030 2.288 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.548 6.985 0.827 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -5.086 7.414 1.548 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.621 6.423 3.011 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.647 8.667 4.025 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.469 8.744 2.256 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -4.041 9.106 3.009 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.910 6.825 5.073 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.351 7.191 4.096 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.651 5.556 4.069 1.00 0.47 H new ATOM 338 N LEU A 175 -4.865 5.292 -0.972 1.00 0.26 N ATOM 339 CA LEU A 175 -5.534 5.208 -2.266 1.00 0.28 C ATOM 340 C LEU A 175 -6.231 3.861 -2.440 1.00 0.27 C ATOM 341 O LEU A 175 -7.381 3.800 -2.877 1.00 0.29 O ATOM 342 CB LEU A 175 -4.533 5.433 -3.400 1.00 0.30 C ATOM 343 CG LEU A 175 -3.962 6.850 -3.484 1.00 0.33 C ATOM 344 CD1 LEU A 175 -2.994 6.968 -4.651 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.087 7.866 -3.617 1.00 0.41 C ATOM 0 H LEU A 175 -3.856 5.429 -1.027 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.292 5.990 -2.302 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.708 4.731 -3.281 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.019 5.196 -4.346 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.415 7.058 -2.565 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.598 7.983 -4.694 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.173 6.264 -4.515 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.516 6.742 -5.581 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.666 8.870 -3.676 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.659 7.659 -4.521 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.743 7.798 -2.749 1.00 0.41 H new ATOM 357 N ALA A 176 -5.532 2.783 -2.096 1.00 0.26 N ATOM 358 CA ALA A 176 -6.094 1.443 -2.215 1.00 0.27 C ATOM 359 C ALA A 176 -7.402 1.336 -1.435 1.00 0.26 C ATOM 360 O ALA A 176 -8.434 0.926 -1.976 1.00 0.27 O ATOM 361 CB ALA A 176 -5.093 0.408 -1.729 1.00 0.27 C ATOM 0 H ALA A 176 -4.579 2.812 -1.734 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.310 1.250 -3.266 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.525 -0.588 -1.823 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.186 0.469 -2.330 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.849 0.600 -0.684 1.00 0.27 H new ATOM 367 N ILE A 177 -7.357 1.716 -0.160 1.00 0.27 N ATOM 368 CA ILE A 177 -8.544 1.674 0.681 1.00 0.28 C ATOM 369 C ILE A 177 -9.630 2.559 0.087 1.00 0.26 C ATOM 370 O ILE A 177 -10.802 2.184 0.044 1.00 0.26 O ATOM 371 CB ILE A 177 -8.240 2.131 2.124 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.182 1.227 2.757 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.510 2.128 2.964 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.828 1.620 4.174 1.00 0.62 C ATOM 0 H ILE A 177 -6.516 2.054 0.308 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.885 0.639 0.719 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.852 3.149 2.088 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.543 0.199 2.752 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.280 1.251 2.145 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.276 2.453 3.978 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.239 2.808 2.524 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.925 1.121 2.992 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.072 0.938 4.563 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.437 2.637 4.183 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.719 1.569 4.799 1.00 0.62 H new ATOM 386 N GLY A 178 -9.229 3.739 -0.382 1.00 0.26 N ATOM 387 CA GLY A 178 -10.177 4.655 -0.986 1.00 0.27 C ATOM 388 C GLY A 178 -10.994 3.978 -2.065 1.00 0.26 C ATOM 389 O GLY A 178 -12.203 4.185 -2.165 1.00 0.28 O ATOM 0 H GLY A 178 -8.266 4.075 -0.354 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.843 5.050 -0.218 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.643 5.504 -1.412 1.00 0.27 H new ATOM 393 N LEU A 179 -10.326 3.165 -2.879 1.00 0.25 N ATOM 394 CA LEU A 179 -10.997 2.432 -3.942 1.00 0.27 C ATOM 395 C LEU A 179 -12.037 1.496 -3.344 1.00 0.26 C ATOM 396 O LEU A 179 -13.174 1.426 -3.813 1.00 0.28 O ATOM 397 CB LEU A 179 -9.988 1.628 -4.763 1.00 0.33 C ATOM 398 CG LEU A 179 -8.887 2.450 -5.432 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.953 1.545 -6.222 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.489 3.516 -6.335 1.00 0.43 C ATOM 0 H LEU A 179 -9.321 2.999 -2.821 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.488 3.148 -4.601 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.522 0.889 -4.112 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.528 1.078 -5.534 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.308 2.948 -4.654 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.175 2.147 -6.692 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.495 0.820 -5.550 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.520 1.020 -6.991 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.689 4.091 -6.802 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -10.093 3.040 -7.107 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -10.117 4.182 -5.743 1.00 0.43 H new ATOM 412 N GLY A 180 -11.633 0.776 -2.300 1.00 0.25 N ATOM 413 CA GLY A 180 -12.541 -0.144 -1.640 1.00 0.27 C ATOM 414 C GLY A 180 -13.746 0.563 -1.046 1.00 0.26 C ATOM 415 O GLY A 180 -14.877 0.096 -1.182 1.00 0.29 O ATOM 0 H GLY A 180 -10.695 0.814 -1.901 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.879 -0.894 -2.355 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.008 -0.674 -0.851 1.00 0.27 H new ATOM 419 N ILE A 181 -13.503 1.691 -0.387 1.00 0.28 N ATOM 420 CA ILE A 181 -14.577 2.464 0.228 1.00 0.34 C ATOM 421 C ILE A 181 -15.582 2.933 -0.821 1.00 0.32 C ATOM 422 O ILE A 181 -16.788 2.734 -0.672 1.00 0.36 O ATOM 423 CB ILE A 181 -14.029 3.691 0.986 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.031 3.254 2.061 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.168 4.487 1.609 1.00 0.49 C ATOM 426 CD1 ILE A 181 -13.643 2.392 3.141 1.00 0.89 C ATOM 0 H ILE A 181 -12.572 2.090 -0.265 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.075 1.805 0.939 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.511 4.332 0.273 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.217 2.705 1.587 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -12.593 4.140 2.520 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -14.762 5.348 2.139 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -15.844 4.829 0.825 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -15.714 3.854 2.309 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -12.877 2.121 3.868 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -14.438 2.945 3.641 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.056 1.488 2.694 1.00 0.89 H new ATOM 438 N TYR A 182 -15.077 3.559 -1.879 1.00 0.31 N ATOM 439 CA TYR A 182 -15.928 4.059 -2.954 1.00 0.35 C ATOM 440 C TYR A 182 -16.857 2.961 -3.463 1.00 0.36 C ATOM 441 O TYR A 182 -18.072 3.150 -3.543 1.00 0.42 O ATOM 442 CB TYR A 182 -15.065 4.592 -4.099 1.00 0.39 C ATOM 443 CG TYR A 182 -15.858 5.008 -5.319 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.452 6.263 -5.391 1.00 1.19 C ATOM 445 CD2 TYR A 182 -16.008 4.148 -6.399 1.00 1.43 C ATOM 446 CE1 TYR A 182 -17.175 6.647 -6.504 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.729 4.525 -7.516 1.00 1.56 C ATOM 448 CZ TYR A 182 -17.310 5.775 -7.564 1.00 0.81 C ATOM 449 OH TYR A 182 -18.028 6.154 -8.675 1.00 0.98 O ATOM 0 H TYR A 182 -14.081 3.733 -2.015 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.540 4.871 -2.561 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.491 5.447 -3.741 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.347 3.824 -4.388 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.347 6.949 -4.563 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -15.554 3.169 -6.365 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -17.632 7.625 -6.544 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.837 3.844 -8.347 1.00 1.56 H new ATOM 0 HH TYR A 182 -18.026 5.425 -9.330 1.00 0.98 H new ATOM 459 N ILE A 183 -16.279 1.818 -3.808 1.00 0.35 N ATOM 460 CA ILE A 183 -17.053 0.686 -4.304 1.00 0.43 C ATOM 461 C ILE A 183 -18.035 0.180 -3.249 1.00 0.45 C ATOM 462 O ILE A 183 -19.184 -0.135 -3.557 1.00 0.55 O ATOM 463 CB ILE A 183 -16.131 -0.475 -4.733 1.00 0.48 C ATOM 464 CG1 ILE A 183 -15.149 -0.005 -5.807 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.950 -1.654 -5.238 1.00 0.56 C ATOM 466 CD1 ILE A 183 -14.230 -1.099 -6.307 1.00 0.83 C ATOM 0 H ILE A 183 -15.275 1.649 -3.754 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.612 1.040 -5.171 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.563 -0.803 -3.862 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.711 0.400 -6.649 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.546 0.809 -5.405 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -16.281 -2.461 -5.535 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.611 -2.004 -4.445 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.546 -1.342 -6.096 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -13.561 -0.694 -7.066 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.642 -1.488 -5.476 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.824 -1.904 -6.739 1.00 0.83 H new ATOM 478 N GLY A 184 -17.575 0.110 -2.005 1.00 0.40 N ATOM 479 CA GLY A 184 -18.417 -0.369 -0.923 1.00 0.46 C ATOM 480 C GLY A 184 -19.661 0.476 -0.709 1.00 0.52 C ATOM 481 O GLY A 184 -20.756 -0.060 -0.539 1.00 0.64 O ATOM 0 H GLY A 184 -16.631 0.377 -1.725 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -18.716 -1.396 -1.132 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -17.836 -0.387 -0.001 1.00 0.46 H new ATOM 485 N ARG A 185 -19.500 1.794 -0.714 1.00 0.48 N ATOM 486 CA ARG A 185 -20.628 2.697 -0.505 1.00 0.59 C ATOM 487 C ARG A 185 -21.688 2.524 -1.590 1.00 0.67 C ATOM 488 O ARG A 185 -22.879 2.691 -1.333 1.00 0.83 O ATOM 489 CB ARG A 185 -20.154 4.151 -0.464 1.00 0.59 C ATOM 490 CG ARG A 185 -19.399 4.582 -1.704 1.00 0.51 C ATOM 491 CD ARG A 185 -19.327 6.097 -1.813 1.00 0.85 C ATOM 492 NE ARG A 185 -18.694 6.699 -0.643 1.00 1.32 N ATOM 493 CZ ARG A 185 -18.440 7.998 -0.529 1.00 1.98 C ATOM 494 NH1 ARG A 185 -18.759 8.827 -1.513 1.00 2.27 N ATOM 495 NH2 ARG A 185 -17.862 8.469 0.568 1.00 2.54 N ATOM 0 H ARG A 185 -18.605 2.260 -0.860 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.078 2.443 0.455 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -21.018 4.802 -0.332 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.514 4.290 0.407 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.390 4.169 -1.679 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -19.888 4.175 -2.589 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -18.769 6.370 -2.708 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.333 6.501 -1.929 1.00 0.85 H new ATOM 0 HE ARG A 185 -18.432 6.088 0.130 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -19.200 8.468 -2.360 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -18.563 9.824 -1.424 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -17.612 7.834 1.326 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -17.668 9.467 0.654 1.00 2.54 H new ATOM 509 N ARG A 186 -21.253 2.194 -2.801 1.00 0.63 N ATOM 510 CA ARG A 186 -22.183 2.000 -3.909 1.00 0.74 C ATOM 511 C ARG A 186 -22.734 0.575 -3.923 1.00 0.85 C ATOM 512 O ARG A 186 -23.733 0.295 -4.585 1.00 1.06 O ATOM 513 CB ARG A 186 -21.509 2.319 -5.246 1.00 0.80 C ATOM 514 CG ARG A 186 -20.394 1.359 -5.622 1.00 1.24 C ATOM 515 CD ARG A 186 -19.912 1.607 -7.042 1.00 1.58 C ATOM 516 NE ARG A 186 -18.900 0.640 -7.456 1.00 2.38 N ATOM 517 CZ ARG A 186 -18.395 0.585 -8.684 1.00 2.95 C ATOM 518 NH1 ARG A 186 -18.802 1.444 -9.608 1.00 2.93 N ATOM 519 NH2 ARG A 186 -17.479 -0.325 -8.988 1.00 3.95 N ATOM 0 H ARG A 186 -20.271 2.056 -3.040 1.00 0.63 H new ATOM 0 HA ARG A 186 -23.016 2.688 -3.766 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -22.263 2.309 -6.033 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.105 3.330 -5.205 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.562 1.474 -4.927 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -20.748 0.332 -5.529 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -20.760 1.559 -7.726 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -19.501 2.614 -7.114 1.00 1.58 H new ATOM 0 HE ARG A 186 -18.562 -0.030 -6.765 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -19.503 2.148 -9.377 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -18.414 1.401 -10.550 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -17.161 -0.985 -8.278 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -17.093 -0.365 -9.931 1.00 3.95 H new ATOM 775 N PRO B 167 7.446 -8.313 -1.181 1.00 0.73 N ATOM 776 CA PRO B 167 6.124 -8.954 -1.224 1.00 0.63 C ATOM 777 C PRO B 167 5.095 -8.226 -0.364 1.00 0.56 C ATOM 778 O PRO B 167 3.892 -8.330 -0.601 1.00 0.69 O ATOM 779 CB PRO B 167 6.380 -10.362 -0.675 1.00 0.87 C ATOM 780 CG PRO B 167 7.658 -10.257 0.082 1.00 1.07 C ATOM 781 CD PRO B 167 8.473 -9.214 -0.628 1.00 0.96 C ATOM 0 HA PRO B 167 5.709 -8.948 -2.232 1.00 0.63 H new ATOM 0 HB2 PRO B 167 5.565 -10.687 -0.029 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.458 -11.091 -1.481 1.00 0.87 H new ATOM 0 HG2 PRO B 167 7.476 -9.972 1.118 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.180 -11.214 0.102 1.00 1.07 H new ATOM 0 HD2 PRO B 167 9.143 -8.692 0.054 1.00 0.96 H new ATOM 0 HD3 PRO B 167 9.092 -9.650 -1.412 1.00 0.96 H new ATOM 789 N SER B 168 5.573 -7.491 0.635 1.00 0.55 N ATOM 790 CA SER B 168 4.687 -6.749 1.526 1.00 0.55 C ATOM 791 C SER B 168 3.954 -5.646 0.771 1.00 0.44 C ATOM 792 O SER B 168 2.743 -5.479 0.919 1.00 0.41 O ATOM 793 CB SER B 168 5.481 -6.146 2.688 1.00 0.72 C ATOM 794 OG SER B 168 4.624 -5.474 3.596 1.00 1.59 O ATOM 0 H SER B 168 6.566 -7.393 0.848 1.00 0.55 H new ATOM 0 HA SER B 168 3.949 -7.446 1.923 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.023 -6.934 3.210 1.00 0.72 H new ATOM 0 HB3 SER B 168 6.225 -5.449 2.302 1.00 0.72 H new ATOM 0 HG SER B 168 5.154 -5.099 4.330 1.00 1.59 H new ATOM 800 N LEU B 169 4.693 -4.897 -0.040 1.00 0.46 N ATOM 801 CA LEU B 169 4.111 -3.808 -0.818 1.00 0.45 C ATOM 802 C LEU B 169 2.945 -4.310 -1.664 1.00 0.33 C ATOM 803 O LEU B 169 1.865 -3.717 -1.667 1.00 0.31 O ATOM 804 CB LEU B 169 5.172 -3.170 -1.715 1.00 0.60 C ATOM 805 CG LEU B 169 6.444 -2.718 -0.995 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.404 -2.057 -1.971 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.101 -1.767 0.144 1.00 0.77 C ATOM 0 H LEU B 169 5.696 -5.023 -0.176 1.00 0.46 H new ATOM 0 HA LEU B 169 3.736 -3.056 -0.123 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.447 -3.884 -2.491 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.731 -2.308 -2.216 1.00 0.60 H new ATOM 0 HG LEU B 169 6.933 -3.597 -0.575 1.00 0.77 H new ATOM 0 HD11 LEU B 169 8.303 -1.742 -1.441 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.674 -2.767 -2.753 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.925 -1.187 -2.420 1.00 1.09 H new ATOM 0 HD21 LEU B 169 7.017 -1.455 0.646 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.589 -0.891 -0.255 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.451 -2.273 0.857 1.00 0.77 H new ATOM 819 N LEU B 170 3.169 -5.410 -2.380 1.00 0.34 N ATOM 820 CA LEU B 170 2.134 -5.988 -3.228 1.00 0.36 C ATOM 821 C LEU B 170 0.897 -6.329 -2.408 1.00 0.28 C ATOM 822 O LEU B 170 -0.221 -5.957 -2.767 1.00 0.32 O ATOM 823 CB LEU B 170 2.653 -7.243 -3.937 1.00 0.47 C ATOM 824 CG LEU B 170 3.663 -6.992 -5.061 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.957 -6.413 -4.509 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.938 -8.280 -5.825 1.00 0.72 C ATOM 0 H LEU B 170 4.055 -5.916 -2.389 1.00 0.34 H new ATOM 0 HA LEU B 170 1.863 -5.248 -3.981 1.00 0.36 H new ATOM 0 HB2 LEU B 170 3.115 -7.894 -3.195 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.802 -7.784 -4.350 1.00 0.47 H new ATOM 0 HG LEU B 170 3.233 -6.264 -5.749 1.00 0.59 H new ATOM 0 HD11 LEU B 170 5.658 -6.244 -5.327 1.00 0.60 H new ATOM 0 HD12 LEU B 170 4.748 -5.468 -4.008 1.00 0.60 H new ATOM 0 HD13 LEU B 170 5.394 -7.112 -3.796 1.00 0.60 H new ATOM 0 HD21 LEU B 170 4.657 -8.085 -6.620 1.00 0.72 H new ATOM 0 HD22 LEU B 170 4.344 -9.028 -5.144 1.00 0.72 H new ATOM 0 HD23 LEU B 170 3.009 -8.651 -6.259 1.00 0.72 H new ATOM 838 N LEU B 171 1.104 -7.041 -1.304 1.00 0.24 N ATOM 839 CA LEU B 171 0.005 -7.426 -0.428 1.00 0.26 C ATOM 840 C LEU B 171 -0.727 -6.193 0.090 1.00 0.23 C ATOM 841 O LEU B 171 -1.955 -6.171 0.164 1.00 0.29 O ATOM 842 CB LEU B 171 0.525 -8.260 0.746 1.00 0.32 C ATOM 843 CG LEU B 171 1.141 -9.607 0.360 1.00 0.38 C ATOM 844 CD1 LEU B 171 1.515 -10.400 1.603 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.179 -10.400 -0.512 1.00 0.50 C ATOM 0 H LEU B 171 2.022 -7.362 -0.996 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.696 -8.029 -1.005 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.272 -7.677 1.284 1.00 0.32 H new ATOM 0 HB3 LEU B 171 -0.298 -8.439 1.438 1.00 0.32 H new ATOM 0 HG LEU B 171 2.050 -9.420 -0.212 1.00 0.38 H new ATOM 0 HD11 LEU B 171 1.951 -11.354 1.308 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.240 -9.836 2.190 1.00 0.47 H new ATOM 0 HD13 LEU B 171 0.623 -10.579 2.203 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.632 -11.355 -0.778 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.747 -10.577 0.036 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.038 -9.837 -1.419 1.00 0.50 H new ATOM 857 N SER B 172 0.038 -5.168 0.451 1.00 0.18 N ATOM 858 CA SER B 172 -0.533 -3.928 0.959 1.00 0.19 C ATOM 859 C SER B 172 -1.604 -3.394 0.012 1.00 0.14 C ATOM 860 O SER B 172 -2.715 -3.075 0.433 1.00 0.18 O ATOM 861 CB SER B 172 0.564 -2.879 1.151 1.00 0.23 C ATOM 862 OG SER B 172 1.485 -3.280 2.151 1.00 0.31 O ATOM 0 H SER B 172 1.057 -5.173 0.401 1.00 0.18 H new ATOM 0 HA SER B 172 -0.998 -4.138 1.922 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.090 -2.722 0.209 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.115 -1.925 1.428 1.00 0.23 H new ATOM 0 HG SER B 172 1.994 -4.056 1.835 1.00 0.31 H new ATOM 868 N HIS B 173 -1.262 -3.301 -1.270 1.00 0.12 N ATOM 869 CA HIS B 173 -2.197 -2.804 -2.275 1.00 0.15 C ATOM 870 C HIS B 173 -3.436 -3.691 -2.362 1.00 0.20 C ATOM 871 O HIS B 173 -4.563 -3.207 -2.274 1.00 0.25 O ATOM 872 CB HIS B 173 -1.517 -2.732 -3.643 1.00 0.19 C ATOM 873 CG HIS B 173 -0.336 -1.812 -3.679 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.968 -2.261 -3.682 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.267 -0.461 -3.722 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.787 -1.225 -3.724 1.00 0.30 C ATOM 877 NE2 HIS B 173 1.065 -0.122 -3.748 1.00 0.28 N ATOM 0 H HIS B 173 -0.347 -3.562 -1.637 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.510 -1.804 -1.974 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.196 -3.733 -3.933 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.245 -2.404 -4.384 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.255 -3.239 -3.656 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.103 0.223 -3.734 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.866 -1.273 -3.737 1.00 0.30 H new ATOM 0 HE2 HIS B 173 1.435 0.828 -3.781 1.00 0.28 H new ATOM 886 N LEU B 174 -3.220 -4.992 -2.530 1.00 0.21 N ATOM 887 CA LEU B 174 -4.325 -5.940 -2.632 1.00 0.28 C ATOM 888 C LEU B 174 -5.171 -5.932 -1.363 1.00 0.28 C ATOM 889 O LEU B 174 -6.391 -5.780 -1.418 1.00 0.31 O ATOM 890 CB LEU B 174 -3.794 -7.351 -2.895 1.00 0.32 C ATOM 891 CG LEU B 174 -3.026 -7.520 -4.206 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.480 -8.935 -4.325 1.00 0.40 C ATOM 893 CD2 LEU B 174 -3.920 -7.190 -5.393 1.00 0.44 C ATOM 0 H LEU B 174 -2.293 -5.413 -2.598 1.00 0.21 H new ATOM 0 HA LEU B 174 -4.954 -5.634 -3.468 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.141 -7.637 -2.070 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.634 -8.045 -2.892 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.185 -6.826 -4.205 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -1.936 -9.037 -5.264 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.807 -9.136 -3.492 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.306 -9.646 -4.304 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.357 -7.315 -6.318 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.780 -7.859 -5.398 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.263 -6.158 -5.314 1.00 0.44 H new ATOM 905 N LEU B 175 -4.513 -6.097 -0.221 1.00 0.27 N ATOM 906 CA LEU B 175 -5.198 -6.108 1.065 1.00 0.30 C ATOM 907 C LEU B 175 -5.882 -4.770 1.333 1.00 0.27 C ATOM 908 O LEU B 175 -7.027 -4.726 1.786 1.00 0.28 O ATOM 909 CB LEU B 175 -4.207 -6.420 2.189 1.00 0.33 C ATOM 910 CG LEU B 175 -3.598 -7.822 2.142 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.490 -7.958 3.174 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.673 -8.874 2.371 1.00 0.46 C ATOM 0 H LEU B 175 -3.503 -6.225 -0.160 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.962 -6.885 1.034 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.400 -5.688 2.155 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.713 -6.292 3.146 1.00 0.33 H new ATOM 0 HG LEU B 175 -3.166 -7.978 1.154 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.069 -8.962 3.125 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.709 -7.226 2.968 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.897 -7.783 4.170 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.224 -9.867 2.335 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.132 -8.719 3.347 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.434 -8.791 1.595 1.00 0.46 H new ATOM 924 N ALA B 176 -5.174 -3.682 1.046 1.00 0.25 N ATOM 925 CA ALA B 176 -5.711 -2.344 1.260 1.00 0.23 C ATOM 926 C ALA B 176 -7.063 -2.172 0.574 1.00 0.20 C ATOM 927 O ALA B 176 -8.039 -1.761 1.201 1.00 0.20 O ATOM 928 CB ALA B 176 -4.724 -1.299 0.763 1.00 0.24 C ATOM 0 H ALA B 176 -4.228 -3.701 0.665 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.863 -2.207 2.331 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.135 -0.303 0.928 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.784 -1.398 1.307 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.544 -1.446 -0.302 1.00 0.24 H new ATOM 934 N ILE B 177 -7.117 -2.491 -0.717 1.00 0.20 N ATOM 935 CA ILE B 177 -8.355 -2.370 -1.481 1.00 0.20 C ATOM 936 C ILE B 177 -9.444 -3.266 -0.899 1.00 0.20 C ATOM 937 O ILE B 177 -10.578 -2.830 -0.698 1.00 0.20 O ATOM 938 CB ILE B 177 -8.142 -2.732 -2.966 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.083 -1.821 -3.589 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.450 -2.624 -3.737 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.820 -2.116 -5.050 1.00 0.31 C ATOM 0 H ILE B 177 -6.321 -2.834 -1.254 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.669 -1.328 -1.415 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.793 -3.763 -3.021 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.402 -0.784 -3.487 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.152 -1.925 -3.032 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.279 -2.883 -4.782 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.182 -3.308 -3.309 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.827 -1.603 -3.673 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -6.059 -1.433 -5.428 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.471 -3.143 -5.157 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.740 -1.984 -5.619 1.00 0.31 H new ATOM 953 N GLY B 178 -9.095 -4.521 -0.635 1.00 0.23 N ATOM 954 CA GLY B 178 -10.055 -5.453 -0.076 1.00 0.26 C ATOM 955 C GLY B 178 -10.727 -4.905 1.166 1.00 0.24 C ATOM 956 O GLY B 178 -11.954 -4.905 1.269 1.00 0.26 O ATOM 0 H GLY B 178 -8.166 -4.908 -0.798 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.812 -5.685 -0.825 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.551 -6.388 0.168 1.00 0.26 H new ATOM 960 N LEU B 179 -9.921 -4.435 2.112 1.00 0.25 N ATOM 961 CA LEU B 179 -10.442 -3.877 3.352 1.00 0.28 C ATOM 962 C LEU B 179 -11.433 -2.754 3.066 1.00 0.25 C ATOM 963 O LEU B 179 -12.519 -2.706 3.642 1.00 0.29 O ATOM 964 CB LEU B 179 -9.299 -3.351 4.222 1.00 0.33 C ATOM 965 CG LEU B 179 -8.306 -4.413 4.699 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.185 -3.773 5.506 1.00 0.47 C ATOM 967 CD2 LEU B 179 -9.018 -5.473 5.526 1.00 0.43 C ATOM 0 H LEU B 179 -8.903 -4.430 2.042 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.961 -4.672 3.888 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.754 -2.593 3.660 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.725 -2.856 5.095 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.869 -4.893 3.823 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.489 -4.544 5.837 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.657 -3.049 4.885 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.605 -3.267 6.375 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.297 -6.221 5.857 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.482 -5.006 6.395 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.786 -5.953 4.919 1.00 0.43 H new ATOM 979 N GLY B 180 -11.050 -1.852 2.168 1.00 0.22 N ATOM 980 CA GLY B 180 -11.915 -0.741 1.820 1.00 0.23 C ATOM 981 C GLY B 180 -13.288 -1.194 1.364 1.00 0.22 C ATOM 982 O GLY B 180 -14.302 -0.612 1.752 1.00 0.27 O ATOM 0 H GLY B 180 -10.157 -1.871 1.676 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.021 -0.083 2.683 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.448 -0.155 1.028 1.00 0.23 H new ATOM 986 N ILE B 181 -13.323 -2.235 0.539 1.00 0.21 N ATOM 987 CA ILE B 181 -14.583 -2.763 0.030 1.00 0.27 C ATOM 988 C ILE B 181 -15.463 -3.271 1.168 1.00 0.29 C ATOM 989 O ILE B 181 -16.635 -2.907 1.269 1.00 0.35 O ATOM 990 CB ILE B 181 -14.349 -3.906 -0.977 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.466 -3.424 -2.128 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.678 -4.429 -1.504 1.00 0.44 C ATOM 993 CD1 ILE B 181 -13.179 -4.496 -3.158 1.00 0.93 C ATOM 0 H ILE B 181 -12.494 -2.729 0.209 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.089 -1.942 -0.479 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.837 -4.722 -0.467 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -13.951 -2.580 -2.619 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.522 -3.058 -1.723 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.496 -5.236 -2.214 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.276 -4.804 -0.674 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.215 -3.622 -2.002 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.548 -4.084 -3.945 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.666 -5.331 -2.681 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.117 -4.845 -3.590 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.892 -4.112 2.022 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.624 -4.669 3.151 1.00 0.40 C ATOM 1007 C TYR B 182 -16.150 -3.560 4.056 1.00 0.44 C ATOM 1008 O TYR B 182 -17.329 -3.542 4.412 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.727 -5.616 3.950 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.388 -6.169 5.193 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -16.626 -6.794 5.124 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -14.772 -6.062 6.433 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -17.233 -7.299 6.260 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -15.372 -6.564 7.572 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.602 -7.181 7.481 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.203 -7.680 8.614 1.00 0.99 O ATOM 0 H TYR B 182 -13.923 -4.423 1.953 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.474 -5.229 2.762 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -14.425 -6.445 3.309 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.818 -5.087 4.236 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -17.122 -6.887 4.169 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -13.809 -5.579 6.508 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -18.196 -7.783 6.191 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -14.880 -6.474 8.529 1.00 1.30 H new ATOM 0 HH TYR B 182 -16.626 -7.516 9.389 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.268 -2.636 4.425 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.645 -1.523 5.287 1.00 0.55 C ATOM 1028 C ILE B 183 -16.709 -0.651 4.625 1.00 0.56 C ATOM 1029 O ILE B 183 -17.700 -0.279 5.253 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.424 -0.650 5.643 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.355 -1.493 6.341 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -14.839 0.520 6.526 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.078 -0.733 6.626 1.00 1.10 C ATOM 0 H ILE B 183 -14.289 -2.637 4.140 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.052 -1.953 6.202 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.005 -0.250 4.720 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -13.759 -1.874 7.279 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.123 -2.358 5.720 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -13.963 1.123 6.766 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -15.569 1.134 5.998 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.282 0.141 7.447 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.365 -1.392 7.122 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -11.651 -0.375 5.689 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.297 0.117 7.273 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.497 -0.328 3.353 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.448 0.497 2.631 1.00 0.55 C ATOM 1047 C GLY B 184 -18.832 -0.120 2.587 1.00 0.61 C ATOM 1048 O GLY B 184 -19.825 0.540 2.890 1.00 0.72 O ATOM 0 H GLY B 184 -15.685 -0.622 2.810 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -17.505 1.478 3.103 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.090 0.653 1.613 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.897 -1.392 2.206 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.167 -2.102 2.122 1.00 0.70 C ATOM 1054 C ARG B 185 -20.865 -2.141 3.479 1.00 0.81 C ATOM 1055 O ARG B 185 -22.082 -2.312 3.557 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.945 -3.527 1.612 1.00 0.71 C ATOM 1057 CG ARG B 185 -19.121 -4.385 2.550 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.283 -5.861 2.243 1.00 0.80 C ATOM 1059 NE ARG B 185 -20.672 -6.274 2.359 1.00 1.20 N ATOM 1060 CZ ARG B 185 -21.090 -7.524 2.189 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -20.221 -8.483 1.900 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -22.377 -7.817 2.308 1.00 2.16 N ATOM 0 H ARG B 185 -18.084 -1.952 1.950 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.806 -1.565 1.421 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.913 -4.002 1.454 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.449 -3.484 0.642 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -18.070 -4.109 2.468 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.422 -4.192 3.580 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.923 -6.067 1.235 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -18.669 -6.447 2.927 1.00 0.80 H new ATOM 0 HE ARG B 185 -21.367 -5.562 2.584 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -19.230 -8.262 1.808 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -20.544 -9.442 1.770 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -23.049 -7.082 2.530 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -22.696 -8.777 2.177 1.00 2.16 H new