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 67:sc= 0.744 USER MOD Set 1.2: B 173 HIS : +bothHN:sc= -3.1! C(o=-2.4!,f=-8.3!) USER MOD Set 2.1: A 173 HIS : +bothHN:sc= -1.65! C(o=-0.85!,f=-6.2!) USER MOD Set 2.2: B 172 SER OG : rot 70:sc= 0.804 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 6.045 8.871 0.948 1.00 0.73 N ATOM 209 CA PRO A 167 4.619 9.199 0.851 1.00 0.67 C ATOM 210 C PRO A 167 3.876 8.205 -0.032 1.00 0.55 C ATOM 211 O PRO A 167 2.737 7.835 0.255 1.00 0.58 O ATOM 212 CB PRO A 167 4.605 10.593 0.217 1.00 0.86 C ATOM 213 CG PRO A 167 5.918 10.711 -0.473 1.00 0.98 C ATOM 214 CD PRO A 167 6.890 9.930 0.362 1.00 0.91 C ATOM 0 HA PRO A 167 4.122 9.164 1.820 1.00 0.67 H new ATOM 0 HB2 PRO A 167 3.778 10.700 -0.485 1.00 0.86 H new ATOM 0 HB3 PRO A 167 4.484 11.370 0.972 1.00 0.86 H new ATOM 0 HG2 PRO A 167 5.865 10.313 -1.486 1.00 0.98 H new ATOM 0 HG3 PRO A 167 6.224 11.754 -0.556 1.00 0.98 H new ATOM 0 HD2 PRO A 167 7.698 9.515 -0.241 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.352 10.550 1.130 1.00 0.91 H new ATOM 222 N SER A 168 4.533 7.770 -1.103 1.00 0.55 N ATOM 223 CA SER A 168 3.938 6.813 -2.031 1.00 0.52 C ATOM 224 C SER A 168 3.372 5.615 -1.279 1.00 0.39 C ATOM 225 O SER A 168 2.231 5.211 -1.502 1.00 0.33 O ATOM 226 CB SER A 168 4.977 6.346 -3.051 1.00 0.66 C ATOM 227 OG SER A 168 5.466 7.434 -3.816 1.00 1.47 O ATOM 0 H SER A 168 5.478 8.065 -1.350 1.00 0.55 H new ATOM 0 HA SER A 168 3.123 7.310 -2.557 1.00 0.52 H new ATOM 0 HB2 SER A 168 5.805 5.859 -2.535 1.00 0.66 H new ATOM 0 HB3 SER A 168 4.533 5.603 -3.713 1.00 0.66 H new ATOM 0 HG SER A 168 6.130 7.109 -4.459 1.00 1.47 H new ATOM 233 N LEU A 169 4.179 5.051 -0.386 1.00 0.40 N ATOM 234 CA LEU A 169 3.754 3.906 0.405 1.00 0.36 C ATOM 235 C LEU A 169 2.457 4.226 1.138 1.00 0.28 C ATOM 236 O LEU A 169 1.489 3.465 1.073 1.00 0.26 O ATOM 237 CB LEU A 169 4.843 3.514 1.405 1.00 0.47 C ATOM 238 CG LEU A 169 6.194 3.162 0.780 1.00 0.59 C ATOM 239 CD1 LEU A 169 7.185 2.735 1.851 1.00 0.73 C ATOM 240 CD2 LEU A 169 6.026 2.065 -0.262 1.00 0.62 C ATOM 0 H LEU A 169 5.129 5.369 -0.194 1.00 0.40 H new ATOM 0 HA LEU A 169 3.580 3.065 -0.266 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.986 4.337 2.105 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.493 2.660 1.985 1.00 0.47 H new ATOM 0 HG LEU A 169 6.588 4.051 0.286 1.00 0.59 H new ATOM 0 HD11 LEU A 169 8.140 2.489 1.386 1.00 0.73 H new ATOM 0 HD12 LEU A 169 7.327 3.550 2.561 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.800 1.860 2.375 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.996 1.825 -0.698 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.611 1.175 0.211 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.351 2.408 -1.046 1.00 0.62 H new ATOM 252 N LEU A 170 2.444 5.358 1.834 1.00 0.31 N ATOM 253 CA LEU A 170 1.262 5.787 2.567 1.00 0.33 C ATOM 254 C LEU A 170 0.090 5.975 1.612 1.00 0.26 C ATOM 255 O LEU A 170 -1.037 5.573 1.905 1.00 0.27 O ATOM 256 CB LEU A 170 1.542 7.093 3.315 1.00 0.42 C ATOM 257 CG LEU A 170 2.592 6.994 4.422 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.801 8.347 5.083 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.180 5.953 5.452 1.00 0.60 C ATOM 0 H LEU A 170 3.239 5.993 1.905 1.00 0.31 H new ATOM 0 HA LEU A 170 1.007 5.015 3.293 1.00 0.33 H new ATOM 0 HB2 LEU A 170 1.866 7.844 2.594 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.609 7.451 3.751 1.00 0.42 H new ATOM 0 HG LEU A 170 3.536 6.683 3.975 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.552 8.256 5.868 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.140 9.067 4.338 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.861 8.689 5.517 1.00 0.63 H new ATOM 0 HD21 LEU A 170 2.938 5.894 6.233 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.225 6.236 5.894 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.082 4.981 4.968 1.00 0.60 H new ATOM 271 N LEU A 171 0.366 6.589 0.466 1.00 0.23 N ATOM 272 CA LEU A 171 -0.657 6.825 -0.543 1.00 0.22 C ATOM 273 C LEU A 171 -1.219 5.505 -1.057 1.00 0.18 C ATOM 274 O LEU A 171 -2.423 5.373 -1.266 1.00 0.21 O ATOM 275 CB LEU A 171 -0.086 7.640 -1.707 1.00 0.26 C ATOM 276 CG LEU A 171 0.335 9.067 -1.353 1.00 0.33 C ATOM 277 CD1 LEU A 171 0.851 9.792 -2.586 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.827 9.827 -0.731 1.00 0.40 C ATOM 0 H LEU A 171 1.293 6.933 0.214 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.465 7.392 -0.081 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.778 7.112 -2.111 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.832 7.684 -2.500 1.00 0.26 H new ATOM 0 HG LEU A 171 1.142 9.017 -0.622 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.146 10.806 -2.315 1.00 0.39 H new ATOM 0 HD12 LEU A 171 1.712 9.259 -2.988 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.065 9.832 -3.340 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.509 10.840 -0.485 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.655 9.868 -1.438 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -1.150 9.318 0.177 1.00 0.40 H new ATOM 290 N SER A 172 -0.339 4.531 -1.268 1.00 0.16 N ATOM 291 CA SER A 172 -0.757 3.222 -1.754 1.00 0.16 C ATOM 292 C SER A 172 -1.813 2.615 -0.838 1.00 0.15 C ATOM 293 O SER A 172 -2.882 2.208 -1.290 1.00 0.19 O ATOM 294 CB SER A 172 0.447 2.284 -1.852 1.00 0.19 C ATOM 295 OG SER A 172 1.374 2.739 -2.822 1.00 0.23 O ATOM 0 H SER A 172 0.665 4.624 -1.110 1.00 0.16 H new ATOM 0 HA SER A 172 -1.191 3.351 -2.745 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.937 2.215 -0.881 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.109 1.280 -2.111 1.00 0.19 H new ATOM 0 HG SER A 172 1.778 3.579 -2.520 1.00 0.23 H new ATOM 301 N HIS A 173 -1.504 2.557 0.454 1.00 0.13 N ATOM 302 CA HIS A 173 -2.430 2.002 1.433 1.00 0.17 C ATOM 303 C HIS A 173 -3.716 2.823 1.494 1.00 0.22 C ATOM 304 O HIS A 173 -4.814 2.282 1.382 1.00 0.27 O ATOM 305 CB HIS A 173 -1.776 1.947 2.816 1.00 0.20 C ATOM 306 CG HIS A 173 -0.578 1.052 2.876 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.715 1.515 2.749 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.478 -0.287 3.058 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.557 0.501 2.847 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.859 -0.602 3.036 1.00 0.27 N ATOM 0 H HIS A 173 -0.622 2.887 0.846 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.683 0.989 1.121 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.482 2.954 3.110 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.512 1.605 3.544 1.00 0.20 H new ATOM 0 HD1 HIS A 173 0.980 2.489 2.602 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.297 -0.978 3.195 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.633 0.565 2.783 1.00 0.29 H new ATOM 0 HE2 HIS A 173 1.249 -1.538 3.148 1.00 0.27 H new ATOM 319 N LEU A 174 -3.569 4.134 1.669 1.00 0.23 N ATOM 320 CA LEU A 174 -4.721 5.029 1.749 1.00 0.29 C ATOM 321 C LEU A 174 -5.556 4.969 0.474 1.00 0.29 C ATOM 322 O LEU A 174 -6.767 4.754 0.522 1.00 0.34 O ATOM 323 CB LEU A 174 -4.260 6.465 2.004 1.00 0.32 C ATOM 324 CG LEU A 174 -3.508 6.680 3.317 1.00 0.36 C ATOM 325 CD1 LEU A 174 -3.042 8.124 3.432 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.387 6.306 4.501 1.00 0.47 C ATOM 0 H LEU A 174 -2.666 4.600 1.758 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.344 4.700 2.580 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.618 6.776 1.180 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -5.133 7.118 1.992 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.630 6.034 3.323 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.508 8.260 4.373 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.378 8.359 2.600 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.906 8.788 3.405 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.836 6.465 5.428 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.282 6.927 4.500 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.673 5.257 4.425 1.00 0.47 H new ATOM 338 N LEU A 175 -4.901 5.158 -0.667 1.00 0.26 N ATOM 339 CA LEU A 175 -5.584 5.120 -1.955 1.00 0.28 C ATOM 340 C LEU A 175 -6.316 3.796 -2.133 1.00 0.27 C ATOM 341 O LEU A 175 -7.475 3.766 -2.549 1.00 0.29 O ATOM 342 CB LEU A 175 -4.585 5.330 -3.094 1.00 0.30 C ATOM 343 CG LEU A 175 -4.012 6.744 -3.194 1.00 0.33 C ATOM 344 CD1 LEU A 175 -2.996 6.833 -4.322 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.130 7.755 -3.401 1.00 0.41 C ATOM 0 H LEU A 175 -3.899 5.339 -0.726 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.317 5.927 -1.980 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.761 4.628 -2.969 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.074 5.084 -4.037 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.504 6.976 -2.258 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.600 7.847 -4.376 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.180 6.135 -4.133 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.478 6.581 -5.267 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.706 8.757 -3.470 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.665 7.523 -4.322 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.821 7.711 -2.559 1.00 0.41 H new ATOM 357 N ALA A 176 -5.631 2.701 -1.818 1.00 0.26 N ATOM 358 CA ALA A 176 -6.223 1.375 -1.929 1.00 0.27 C ATOM 359 C ALA A 176 -7.552 1.329 -1.183 1.00 0.26 C ATOM 360 O ALA A 176 -8.580 0.928 -1.737 1.00 0.27 O ATOM 361 CB ALA A 176 -5.265 0.324 -1.387 1.00 0.27 C ATOM 0 H ALA A 176 -4.667 2.707 -1.484 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.411 1.159 -2.981 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.719 -0.663 -1.476 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.337 0.349 -1.958 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -5.052 0.532 -0.339 1.00 0.27 H new ATOM 367 N ILE A 177 -7.527 1.751 0.079 1.00 0.27 N ATOM 368 CA ILE A 177 -8.734 1.779 0.890 1.00 0.28 C ATOM 369 C ILE A 177 -9.779 2.666 0.229 1.00 0.26 C ATOM 370 O ILE A 177 -10.959 2.323 0.173 1.00 0.26 O ATOM 371 CB ILE A 177 -8.453 2.298 2.316 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.415 1.413 3.009 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.739 2.343 3.128 1.00 0.33 C ATOM 374 CD1 ILE A 177 -7.042 1.893 4.395 1.00 0.62 C ATOM 0 H ILE A 177 -6.687 2.076 0.557 1.00 0.27 H new ATOM 0 HA ILE A 177 -9.104 0.756 0.967 1.00 0.28 H new ATOM 0 HB ILE A 177 -8.054 3.310 2.244 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.803 0.397 3.077 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.516 1.370 2.394 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.523 2.711 4.131 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.453 3.009 2.643 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -10.164 1.341 3.193 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.302 1.219 4.827 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.624 2.898 4.332 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.931 1.909 5.026 1.00 0.62 H new ATOM 386 N GLY A 178 -9.330 3.812 -0.279 1.00 0.26 N ATOM 387 CA GLY A 178 -10.233 4.729 -0.945 1.00 0.27 C ATOM 388 C GLY A 178 -11.021 4.043 -2.040 1.00 0.26 C ATOM 389 O GLY A 178 -12.227 4.251 -2.170 1.00 0.28 O ATOM 0 H GLY A 178 -8.358 4.119 -0.240 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.921 5.157 -0.215 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.664 5.556 -1.370 1.00 0.27 H new ATOM 393 N LEU A 179 -10.337 3.220 -2.830 1.00 0.25 N ATOM 394 CA LEU A 179 -10.985 2.491 -3.911 1.00 0.27 C ATOM 395 C LEU A 179 -12.075 1.587 -3.353 1.00 0.26 C ATOM 396 O LEU A 179 -13.189 1.541 -3.876 1.00 0.28 O ATOM 397 CB LEU A 179 -9.962 1.657 -4.687 1.00 0.33 C ATOM 398 CG LEU A 179 -8.820 2.452 -5.321 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.905 1.531 -6.112 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.371 3.554 -6.214 1.00 0.43 C ATOM 0 H LEU A 179 -9.336 3.043 -2.741 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.434 3.213 -4.593 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.536 0.915 -4.012 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.484 1.111 -5.473 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.237 2.914 -4.524 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.098 2.114 -6.556 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.484 0.777 -5.447 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.476 1.041 -6.901 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.545 4.110 -6.657 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -9.977 3.112 -7.005 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -9.986 4.230 -5.620 1.00 0.43 H new ATOM 412 N GLY A 180 -11.743 0.867 -2.285 1.00 0.25 N ATOM 413 CA GLY A 180 -12.709 -0.020 -1.664 1.00 0.27 C ATOM 414 C GLY A 180 -13.949 0.722 -1.204 1.00 0.26 C ATOM 415 O GLY A 180 -15.072 0.255 -1.404 1.00 0.29 O ATOM 0 H GLY A 180 -10.825 0.882 -1.840 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.994 -0.798 -2.372 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.248 -0.518 -0.811 1.00 0.27 H new ATOM 419 N ILE A 181 -13.745 1.882 -0.586 1.00 0.28 N ATOM 420 CA ILE A 181 -14.851 2.698 -0.102 1.00 0.34 C ATOM 421 C ILE A 181 -15.791 3.068 -1.246 1.00 0.32 C ATOM 422 O ILE A 181 -17.011 2.994 -1.110 1.00 0.36 O ATOM 423 CB ILE A 181 -14.343 3.988 0.577 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.426 3.642 1.752 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.510 4.843 1.046 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.126 2.890 2.864 1.00 0.89 C ATOM 0 H ILE A 181 -12.822 2.277 -0.409 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.392 2.104 0.634 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.772 4.561 -0.154 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.592 3.042 1.387 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.004 4.562 2.156 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.130 5.747 1.522 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.129 5.115 0.191 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.109 4.280 1.762 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.416 2.678 3.663 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -14.943 3.497 3.256 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.524 1.953 2.475 1.00 0.89 H new ATOM 438 N TYR A 182 -15.209 3.468 -2.372 1.00 0.31 N ATOM 439 CA TYR A 182 -15.989 3.849 -3.544 1.00 0.35 C ATOM 440 C TYR A 182 -16.850 2.684 -4.022 1.00 0.36 C ATOM 441 O TYR A 182 -18.049 2.839 -4.252 1.00 0.42 O ATOM 442 CB TYR A 182 -15.060 4.309 -4.669 1.00 0.39 C ATOM 443 CG TYR A 182 -15.784 4.696 -5.939 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.276 5.983 -6.117 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.974 3.774 -6.960 1.00 1.43 C ATOM 446 CE1 TYR A 182 -16.935 6.341 -7.278 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.632 4.124 -8.124 1.00 1.56 C ATOM 448 CZ TYR A 182 -17.111 5.407 -8.277 1.00 0.81 C ATOM 449 OH TYR A 182 -17.767 5.758 -9.435 1.00 0.98 O ATOM 0 H TYR A 182 -14.199 3.537 -2.498 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.646 4.673 -3.265 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.477 5.161 -4.320 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.354 3.510 -4.894 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.141 6.716 -5.335 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -15.602 2.767 -6.843 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -17.310 7.346 -7.402 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.770 3.396 -8.910 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.805 4.985 -10.036 1.00 0.98 H new ATOM 459 N ILE A 183 -16.231 1.520 -4.172 1.00 0.35 N ATOM 460 CA ILE A 183 -16.941 0.330 -4.623 1.00 0.43 C ATOM 461 C ILE A 183 -18.037 -0.068 -3.639 1.00 0.45 C ATOM 462 O ILE A 183 -19.178 -0.311 -4.031 1.00 0.55 O ATOM 463 CB ILE A 183 -15.980 -0.860 -4.808 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.854 -0.491 -5.775 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.735 -2.081 -5.311 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.850 -1.603 -5.985 1.00 0.83 C ATOM 0 H ILE A 183 -15.238 1.375 -3.988 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.393 0.579 -5.583 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.540 -1.102 -3.841 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.287 -0.217 -6.737 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.335 0.390 -5.397 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -16.041 -2.912 -5.436 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.504 -2.356 -4.589 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.202 -1.851 -6.269 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -13.080 -1.271 -6.682 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.389 -1.862 -5.032 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.356 -2.478 -6.393 1.00 0.83 H new ATOM 478 N GLY A 184 -17.683 -0.132 -2.358 1.00 0.40 N ATOM 479 CA GLY A 184 -18.647 -0.512 -1.338 1.00 0.46 C ATOM 480 C GLY A 184 -19.837 0.427 -1.266 1.00 0.52 C ATOM 481 O GLY A 184 -20.984 -0.015 -1.323 1.00 0.64 O ATOM 0 H GLY A 184 -16.747 0.072 -2.008 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -19.001 -1.523 -1.539 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.151 -0.535 -0.368 1.00 0.46 H new ATOM 485 N ARG A 185 -19.567 1.722 -1.141 1.00 0.48 N ATOM 486 CA ARG A 185 -20.632 2.717 -1.058 1.00 0.59 C ATOM 487 C ARG A 185 -21.478 2.729 -2.330 1.00 0.67 C ATOM 488 O ARG A 185 -22.596 3.242 -2.336 1.00 0.83 O ATOM 489 CB ARG A 185 -20.044 4.105 -0.794 1.00 0.59 C ATOM 490 CG ARG A 185 -19.113 4.592 -1.888 1.00 0.51 C ATOM 491 CD ARG A 185 -19.861 5.389 -2.943 1.00 0.85 C ATOM 492 NE ARG A 185 -20.472 6.592 -2.384 1.00 1.32 N ATOM 493 CZ ARG A 185 -21.443 7.272 -2.982 1.00 1.98 C ATOM 494 NH1 ARG A 185 -21.917 6.867 -4.154 1.00 2.27 N ATOM 495 NH2 ARG A 185 -21.944 8.358 -2.410 1.00 2.54 N ATOM 0 H ARG A 185 -18.624 2.107 -1.095 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.282 2.446 -0.226 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.859 4.819 -0.679 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.501 4.086 0.151 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.329 5.211 -1.451 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.622 3.739 -2.356 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -19.174 5.668 -3.742 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.633 4.764 -3.391 1.00 0.85 H new ATOM 0 HE ARG A 185 -20.133 6.929 -1.483 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -21.535 6.031 -4.597 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -22.663 7.391 -4.611 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -21.584 8.672 -1.509 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -22.690 8.879 -2.871 1.00 2.54 H new ATOM 509 N ARG A 186 -20.941 2.160 -3.407 1.00 0.63 N ATOM 510 CA ARG A 186 -21.660 2.098 -4.676 1.00 0.74 C ATOM 511 C ARG A 186 -22.647 0.927 -4.703 1.00 0.85 C ATOM 512 O ARG A 186 -23.275 0.666 -5.729 1.00 1.06 O ATOM 513 CB ARG A 186 -20.673 1.968 -5.836 1.00 0.80 C ATOM 514 CG ARG A 186 -20.064 3.292 -6.271 1.00 1.24 C ATOM 515 CD ARG A 186 -21.111 4.208 -6.885 1.00 1.58 C ATOM 516 NE ARG A 186 -20.525 5.446 -7.390 1.00 2.38 N ATOM 517 CZ ARG A 186 -21.212 6.361 -8.067 1.00 2.95 C ATOM 518 NH1 ARG A 186 -22.502 6.177 -8.312 1.00 2.93 N ATOM 519 NH2 ARG A 186 -20.610 7.459 -8.499 1.00 3.95 N ATOM 0 H ARG A 186 -20.013 1.737 -3.426 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.226 3.023 -4.782 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -19.872 1.288 -5.546 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.183 1.516 -6.687 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.607 3.784 -5.412 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -19.269 3.109 -6.994 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -21.616 3.687 -7.699 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -21.869 4.444 -6.138 1.00 1.58 H new ATOM 0 HE ARG A 186 -19.535 5.618 -7.214 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -22.969 5.333 -7.981 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -23.028 6.880 -8.832 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -19.618 7.604 -8.312 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -21.139 8.160 -9.018 1.00 3.95 H new ATOM 775 N PRO B 167 7.739 -7.732 -1.969 1.00 0.73 N ATOM 776 CA PRO B 167 6.426 -8.367 -2.149 1.00 0.63 C ATOM 777 C PRO B 167 5.361 -7.752 -1.248 1.00 0.56 C ATOM 778 O PRO B 167 4.200 -7.629 -1.637 1.00 0.69 O ATOM 779 CB PRO B 167 6.675 -9.824 -1.756 1.00 0.87 C ATOM 780 CG PRO B 167 7.838 -9.768 -0.832 1.00 1.07 C ATOM 781 CD PRO B 167 8.707 -8.653 -1.339 1.00 0.96 C ATOM 0 HA PRO B 167 6.051 -8.244 -3.165 1.00 0.63 H new ATOM 0 HB2 PRO B 167 5.802 -10.258 -1.269 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.892 -10.439 -2.629 1.00 0.87 H new ATOM 0 HG2 PRO B 167 7.516 -9.579 0.192 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.379 -10.714 -0.826 1.00 1.07 H new ATOM 0 HD2 PRO B 167 9.255 -8.170 -0.530 1.00 0.96 H new ATOM 0 HD3 PRO B 167 9.446 -9.012 -2.055 1.00 0.96 H new ATOM 789 N SER B 168 5.765 -7.367 -0.042 1.00 0.55 N ATOM 790 CA SER B 168 4.845 -6.767 0.915 1.00 0.55 C ATOM 791 C SER B 168 4.069 -5.619 0.280 1.00 0.44 C ATOM 792 O SER B 168 2.864 -5.483 0.488 1.00 0.41 O ATOM 793 CB SER B 168 5.609 -6.264 2.141 1.00 0.72 C ATOM 794 OG SER B 168 4.731 -5.661 3.076 1.00 1.59 O ATOM 0 H SER B 168 6.723 -7.460 0.295 1.00 0.55 H new ATOM 0 HA SER B 168 4.134 -7.533 1.226 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.133 -7.095 2.613 1.00 0.72 H new ATOM 0 HB3 SER B 168 6.366 -5.544 1.831 1.00 0.72 H new ATOM 0 HG SER B 168 5.243 -5.349 3.851 1.00 1.59 H new ATOM 800 N LEU B 169 4.766 -4.798 -0.497 1.00 0.46 N ATOM 801 CA LEU B 169 4.140 -3.660 -1.161 1.00 0.45 C ATOM 802 C LEU B 169 2.935 -4.111 -1.982 1.00 0.33 C ATOM 803 O LEU B 169 1.842 -3.555 -1.858 1.00 0.31 O ATOM 804 CB LEU B 169 5.153 -2.948 -2.059 1.00 0.60 C ATOM 805 CG LEU B 169 6.434 -2.499 -1.354 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.302 -1.678 -2.295 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.099 -1.705 -0.101 1.00 0.77 C ATOM 0 H LEU B 169 5.764 -4.899 -0.683 1.00 0.46 H new ATOM 0 HA LEU B 169 3.795 -2.964 -0.397 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.421 -3.614 -2.879 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.674 -2.075 -2.501 1.00 0.60 H new ATOM 0 HG LEU B 169 6.996 -3.385 -1.059 1.00 0.77 H new ATOM 0 HD11 LEU B 169 8.209 -1.368 -1.776 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.569 -2.281 -3.163 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.751 -0.796 -2.622 1.00 1.09 H new ATOM 0 HD21 LEU B 169 7.021 -1.393 0.389 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.517 -0.825 -0.373 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.519 -2.328 0.580 1.00 0.77 H new ATOM 819 N LEU B 170 3.140 -5.126 -2.816 1.00 0.34 N ATOM 820 CA LEU B 170 2.070 -5.651 -3.652 1.00 0.36 C ATOM 821 C LEU B 170 0.933 -6.184 -2.787 1.00 0.28 C ATOM 822 O LEU B 170 -0.241 -5.932 -3.062 1.00 0.32 O ATOM 823 CB LEU B 170 2.598 -6.755 -4.573 1.00 0.47 C ATOM 824 CG LEU B 170 3.494 -6.278 -5.721 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.734 -5.577 -5.188 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.887 -7.449 -6.610 1.00 0.72 C ATOM 0 H LEU B 170 4.036 -5.599 -2.930 1.00 0.34 H new ATOM 0 HA LEU B 170 1.688 -4.839 -4.270 1.00 0.36 H new ATOM 0 HB2 LEU B 170 3.157 -7.471 -3.971 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.748 -7.290 -4.996 1.00 0.47 H new ATOM 0 HG LEU B 170 2.929 -5.561 -6.317 1.00 0.59 H new ATOM 0 HD11 LEU B 170 5.353 -5.248 -6.023 1.00 0.60 H new ATOM 0 HD12 LEU B 170 4.436 -4.713 -4.594 1.00 0.60 H new ATOM 0 HD13 LEU B 170 5.302 -6.267 -4.564 1.00 0.60 H new ATOM 0 HD21 LEU B 170 4.523 -7.093 -7.420 1.00 0.72 H new ATOM 0 HD22 LEU B 170 4.430 -8.188 -6.020 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.990 -7.906 -7.027 1.00 0.72 H new ATOM 838 N LEU B 171 1.289 -6.920 -1.738 1.00 0.24 N ATOM 839 CA LEU B 171 0.299 -7.476 -0.824 1.00 0.26 C ATOM 840 C LEU B 171 -0.482 -6.356 -0.146 1.00 0.23 C ATOM 841 O LEU B 171 -1.698 -6.443 0.019 1.00 0.29 O ATOM 842 CB LEU B 171 0.976 -8.356 0.230 1.00 0.32 C ATOM 843 CG LEU B 171 1.663 -9.610 -0.316 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.245 -10.438 0.819 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.686 -10.439 -1.136 1.00 0.50 C ATOM 0 H LEU B 171 2.255 -7.145 -1.501 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.393 -8.091 -1.399 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.716 -7.757 0.760 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.228 -8.660 0.962 1.00 0.32 H new ATOM 0 HG LEU B 171 2.480 -9.298 -0.967 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.729 -11.325 0.411 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.978 -9.843 1.365 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.446 -10.740 1.496 1.00 0.47 H new ATOM 0 HD21 LEU B 171 1.192 -11.327 -1.516 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.152 -10.740 -0.508 1.00 0.50 H new ATOM 0 HD23 LEU B 171 0.318 -9.845 -1.972 1.00 0.50 H new ATOM 857 N SER B 172 0.229 -5.304 0.250 1.00 0.18 N ATOM 858 CA SER B 172 -0.398 -4.163 0.903 1.00 0.19 C ATOM 859 C SER B 172 -1.522 -3.606 0.040 1.00 0.14 C ATOM 860 O SER B 172 -2.605 -3.299 0.536 1.00 0.18 O ATOM 861 CB SER B 172 0.637 -3.071 1.183 1.00 0.23 C ATOM 862 OG SER B 172 1.592 -3.504 2.136 1.00 0.31 O ATOM 0 H SER B 172 1.238 -5.220 0.130 1.00 0.18 H new ATOM 0 HA SER B 172 -0.818 -4.500 1.851 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.142 -2.798 0.256 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.135 -2.175 1.548 1.00 0.23 H new ATOM 0 HG SER B 172 2.167 -4.189 1.735 1.00 0.31 H new ATOM 868 N HIS B 173 -1.259 -3.478 -1.257 1.00 0.12 N ATOM 869 CA HIS B 173 -2.255 -2.959 -2.187 1.00 0.15 C ATOM 870 C HIS B 173 -3.484 -3.861 -2.225 1.00 0.20 C ATOM 871 O HIS B 173 -4.610 -3.400 -2.045 1.00 0.25 O ATOM 872 CB HIS B 173 -1.661 -2.838 -3.591 1.00 0.19 C ATOM 873 CG HIS B 173 -0.562 -1.828 -3.694 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.775 -2.166 -3.687 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.605 -0.480 -3.817 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.506 -1.072 -3.800 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.692 -0.035 -3.882 1.00 0.28 N ATOM 0 H HIS B 173 -0.368 -3.726 -1.686 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.557 -1.971 -1.840 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.278 -3.811 -3.899 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.454 -2.572 -4.290 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.142 -3.114 -3.607 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.494 0.131 -3.857 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.585 -1.032 -3.822 1.00 0.30 H new ATOM 0 HE2 HIS B 173 0.980 0.939 -3.978 1.00 0.28 H new ATOM 886 N LEU B 174 -3.263 -5.152 -2.451 1.00 0.21 N ATOM 887 CA LEU B 174 -4.361 -6.111 -2.509 1.00 0.28 C ATOM 888 C LEU B 174 -5.150 -6.107 -1.205 1.00 0.28 C ATOM 889 O LEU B 174 -6.371 -5.962 -1.207 1.00 0.31 O ATOM 890 CB LEU B 174 -3.825 -7.517 -2.791 1.00 0.32 C ATOM 891 CG LEU B 174 -3.151 -7.694 -4.152 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.616 -9.109 -4.302 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.125 -7.369 -5.273 1.00 0.44 C ATOM 0 H LEU B 174 -2.338 -5.557 -2.596 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.028 -5.816 -3.319 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.109 -7.779 -2.012 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.650 -8.225 -2.717 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.311 -7.002 -4.214 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.140 -9.217 -5.277 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.886 -9.307 -3.517 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.438 -9.820 -4.220 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.629 -7.500 -6.235 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.984 -8.037 -5.214 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.461 -6.337 -5.175 1.00 0.44 H new ATOM 905 N LEU B 175 -4.441 -6.268 -0.093 1.00 0.27 N ATOM 906 CA LEU B 175 -5.070 -6.279 1.221 1.00 0.30 C ATOM 907 C LEU B 175 -5.736 -4.941 1.525 1.00 0.27 C ATOM 908 O LEU B 175 -6.846 -4.895 2.057 1.00 0.28 O ATOM 909 CB LEU B 175 -4.036 -6.601 2.301 1.00 0.33 C ATOM 910 CG LEU B 175 -3.390 -7.981 2.187 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.359 -8.179 3.286 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.450 -9.072 2.245 1.00 0.46 C ATOM 0 H LEU B 175 -3.429 -6.393 -0.076 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.839 -7.052 1.217 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.251 -5.845 2.268 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.515 -6.520 3.277 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.882 -8.046 1.225 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -1.909 -9.167 3.189 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.584 -7.417 3.199 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.843 -8.095 4.259 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -3.972 -10.048 2.162 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -4.985 -9.009 3.192 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.152 -8.941 1.422 1.00 0.46 H new ATOM 924 N ALA B 176 -5.052 -3.852 1.184 1.00 0.25 N ATOM 925 CA ALA B 176 -5.572 -2.511 1.431 1.00 0.23 C ATOM 926 C ALA B 176 -6.908 -2.289 0.728 1.00 0.20 C ATOM 927 O ALA B 176 -7.887 -1.880 1.353 1.00 0.20 O ATOM 928 CB ALA B 176 -4.563 -1.464 0.989 1.00 0.24 C ATOM 0 H ALA B 176 -4.136 -3.872 0.736 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.741 -2.413 2.503 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -4.964 -0.469 1.179 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.636 -1.594 1.547 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.364 -1.577 -0.077 1.00 0.24 H new ATOM 934 N ILE B 177 -6.947 -2.560 -0.572 1.00 0.20 N ATOM 935 CA ILE B 177 -8.169 -2.387 -1.347 1.00 0.20 C ATOM 936 C ILE B 177 -9.306 -3.209 -0.749 1.00 0.20 C ATOM 937 O ILE B 177 -10.425 -2.719 -0.593 1.00 0.20 O ATOM 938 CB ILE B 177 -7.963 -2.785 -2.825 1.00 0.24 C ATOM 939 CG1 ILE B 177 -6.891 -1.899 -3.463 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.269 -2.678 -3.602 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.526 -2.311 -4.873 1.00 0.31 C ATOM 0 H ILE B 177 -6.149 -2.899 -1.109 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.431 -1.330 -1.309 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.631 -3.823 -2.859 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.243 -0.868 -3.474 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -5.995 -1.923 -2.843 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.099 -2.963 -4.640 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.011 -3.343 -3.160 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.633 -1.651 -3.563 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -5.761 -1.639 -5.262 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.143 -3.332 -4.866 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.411 -2.260 -5.508 1.00 0.31 H new ATOM 953 N GLY B 178 -9.012 -4.461 -0.412 1.00 0.23 N ATOM 954 CA GLY B 178 -10.020 -5.321 0.175 1.00 0.26 C ATOM 955 C GLY B 178 -10.644 -4.699 1.406 1.00 0.24 C ATOM 956 O GLY B 178 -11.864 -4.706 1.566 1.00 0.26 O ATOM 0 H GLY B 178 -8.096 -4.893 -0.535 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.797 -5.526 -0.562 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.571 -6.278 0.440 1.00 0.26 H new ATOM 960 N LEU B 179 -9.801 -4.158 2.281 1.00 0.25 N ATOM 961 CA LEU B 179 -10.277 -3.517 3.499 1.00 0.28 C ATOM 962 C LEU B 179 -11.277 -2.420 3.158 1.00 0.25 C ATOM 963 O LEU B 179 -12.341 -2.322 3.768 1.00 0.29 O ATOM 964 CB LEU B 179 -9.105 -2.931 4.291 1.00 0.33 C ATOM 965 CG LEU B 179 -8.116 -3.961 4.840 1.00 0.39 C ATOM 966 CD1 LEU B 179 -6.934 -3.267 5.499 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.807 -4.889 5.826 1.00 0.43 C ATOM 0 H LEU B 179 -8.787 -4.152 2.168 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.771 -4.269 4.115 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.564 -2.236 3.649 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.503 -2.352 5.124 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.743 -4.558 4.008 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.241 -4.015 5.884 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.424 -2.643 4.766 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.289 -2.645 6.321 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.089 -5.615 6.207 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.207 -4.306 6.655 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.621 -5.412 5.324 1.00 0.43 H new ATOM 979 N GLY B 180 -10.926 -1.597 2.174 1.00 0.22 N ATOM 980 CA GLY B 180 -11.805 -0.522 1.758 1.00 0.23 C ATOM 981 C GLY B 180 -13.183 -1.027 1.383 1.00 0.22 C ATOM 982 O GLY B 180 -14.192 -0.412 1.726 1.00 0.27 O ATOM 0 H GLY B 180 -10.048 -1.657 1.658 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -11.893 0.206 2.564 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.365 -0.003 0.906 1.00 0.23 H new ATOM 986 N ILE B 181 -13.225 -2.151 0.675 1.00 0.21 N ATOM 987 CA ILE B 181 -14.490 -2.745 0.257 1.00 0.27 C ATOM 988 C ILE B 181 -15.339 -3.118 1.467 1.00 0.29 C ATOM 989 O ILE B 181 -16.533 -2.821 1.517 1.00 0.35 O ATOM 990 CB ILE B 181 -14.263 -4.002 -0.607 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.438 -3.657 -1.847 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.594 -4.624 -1.010 1.00 0.44 C ATOM 993 CD1 ILE B 181 -13.218 -4.835 -2.770 1.00 0.93 C ATOM 0 H ILE B 181 -12.398 -2.669 0.379 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.014 -1.998 -0.339 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.709 -4.730 -0.014 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -13.940 -2.862 -2.398 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.470 -3.265 -1.533 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.412 -5.510 -1.619 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.149 -4.906 -0.116 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.174 -3.902 -1.584 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.626 -4.519 -3.629 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.689 -5.623 -2.234 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.181 -5.213 -3.113 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.713 -3.771 2.440 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.407 -4.188 3.652 1.00 0.40 C ATOM 1007 C TYR B 182 -15.988 -2.986 4.389 1.00 0.44 C ATOM 1008 O TYR B 182 -17.143 -3.002 4.811 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.454 -4.958 4.570 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.075 -5.365 5.887 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.863 -6.505 5.983 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -14.871 -4.610 7.035 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -16.430 -6.881 7.186 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -15.435 -4.979 8.242 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.214 -6.115 8.312 1.00 0.84 C ATOM 1016 OH TYR B 182 -16.777 -6.486 9.511 1.00 0.99 O ATOM 0 H TYR B 182 -13.725 -4.023 2.412 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.229 -4.843 3.364 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -14.106 -5.851 4.051 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.577 -4.342 4.767 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -16.035 -7.107 5.103 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -14.262 -3.720 6.984 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -17.039 -7.771 7.244 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -15.267 -4.381 9.125 1.00 1.30 H new ATOM 0 HH TYR B 182 -16.526 -5.840 10.204 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.178 -1.947 4.551 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.616 -0.738 5.238 1.00 0.55 C ATOM 1028 C ILE B 183 -16.763 -0.056 4.495 1.00 0.56 C ATOM 1029 O ILE B 183 -17.770 0.311 5.099 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.457 0.264 5.405 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.291 -0.392 6.145 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -14.930 1.505 6.149 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.130 0.546 6.398 1.00 1.10 C ATOM 0 H ILE B 183 -14.215 -1.917 4.216 1.00 0.44 H new ATOM 0 HA ILE B 183 -15.966 -1.048 6.223 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.114 0.566 4.416 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -13.649 -0.780 7.099 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -12.938 -1.246 5.566 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.099 2.202 6.258 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -15.733 1.982 5.587 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.297 1.220 7.135 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.340 0.013 6.926 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -11.746 0.914 5.447 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.467 1.387 7.003 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.603 0.108 3.184 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.621 0.762 2.374 1.00 0.55 C ATOM 1047 C GLY B 184 -18.996 0.129 2.497 1.00 0.61 C ATOM 1048 O GLY B 184 -19.982 0.820 2.751 1.00 0.72 O ATOM 0 H GLY B 184 -15.782 -0.202 2.664 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -17.686 1.811 2.664 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.312 0.739 1.329 1.00 0.55 H new ATOM 1052 N ARG B 185 -19.068 -1.182 2.304 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.338 -1.897 2.390 1.00 0.70 C ATOM 1054 C ARG B 185 -20.967 -1.748 3.771 1.00 0.81 C ATOM 1055 O ARG B 185 -22.177 -1.908 3.933 1.00 0.96 O ATOM 1056 CB ARG B 185 -20.130 -3.377 2.078 1.00 0.71 C ATOM 1057 CG ARG B 185 -19.089 -4.035 2.961 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.427 -5.491 3.240 1.00 0.80 C ATOM 1059 NE ARG B 185 -19.883 -6.189 2.041 1.00 1.20 N ATOM 1060 CZ ARG B 185 -20.088 -7.500 1.984 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -19.875 -8.253 3.053 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -20.505 -8.061 0.857 1.00 2.16 N ATOM 0 H ARG B 185 -18.265 -1.772 2.087 1.00 0.58 H new ATOM 0 HA ARG B 185 -21.016 -1.461 1.656 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -21.078 -3.902 2.193 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.831 -3.483 1.035 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -18.113 -3.974 2.480 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.015 -3.492 3.903 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.548 -5.996 3.641 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -20.201 -5.543 4.005 1.00 0.80 H new ATOM 0 HE ARG B 185 -20.054 -5.638 1.200 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -19.553 -7.826 3.922 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -20.033 -9.260 3.007 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -20.669 -7.485 0.031 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -20.662 -9.068 0.816 1.00 2.16 H new