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 : +bothHN:sc= -1.21! C(o=0.14!,f=-8.4!) USER MOD Set 1.2: B 172 SER OG : rot 61:sc= 1.35 USER MOD Set 2.1: A 172 SER OG : rot -124:sc= 0.127 USER MOD Set 2.2: B 173 HIS : no HE2:sc= -2.47! C(o=-2.3!,f=-7.7!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 179:sc= -2.92! 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 6.838 8.298 1.156 1.00 0.73 N ATOM 209 CA PRO A 167 5.492 8.865 1.011 1.00 0.67 C ATOM 210 C PRO A 167 4.649 8.107 -0.009 1.00 0.55 C ATOM 211 O PRO A 167 3.428 8.018 0.123 1.00 0.58 O ATOM 212 CB PRO A 167 5.747 10.299 0.531 1.00 0.86 C ATOM 213 CG PRO A 167 7.116 10.269 -0.051 1.00 0.98 C ATOM 214 CD PRO A 167 7.882 9.258 0.754 1.00 0.91 C ATOM 0 HA PRO A 167 4.931 8.810 1.944 1.00 0.67 H new ATOM 0 HB2 PRO A 167 5.009 10.605 -0.210 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.683 11.009 1.356 1.00 0.86 H new ATOM 0 HG2 PRO A 167 7.087 9.989 -1.104 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.586 11.251 0.005 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.664 8.781 0.164 1.00 0.91 H new ATOM 0 HD3 PRO A 167 8.367 9.713 1.618 1.00 0.91 H new ATOM 222 N SER A 168 5.306 7.561 -1.026 1.00 0.55 N ATOM 223 CA SER A 168 4.613 6.811 -2.066 1.00 0.52 C ATOM 224 C SER A 168 3.855 5.627 -1.472 1.00 0.39 C ATOM 225 O SER A 168 2.709 5.368 -1.836 1.00 0.33 O ATOM 226 CB SER A 168 5.607 6.320 -3.122 1.00 0.66 C ATOM 227 OG SER A 168 6.234 7.410 -3.778 1.00 1.47 O ATOM 0 H SER A 168 6.316 7.624 -1.152 1.00 0.55 H new ATOM 0 HA SER A 168 3.893 7.478 -2.540 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.363 5.692 -2.650 1.00 0.66 H new ATOM 0 HB3 SER A 168 5.089 5.700 -3.854 1.00 0.66 H new ATOM 0 HG SER A 168 6.865 7.070 -4.446 1.00 1.47 H new ATOM 233 N LEU A 169 4.503 4.913 -0.556 1.00 0.40 N ATOM 234 CA LEU A 169 3.886 3.758 0.086 1.00 0.36 C ATOM 235 C LEU A 169 2.613 4.160 0.823 1.00 0.28 C ATOM 236 O LEU A 169 1.568 3.527 0.670 1.00 0.26 O ATOM 237 CB LEU A 169 4.865 3.101 1.061 1.00 0.47 C ATOM 238 CG LEU A 169 6.157 2.584 0.429 1.00 0.59 C ATOM 239 CD1 LEU A 169 7.013 1.877 1.468 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.844 1.652 -0.733 1.00 0.62 C ATOM 0 H LEU A 169 5.453 5.114 -0.243 1.00 0.40 H new ATOM 0 HA LEU A 169 3.625 3.041 -0.693 1.00 0.36 H new ATOM 0 HB2 LEU A 169 5.121 3.823 1.837 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.361 2.269 1.553 1.00 0.47 H new ATOM 0 HG LEU A 169 6.719 3.435 0.045 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.929 1.516 1.000 1.00 0.73 H new ATOM 0 HD12 LEU A 169 7.265 2.574 2.267 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.460 1.034 1.882 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.775 1.293 -1.172 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.262 0.804 -0.373 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.271 2.191 -1.488 1.00 0.62 H new ATOM 252 N LEU A 170 2.708 5.218 1.622 1.00 0.31 N ATOM 253 CA LEU A 170 1.564 5.706 2.383 1.00 0.33 C ATOM 254 C LEU A 170 0.359 5.927 1.476 1.00 0.26 C ATOM 255 O LEU A 170 -0.734 5.430 1.748 1.00 0.27 O ATOM 256 CB LEU A 170 1.923 7.006 3.105 1.00 0.42 C ATOM 257 CG LEU A 170 3.046 6.887 4.136 1.00 0.52 C ATOM 258 CD1 LEU A 170 3.300 8.229 4.807 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.706 5.827 5.172 1.00 0.60 C ATOM 0 H LEU A 170 3.565 5.754 1.759 1.00 0.31 H new ATOM 0 HA LEU A 170 1.302 4.949 3.122 1.00 0.33 H new ATOM 0 HB2 LEU A 170 2.211 7.749 2.361 1.00 0.42 H new ATOM 0 HB3 LEU A 170 1.031 7.384 3.604 1.00 0.42 H new ATOM 0 HG LEU A 170 3.957 6.584 3.620 1.00 0.52 H new ATOM 0 HD11 LEU A 170 4.102 8.125 5.537 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.588 8.963 4.055 1.00 0.63 H new ATOM 0 HD13 LEU A 170 2.392 8.562 5.310 1.00 0.63 H new ATOM 0 HD21 LEU A 170 3.516 5.755 5.898 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.783 6.101 5.683 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.575 4.864 4.678 1.00 0.60 H new ATOM 271 N LEU A 171 0.563 6.676 0.397 1.00 0.23 N ATOM 272 CA LEU A 171 -0.511 6.963 -0.547 1.00 0.22 C ATOM 273 C LEU A 171 -1.146 5.674 -1.058 1.00 0.18 C ATOM 274 O LEU A 171 -2.368 5.573 -1.161 1.00 0.21 O ATOM 275 CB LEU A 171 0.018 7.786 -1.723 1.00 0.26 C ATOM 276 CG LEU A 171 0.620 9.142 -1.349 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.007 9.917 -2.598 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.359 9.944 -0.506 1.00 0.40 C ATOM 0 H LEU A 171 1.461 7.095 0.155 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.274 7.540 -0.024 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.776 7.201 -2.244 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.798 7.950 -2.427 1.00 0.26 H new ATOM 0 HG LEU A 171 1.521 8.968 -0.760 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.433 10.879 -2.312 1.00 0.39 H new ATOM 0 HD12 LEU A 171 1.743 9.348 -3.166 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.122 10.081 -3.213 1.00 0.39 H new ATOM 0 HD21 LEU A 171 0.085 10.906 -0.249 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.277 10.108 -1.071 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.588 9.394 0.407 1.00 0.40 H new ATOM 290 N SER A 172 -0.311 4.692 -1.378 1.00 0.16 N ATOM 291 CA SER A 172 -0.796 3.410 -1.878 1.00 0.16 C ATOM 292 C SER A 172 -1.800 2.790 -0.911 1.00 0.15 C ATOM 293 O SER A 172 -2.903 2.413 -1.304 1.00 0.19 O ATOM 294 CB SER A 172 0.374 2.448 -2.098 1.00 0.19 C ATOM 295 OG SER A 172 1.226 2.908 -3.132 1.00 0.23 O ATOM 0 H SER A 172 0.704 4.758 -1.300 1.00 0.16 H new ATOM 0 HA SER A 172 -1.297 3.588 -2.829 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.942 2.344 -1.174 1.00 0.19 H new ATOM 0 HB3 SER A 172 -0.007 1.459 -2.350 1.00 0.19 H new ATOM 0 HG SER A 172 1.309 2.215 -3.820 1.00 0.23 H new ATOM 301 N HIS A 173 -1.408 2.686 0.354 1.00 0.13 N ATOM 302 CA HIS A 173 -2.273 2.111 1.379 1.00 0.17 C ATOM 303 C HIS A 173 -3.542 2.939 1.552 1.00 0.22 C ATOM 304 O HIS A 173 -4.651 2.408 1.522 1.00 0.27 O ATOM 305 CB HIS A 173 -1.526 2.017 2.710 1.00 0.20 C ATOM 306 CG HIS A 173 -0.292 1.171 2.643 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.939 1.663 2.261 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.102 -0.142 2.913 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.832 0.689 2.299 1.00 0.29 C ATOM 310 NE2 HIS A 173 1.226 -0.415 2.692 1.00 0.27 N ATOM 0 H HIS A 173 -0.497 2.992 0.695 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.558 1.109 1.057 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.252 3.020 3.036 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.197 1.609 3.466 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.130 2.628 1.991 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -0.854 -0.844 3.241 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.879 0.781 2.051 1.00 0.29 H new ATOM 0 HE2 HIS A 173 1.672 -1.325 2.812 1.00 0.27 H new ATOM 319 N LEU A 174 -3.368 4.244 1.734 1.00 0.23 N ATOM 320 CA LEU A 174 -4.496 5.152 1.917 1.00 0.29 C ATOM 321 C LEU A 174 -5.423 5.128 0.704 1.00 0.29 C ATOM 322 O LEU A 174 -6.633 4.938 0.838 1.00 0.34 O ATOM 323 CB LEU A 174 -3.990 6.576 2.159 1.00 0.32 C ATOM 324 CG LEU A 174 -3.054 6.737 3.357 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.526 8.161 3.434 1.00 0.41 C ATOM 326 CD2 LEU A 174 -3.771 6.361 4.646 1.00 0.47 C ATOM 0 H LEU A 174 -2.455 4.698 1.759 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.062 4.818 2.786 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.471 6.917 1.264 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.850 7.232 2.299 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.206 6.064 3.226 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -1.862 8.257 4.293 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -1.977 8.395 2.522 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.361 8.853 3.542 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.091 6.481 5.489 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -4.637 7.009 4.783 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.100 5.323 4.590 1.00 0.47 H new ATOM 338 N LEU A 175 -4.847 5.321 -0.477 1.00 0.26 N ATOM 339 CA LEU A 175 -5.620 5.322 -1.714 1.00 0.28 C ATOM 340 C LEU A 175 -6.352 3.999 -1.900 1.00 0.27 C ATOM 341 O LEU A 175 -7.527 3.975 -2.268 1.00 0.29 O ATOM 342 CB LEU A 175 -4.705 5.591 -2.910 1.00 0.30 C ATOM 343 CG LEU A 175 -4.142 7.012 -2.985 1.00 0.33 C ATOM 344 CD1 LEU A 175 -3.167 7.140 -4.145 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.271 8.023 -3.120 1.00 0.41 C ATOM 0 H LEU A 175 -3.847 5.479 -0.604 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.363 6.117 -1.650 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.873 4.888 -2.878 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.259 5.387 -3.826 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.602 7.219 -2.061 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.777 8.157 -4.182 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.343 6.440 -4.006 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.681 6.914 -5.079 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.854 9.029 -3.172 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.837 7.817 -4.028 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.932 7.948 -2.256 1.00 0.41 H new ATOM 357 N ALA A 176 -5.653 2.899 -1.643 1.00 0.26 N ATOM 358 CA ALA A 176 -6.244 1.574 -1.777 1.00 0.27 C ATOM 359 C ALA A 176 -7.556 1.490 -1.003 1.00 0.26 C ATOM 360 O ALA A 176 -8.590 1.096 -1.549 1.00 0.27 O ATOM 361 CB ALA A 176 -5.269 0.517 -1.288 1.00 0.27 C ATOM 0 H ALA A 176 -4.679 2.899 -1.341 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.458 1.393 -2.830 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.720 -0.470 -1.392 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.355 0.563 -1.881 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -5.031 0.698 -0.240 1.00 0.27 H new ATOM 367 N ILE A 177 -7.508 1.867 0.272 1.00 0.27 N ATOM 368 CA ILE A 177 -8.696 1.845 1.114 1.00 0.28 C ATOM 369 C ILE A 177 -9.819 2.639 0.460 1.00 0.26 C ATOM 370 O ILE A 177 -10.961 2.185 0.398 1.00 0.26 O ATOM 371 CB ILE A 177 -8.408 2.427 2.513 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.306 1.624 3.206 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.674 2.434 3.360 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.944 2.153 4.577 1.00 0.62 C ATOM 0 H ILE A 177 -6.662 2.190 0.741 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.998 0.804 1.229 1.00 0.28 H new ATOM 0 HB ILE A 177 -8.067 3.456 2.396 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.627 0.587 3.299 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.415 1.627 2.577 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.451 2.848 4.343 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.434 3.045 2.873 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -10.043 1.414 3.471 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.157 1.535 5.009 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.592 3.181 4.489 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.822 2.124 5.222 1.00 0.62 H new ATOM 386 N GLY A 178 -9.482 3.828 -0.028 1.00 0.26 N ATOM 387 CA GLY A 178 -10.468 4.663 -0.683 1.00 0.27 C ATOM 388 C GLY A 178 -11.147 3.942 -1.830 1.00 0.26 C ATOM 389 O GLY A 178 -12.363 4.032 -1.996 1.00 0.28 O ATOM 0 H GLY A 178 -8.544 4.227 0.019 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -11.218 4.977 0.043 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.988 5.567 -1.056 1.00 0.27 H new ATOM 393 N LEU A 179 -10.357 3.222 -2.622 1.00 0.25 N ATOM 394 CA LEU A 179 -10.893 2.475 -3.753 1.00 0.27 C ATOM 395 C LEU A 179 -11.993 1.532 -3.289 1.00 0.26 C ATOM 396 O LEU A 179 -13.088 1.511 -3.852 1.00 0.28 O ATOM 397 CB LEU A 179 -9.784 1.678 -4.445 1.00 0.33 C ATOM 398 CG LEU A 179 -8.612 2.512 -4.963 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.652 1.644 -5.761 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.118 3.672 -5.810 1.00 0.43 C ATOM 0 H LEU A 179 -9.347 3.141 -2.501 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.311 3.186 -4.465 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.400 0.936 -3.745 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.219 1.132 -5.282 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.073 2.921 -4.108 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -6.824 2.254 -6.122 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.266 0.848 -5.124 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.177 1.206 -6.610 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.271 4.256 -6.171 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -9.680 3.284 -6.660 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -9.766 4.308 -5.206 1.00 0.43 H new ATOM 412 N GLY A 180 -11.694 0.752 -2.255 1.00 0.25 N ATOM 413 CA GLY A 180 -12.671 -0.178 -1.726 1.00 0.27 C ATOM 414 C GLY A 180 -13.959 0.513 -1.322 1.00 0.26 C ATOM 415 O GLY A 180 -15.051 0.049 -1.647 1.00 0.29 O ATOM 0 H GLY A 180 -10.794 0.748 -1.776 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.889 -0.939 -2.475 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.250 -0.692 -0.862 1.00 0.27 H new ATOM 419 N ILE A 181 -13.828 1.630 -0.611 1.00 0.28 N ATOM 420 CA ILE A 181 -14.988 2.392 -0.163 1.00 0.34 C ATOM 421 C ILE A 181 -15.815 2.876 -1.351 1.00 0.32 C ATOM 422 O ILE A 181 -17.035 2.716 -1.377 1.00 0.36 O ATOM 423 CB ILE A 181 -14.566 3.610 0.682 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.717 3.165 1.875 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.791 4.378 1.155 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.471 2.310 2.869 1.00 0.89 C ATOM 0 H ILE A 181 -12.930 2.027 -0.333 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.591 1.723 0.451 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.964 4.272 0.059 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.855 2.607 1.509 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.332 4.048 2.386 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.476 5.235 1.750 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.359 4.725 0.292 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.418 3.725 1.763 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.807 2.032 3.687 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -15.318 2.872 3.264 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.833 1.409 2.373 1.00 0.89 H new ATOM 438 N TYR A 182 -15.139 3.465 -2.332 1.00 0.31 N ATOM 439 CA TYR A 182 -15.805 3.978 -3.524 1.00 0.35 C ATOM 440 C TYR A 182 -16.667 2.900 -4.175 1.00 0.36 C ATOM 441 O TYR A 182 -17.846 3.118 -4.452 1.00 0.42 O ATOM 442 CB TYR A 182 -14.770 4.494 -4.526 1.00 0.39 C ATOM 443 CG TYR A 182 -15.376 5.192 -5.721 1.00 0.51 C ATOM 444 CD1 TYR A 182 -15.756 4.476 -6.849 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.565 6.569 -5.724 1.00 1.43 C ATOM 446 CE1 TYR A 182 -16.307 5.112 -7.946 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.117 7.211 -6.815 1.00 1.56 C ATOM 448 CZ TYR A 182 -16.485 6.479 -7.924 1.00 0.81 C ATOM 449 OH TYR A 182 -17.031 7.115 -9.014 1.00 0.98 O ATOM 0 H TYR A 182 -14.128 3.599 -2.325 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.453 4.801 -3.222 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.097 5.183 -4.017 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.165 3.657 -4.874 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -15.619 3.405 -6.869 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -15.275 7.147 -4.859 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -16.597 4.541 -8.816 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.260 8.281 -6.800 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.104 8.075 -8.830 1.00 0.98 H new ATOM 459 N ILE A 183 -16.069 1.741 -4.427 1.00 0.35 N ATOM 460 CA ILE A 183 -16.784 0.630 -5.044 1.00 0.43 C ATOM 461 C ILE A 183 -17.930 0.141 -4.158 1.00 0.45 C ATOM 462 O ILE A 183 -19.057 -0.029 -4.621 1.00 0.55 O ATOM 463 CB ILE A 183 -15.838 -0.552 -5.335 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.675 -0.097 -6.219 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.599 -1.691 -5.998 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.674 -1.194 -6.514 1.00 0.83 C ATOM 0 H ILE A 183 -15.091 1.546 -4.214 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.193 1.004 -5.983 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.433 -0.914 -4.390 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.072 0.284 -7.160 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.161 0.731 -5.731 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -15.917 -2.517 -6.197 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.396 -2.030 -5.336 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.030 -1.343 -6.937 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -12.878 -0.800 -7.145 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.249 -1.560 -5.579 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.174 -2.014 -7.030 1.00 0.83 H new ATOM 478 N GLY A 184 -17.629 -0.082 -2.882 1.00 0.40 N ATOM 479 CA GLY A 184 -18.630 -0.565 -1.947 1.00 0.46 C ATOM 480 C GLY A 184 -19.795 0.389 -1.753 1.00 0.52 C ATOM 481 O GLY A 184 -20.954 -0.008 -1.867 1.00 0.64 O ATOM 0 H GLY A 184 -16.704 0.064 -2.477 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -19.011 -1.523 -2.300 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.156 -0.746 -0.982 1.00 0.46 H new ATOM 485 N ARG A 185 -19.495 1.648 -1.457 1.00 0.48 N ATOM 486 CA ARG A 185 -20.537 2.647 -1.231 1.00 0.59 C ATOM 487 C ARG A 185 -21.542 2.666 -2.378 1.00 0.67 C ATOM 488 O ARG A 185 -22.723 2.949 -2.174 1.00 0.83 O ATOM 489 CB ARG A 185 -19.918 4.035 -1.064 1.00 0.59 C ATOM 490 CG ARG A 185 -19.161 4.510 -2.291 1.00 0.51 C ATOM 491 CD ARG A 185 -19.549 5.929 -2.672 1.00 0.85 C ATOM 492 NE ARG A 185 -19.429 6.848 -1.545 1.00 1.32 N ATOM 493 CZ ARG A 185 -19.725 8.141 -1.615 1.00 1.98 C ATOM 494 NH1 ARG A 185 -20.156 8.662 -2.755 1.00 2.27 N ATOM 495 NH2 ARG A 185 -19.592 8.912 -0.545 1.00 2.54 N ATOM 0 H ARG A 185 -18.543 2.002 -1.368 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.064 2.376 -0.316 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.707 4.751 -0.833 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.240 4.022 -0.211 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.089 4.464 -2.098 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -19.364 3.840 -3.126 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -18.914 6.272 -3.489 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.575 5.938 -3.040 1.00 0.85 H new ATOM 0 HE ARG A 185 -19.099 6.477 -0.654 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -20.261 8.070 -3.579 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -20.383 9.655 -2.808 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -19.262 8.513 0.334 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -19.820 9.905 -0.600 1.00 2.54 H new ATOM 509 N ARG A 186 -21.071 2.366 -3.582 1.00 0.63 N ATOM 510 CA ARG A 186 -21.935 2.353 -4.757 1.00 0.74 C ATOM 511 C ARG A 186 -22.662 1.020 -4.893 1.00 0.85 C ATOM 512 O ARG A 186 -23.711 0.937 -5.532 1.00 1.06 O ATOM 513 CB ARG A 186 -21.121 2.640 -6.018 1.00 0.80 C ATOM 514 CG ARG A 186 -20.940 4.124 -6.297 1.00 1.24 C ATOM 515 CD ARG A 186 -20.174 4.359 -7.588 1.00 1.58 C ATOM 516 NE ARG A 186 -20.040 5.780 -7.891 1.00 2.38 N ATOM 517 CZ ARG A 186 -19.602 6.246 -9.056 1.00 2.95 C ATOM 518 NH1 ARG A 186 -19.259 5.405 -10.022 1.00 2.93 N ATOM 519 NH2 ARG A 186 -19.510 7.554 -9.255 1.00 3.95 N ATOM 0 H ARG A 186 -20.097 2.129 -3.771 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.683 3.135 -4.631 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -20.140 2.174 -5.922 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.613 2.175 -6.872 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -21.916 4.605 -6.359 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -20.408 4.589 -5.467 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -19.184 3.910 -7.509 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -20.686 3.859 -8.410 1.00 1.58 H new ATOM 0 HE ARG A 186 -20.297 6.453 -7.169 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -19.331 4.399 -9.872 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -18.923 5.764 -10.916 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -19.775 8.203 -8.514 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -19.174 7.911 -10.149 1.00 3.95 H new ATOM 775 N PRO B 167 6.983 -8.666 -2.429 1.00 0.73 N ATOM 776 CA PRO B 167 5.643 -9.139 -2.085 1.00 0.63 C ATOM 777 C PRO B 167 4.890 -8.166 -1.179 1.00 0.56 C ATOM 778 O PRO B 167 3.660 -8.174 -1.129 1.00 0.69 O ATOM 779 CB PRO B 167 5.935 -10.436 -1.340 1.00 0.87 C ATOM 780 CG PRO B 167 7.222 -10.168 -0.637 1.00 1.07 C ATOM 781 CD PRO B 167 8.008 -9.238 -1.531 1.00 0.96 C ATOM 0 HA PRO B 167 5.006 -9.252 -2.962 1.00 0.63 H new ATOM 0 HB2 PRO B 167 5.139 -10.680 -0.636 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.023 -11.279 -2.026 1.00 0.87 H new ATOM 0 HG2 PRO B 167 7.045 -9.713 0.338 1.00 1.07 H new ATOM 0 HG3 PRO B 167 7.770 -11.094 -0.462 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.514 -8.463 -0.956 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.776 -9.773 -2.089 1.00 0.96 H new ATOM 789 N SER B 168 5.638 -7.330 -0.468 1.00 0.55 N ATOM 790 CA SER B 168 5.046 -6.356 0.445 1.00 0.55 C ATOM 791 C SER B 168 4.180 -5.345 -0.302 1.00 0.44 C ATOM 792 O SER B 168 3.078 -5.016 0.135 1.00 0.41 O ATOM 793 CB SER B 168 6.143 -5.628 1.225 1.00 0.72 C ATOM 794 OG SER B 168 6.906 -6.535 2.000 1.00 1.59 O ATOM 0 H SER B 168 6.657 -7.306 -0.506 1.00 0.55 H new ATOM 0 HA SER B 168 4.407 -6.899 1.142 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.796 -5.099 0.531 1.00 0.72 H new ATOM 0 HB3 SER B 168 5.694 -4.878 1.876 1.00 0.72 H new ATOM 0 HG SER B 168 7.601 -6.045 2.487 1.00 1.59 H new ATOM 800 N LEU B 169 4.687 -4.855 -1.428 1.00 0.46 N ATOM 801 CA LEU B 169 3.963 -3.872 -2.227 1.00 0.45 C ATOM 802 C LEU B 169 2.610 -4.411 -2.684 1.00 0.33 C ATOM 803 O LEU B 169 1.578 -3.765 -2.493 1.00 0.31 O ATOM 804 CB LEU B 169 4.799 -3.458 -3.440 1.00 0.60 C ATOM 805 CG LEU B 169 6.141 -2.803 -3.106 1.00 0.77 C ATOM 806 CD1 LEU B 169 6.891 -2.442 -4.379 1.00 1.09 C ATOM 807 CD2 LEU B 169 5.931 -1.569 -2.240 1.00 0.77 C ATOM 0 H LEU B 169 5.595 -5.122 -1.808 1.00 0.46 H new ATOM 0 HA LEU B 169 3.783 -3.000 -1.599 1.00 0.45 H new ATOM 0 HB2 LEU B 169 4.985 -4.340 -4.053 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.215 -2.766 -4.046 1.00 0.60 H new ATOM 0 HG LEU B 169 6.743 -3.518 -2.545 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.843 -1.977 -4.121 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.074 -3.345 -4.962 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.295 -1.745 -4.967 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.896 -1.116 -2.012 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.310 -0.850 -2.775 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.437 -1.856 -1.312 1.00 0.77 H new ATOM 819 N LEU B 170 2.617 -5.597 -3.285 1.00 0.34 N ATOM 820 CA LEU B 170 1.384 -6.209 -3.771 1.00 0.36 C ATOM 821 C LEU B 170 0.413 -6.474 -2.626 1.00 0.28 C ATOM 822 O LEU B 170 -0.762 -6.117 -2.702 1.00 0.32 O ATOM 823 CB LEU B 170 1.687 -7.515 -4.513 1.00 0.47 C ATOM 824 CG LEU B 170 2.351 -7.348 -5.883 1.00 0.59 C ATOM 825 CD1 LEU B 170 3.709 -6.678 -5.745 1.00 0.60 C ATOM 826 CD2 LEU B 170 2.486 -8.696 -6.575 1.00 0.72 C ATOM 0 H LEU B 170 3.458 -6.151 -3.447 1.00 0.34 H new ATOM 0 HA LEU B 170 0.916 -5.509 -4.463 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.334 -8.129 -3.886 1.00 0.47 H new ATOM 0 HB3 LEU B 170 0.755 -8.065 -4.643 1.00 0.47 H new ATOM 0 HG LEU B 170 1.717 -6.707 -6.496 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.163 -6.569 -6.730 1.00 0.60 H new ATOM 0 HD12 LEU B 170 3.585 -5.694 -5.292 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.354 -7.289 -5.114 1.00 0.60 H new ATOM 0 HD21 LEU B 170 2.960 -8.560 -7.547 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.097 -9.359 -5.963 1.00 0.72 H new ATOM 0 HD23 LEU B 170 1.498 -9.136 -6.711 1.00 0.72 H new ATOM 838 N LEU B 171 0.909 -7.103 -1.566 1.00 0.24 N ATOM 839 CA LEU B 171 0.082 -7.410 -0.406 1.00 0.26 C ATOM 840 C LEU B 171 -0.529 -6.141 0.178 1.00 0.23 C ATOM 841 O LEU B 171 -1.699 -6.121 0.559 1.00 0.29 O ATOM 842 CB LEU B 171 0.906 -8.133 0.662 1.00 0.32 C ATOM 843 CG LEU B 171 1.391 -9.531 0.271 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.317 -10.091 1.339 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.208 -10.462 0.050 1.00 0.50 C ATOM 0 H LEU B 171 1.879 -7.410 -1.487 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.726 -8.064 -0.733 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.773 -7.520 0.907 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.306 -8.214 1.569 1.00 0.32 H new ATOM 0 HG LEU B 171 1.949 -9.454 -0.662 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.652 -11.086 1.045 1.00 0.47 H new ATOM 0 HD12 LEU B 171 3.181 -9.436 1.452 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.783 -10.154 2.287 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.571 -11.452 -0.227 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.375 -10.533 0.968 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.420 -10.069 -0.749 1.00 0.50 H new ATOM 857 N SER B 172 0.272 -5.082 0.245 1.00 0.18 N ATOM 858 CA SER B 172 -0.187 -3.808 0.787 1.00 0.19 C ATOM 859 C SER B 172 -1.419 -3.306 0.042 1.00 0.14 C ATOM 860 O SER B 172 -2.441 -2.994 0.653 1.00 0.18 O ATOM 861 CB SER B 172 0.930 -2.767 0.701 1.00 0.23 C ATOM 862 OG SER B 172 2.024 -3.121 1.529 1.00 0.31 O ATOM 0 H SER B 172 1.242 -5.081 -0.069 1.00 0.18 H new ATOM 0 HA SER B 172 -0.457 -3.964 1.831 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.267 -2.675 -0.332 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.546 -1.792 0.999 1.00 0.23 H new ATOM 0 HG SER B 172 2.391 -3.981 1.236 1.00 0.31 H new ATOM 868 N HIS B 173 -1.318 -3.230 -1.280 1.00 0.12 N ATOM 869 CA HIS B 173 -2.428 -2.767 -2.105 1.00 0.15 C ATOM 870 C HIS B 173 -3.627 -3.700 -1.973 1.00 0.20 C ATOM 871 O HIS B 173 -4.740 -3.260 -1.688 1.00 0.25 O ATOM 872 CB HIS B 173 -1.995 -2.671 -3.570 1.00 0.19 C ATOM 873 CG HIS B 173 -0.876 -1.703 -3.801 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.430 -2.096 -4.009 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.872 -0.349 -3.861 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.188 -1.026 -4.184 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.422 0.045 -4.100 1.00 0.28 N ATOM 0 H HIS B 173 -0.480 -3.483 -1.803 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.722 -1.777 -1.757 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.688 -3.658 -3.915 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.852 -2.374 -4.175 1.00 0.19 H new ATOM 0 HD1 HIS B 173 0.760 -3.061 -4.025 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.727 0.300 -3.743 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.253 -1.029 -4.365 1.00 0.30 H new ATOM 886 N LEU B 174 -3.392 -4.991 -2.177 1.00 0.21 N ATOM 887 CA LEU B 174 -4.453 -5.986 -2.085 1.00 0.28 C ATOM 888 C LEU B 174 -5.176 -5.896 -0.743 1.00 0.28 C ATOM 889 O LEU B 174 -6.403 -5.802 -0.692 1.00 0.31 O ATOM 890 CB LEU B 174 -3.879 -7.392 -2.273 1.00 0.32 C ATOM 891 CG LEU B 174 -3.248 -7.654 -3.641 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.625 -9.041 -3.684 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.286 -7.500 -4.743 1.00 0.44 C ATOM 0 H LEU B 174 -2.475 -5.373 -2.407 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.173 -5.783 -2.878 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.127 -7.567 -1.503 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.676 -8.118 -2.112 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.460 -6.919 -3.804 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.181 -9.210 -4.665 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.853 -9.117 -2.918 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.394 -9.791 -3.500 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.821 -7.690 -5.710 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -5.095 -8.213 -4.583 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.687 -6.487 -4.726 1.00 0.44 H new ATOM 905 N LEU B 175 -4.408 -5.924 0.340 1.00 0.27 N ATOM 906 CA LEU B 175 -4.974 -5.850 1.682 1.00 0.30 C ATOM 907 C LEU B 175 -5.707 -4.530 1.899 1.00 0.27 C ATOM 908 O LEU B 175 -6.860 -4.515 2.334 1.00 0.28 O ATOM 909 CB LEU B 175 -3.871 -6.010 2.730 1.00 0.33 C ATOM 910 CG LEU B 175 -3.210 -7.389 2.768 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.101 -7.421 3.806 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.245 -8.467 3.056 1.00 0.46 C ATOM 0 H LEU B 175 -3.391 -5.997 0.315 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.693 -6.662 1.788 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.102 -5.260 2.544 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.291 -5.798 3.713 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.769 -7.587 1.791 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -1.643 -8.410 3.818 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.347 -6.675 3.556 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.517 -7.201 4.789 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -3.758 -9.442 3.080 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -4.714 -8.272 4.020 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.005 -8.460 2.275 1.00 0.46 H new ATOM 924 N ALA B 176 -5.037 -3.425 1.594 1.00 0.25 N ATOM 925 CA ALA B 176 -5.627 -2.103 1.764 1.00 0.23 C ATOM 926 C ALA B 176 -6.977 -2.005 1.057 1.00 0.20 C ATOM 927 O ALA B 176 -7.980 -1.622 1.665 1.00 0.20 O ATOM 928 CB ALA B 176 -4.676 -1.033 1.252 1.00 0.24 C ATOM 0 H ALA B 176 -4.085 -3.418 1.228 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.797 -1.942 2.829 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.129 -0.050 1.385 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.741 -1.080 1.810 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.476 -1.200 0.194 1.00 0.24 H new ATOM 934 N ILE B 177 -7.002 -2.354 -0.226 1.00 0.20 N ATOM 935 CA ILE B 177 -8.238 -2.305 -0.996 1.00 0.20 C ATOM 936 C ILE B 177 -9.270 -3.258 -0.405 1.00 0.20 C ATOM 937 O ILE B 177 -10.451 -2.926 -0.305 1.00 0.20 O ATOM 938 CB ILE B 177 -8.004 -2.660 -2.480 1.00 0.24 C ATOM 939 CG1 ILE B 177 -6.988 -1.701 -3.104 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.316 -2.612 -3.248 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.693 -1.997 -4.558 1.00 0.31 C ATOM 0 H ILE B 177 -6.186 -2.671 -0.750 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.610 -1.282 -0.944 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.605 -3.673 -2.535 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.363 -0.681 -3.018 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.059 -1.749 -2.536 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.135 -2.864 -4.293 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.016 -3.328 -2.817 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.738 -1.609 -3.185 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -5.965 -1.279 -4.935 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.289 -3.005 -4.649 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.612 -1.921 -5.139 1.00 0.31 H new ATOM 953 N GLY B 178 -8.815 -4.446 -0.017 1.00 0.23 N ATOM 954 CA GLY B 178 -9.710 -5.422 0.572 1.00 0.26 C ATOM 955 C GLY B 178 -10.494 -4.841 1.728 1.00 0.24 C ATOM 956 O GLY B 178 -11.718 -4.964 1.786 1.00 0.26 O ATOM 0 H GLY B 178 -7.844 -4.748 -0.100 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.401 -5.787 -0.188 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.134 -6.280 0.918 1.00 0.26 H new ATOM 960 N LEU B 179 -9.784 -4.203 2.654 1.00 0.25 N ATOM 961 CA LEU B 179 -10.420 -3.587 3.810 1.00 0.28 C ATOM 962 C LEU B 179 -11.464 -2.574 3.359 1.00 0.25 C ATOM 963 O LEU B 179 -12.576 -2.534 3.887 1.00 0.29 O ATOM 964 CB LEU B 179 -9.373 -2.902 4.691 1.00 0.33 C ATOM 965 CG LEU B 179 -8.272 -3.820 5.222 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.291 -3.036 6.081 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.875 -4.971 6.014 1.00 0.43 C ATOM 0 H LEU B 179 -8.770 -4.100 2.625 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.912 -4.367 4.391 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.910 -2.098 4.119 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.880 -2.440 5.538 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.729 -4.234 4.372 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.514 -3.706 6.450 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.835 -2.246 5.484 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.820 -2.593 6.925 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.077 -5.615 6.385 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.443 -4.575 6.856 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.537 -5.549 5.369 1.00 0.43 H new ATOM 979 N GLY B 180 -11.097 -1.755 2.377 1.00 0.22 N ATOM 980 CA GLY B 180 -12.018 -0.758 1.863 1.00 0.23 C ATOM 981 C GLY B 180 -13.318 -1.372 1.384 1.00 0.22 C ATOM 982 O GLY B 180 -14.399 -0.877 1.699 1.00 0.27 O ATOM 0 H GLY B 180 -10.180 -1.764 1.929 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.230 -0.026 2.642 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.547 -0.221 1.040 1.00 0.23 H new ATOM 986 N ILE B 181 -13.212 -2.455 0.619 1.00 0.21 N ATOM 987 CA ILE B 181 -14.389 -3.141 0.101 1.00 0.27 C ATOM 988 C ILE B 181 -15.324 -3.542 1.238 1.00 0.29 C ATOM 989 O ILE B 181 -16.521 -3.257 1.202 1.00 0.35 O ATOM 990 CB ILE B 181 -14.001 -4.399 -0.703 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.084 -4.023 -1.868 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.245 -5.113 -1.215 1.00 0.44 C ATOM 993 CD1 ILE B 181 -13.768 -3.190 -2.930 1.00 0.93 C ATOM 0 H ILE B 181 -12.324 -2.875 0.345 1.00 0.21 H new ATOM 0 HA ILE B 181 -14.901 -2.444 -0.563 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.463 -5.079 -0.042 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -12.226 -3.472 -1.482 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.698 -4.934 -2.325 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -14.950 -5.998 -1.780 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -15.866 -5.412 -0.371 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -15.810 -4.441 -1.862 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -13.059 -2.960 -3.725 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -14.609 -3.747 -3.344 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.130 -2.262 -2.487 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.766 -4.205 2.246 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.546 -4.644 3.397 1.00 0.40 C ATOM 1007 C TYR B 182 -16.326 -3.482 4.000 1.00 0.44 C ATOM 1008 O TYR B 182 -17.538 -3.569 4.198 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.627 -5.258 4.455 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.340 -5.616 5.740 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.477 -4.685 6.762 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -15.873 -6.884 5.930 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -16.127 -5.008 7.938 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -16.525 -7.214 7.102 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.649 -6.273 8.103 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.298 -6.598 9.272 1.00 0.99 O ATOM 0 H TYR B 182 -13.777 -4.450 2.289 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.256 -5.398 3.058 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -14.162 -6.155 4.045 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.823 -4.556 4.678 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.069 -3.693 6.635 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -15.776 -7.624 5.149 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -16.225 -4.273 8.723 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -16.936 -8.204 7.234 1.00 1.30 H new ATOM 0 HH TYR B 182 -17.607 -7.527 9.227 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.620 -2.394 4.290 1.00 0.44 N ATOM 1027 CA ILE B 183 -16.243 -1.210 4.868 1.00 0.55 C ATOM 1028 C ILE B 183 -17.284 -0.623 3.921 1.00 0.56 C ATOM 1029 O ILE B 183 -18.380 -0.253 4.339 1.00 0.67 O ATOM 1030 CB ILE B 183 -15.194 -0.130 5.194 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -14.132 -0.692 6.139 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.860 1.095 5.803 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -13.075 0.318 6.529 1.00 1.10 C ATOM 0 H ILE B 183 -14.616 -2.308 4.134 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.731 -1.523 5.791 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.707 0.173 4.267 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -14.619 -1.063 7.041 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.649 -1.546 5.664 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -15.103 1.847 6.027 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -16.582 1.505 5.097 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -16.372 0.811 6.722 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -12.355 -0.150 7.200 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -12.561 0.671 5.635 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -13.546 1.162 7.033 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.929 -0.540 2.643 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.839 0.006 1.654 1.00 0.55 C ATOM 1047 C GLY B 184 -19.114 -0.804 1.522 1.00 0.61 C ATOM 1048 O GLY B 184 -20.214 -0.253 1.570 1.00 0.72 O ATOM 0 H GLY B 184 -16.027 -0.841 2.275 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -18.091 1.031 1.925 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.337 0.046 0.687 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.968 -2.115 1.356 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.120 -2.998 1.215 1.00 0.70 C ATOM 1054 C ARG B 185 -21.038 -2.891 2.428 1.00 0.81 C ATOM 1055 O ARG B 185 -22.261 -2.912 2.296 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.662 -4.447 1.031 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.913 -5.003 2.222 1.00 0.66 C ATOM 1058 CD ARG B 185 -18.709 -6.506 2.102 1.00 0.80 C ATOM 1059 NE ARG B 185 -17.940 -6.862 0.912 1.00 1.20 N ATOM 1060 CZ ARG B 185 -17.683 -8.114 0.550 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -18.130 -9.124 1.285 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -16.980 -8.359 -0.547 1.00 2.16 N ATOM 0 H ARG B 185 -18.065 -2.588 1.316 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.678 -2.688 0.331 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.533 -5.072 0.836 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.023 -4.508 0.150 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.945 -4.509 2.307 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.465 -4.782 3.136 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.194 -6.874 2.990 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -19.679 -7.002 2.068 1.00 0.80 H new ATOM 0 HE ARG B 185 -17.581 -6.108 0.327 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -18.672 -8.940 2.129 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -17.932 -10.085 1.006 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -16.635 -7.585 -1.115 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -16.784 -9.321 -0.823 1.00 2.16 H new