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= -2.21! C(o=-1.2!,f=-6.6!) USER MOD Set 1.2: B 172 SER OG : rot 72:sc= 1.03 USER MOD Set 2.1: A 172 SER OG : rot -128:sc= 0.498 USER MOD Set 2.2: B 173 HIS : no HE2:sc= -2.23! C(o=-1.7!,f=-9.3!) 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= -0.0591 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 208 N PRO A 167 6.630 8.242 1.381 1.00 0.73 N ATOM 209 CA PRO A 167 5.321 8.861 1.146 1.00 0.67 C ATOM 210 C PRO A 167 4.485 8.070 0.145 1.00 0.55 C ATOM 211 O PRO A 167 3.264 7.977 0.277 1.00 0.58 O ATOM 212 CB PRO A 167 5.662 10.246 0.578 1.00 0.86 C ATOM 213 CG PRO A 167 7.099 10.464 0.908 1.00 0.98 C ATOM 214 CD PRO A 167 7.726 9.101 0.906 1.00 0.91 C ATOM 0 HA PRO A 167 4.725 8.901 2.058 1.00 0.67 H new ATOM 0 HB2 PRO A 167 5.496 10.281 -0.499 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.035 11.019 1.023 1.00 0.86 H new ATOM 0 HG2 PRO A 167 7.575 11.115 0.175 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.209 10.944 1.880 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.065 8.812 -0.089 1.00 0.91 H new ATOM 0 HD3 PRO A 167 8.593 9.053 1.565 1.00 0.91 H new ATOM 222 N SER A 168 5.151 7.504 -0.854 1.00 0.55 N ATOM 223 CA SER A 168 4.473 6.718 -1.877 1.00 0.52 C ATOM 224 C SER A 168 3.736 5.537 -1.256 1.00 0.39 C ATOM 225 O SER A 168 2.594 5.248 -1.611 1.00 0.33 O ATOM 226 CB SER A 168 5.480 6.214 -2.913 1.00 0.66 C ATOM 227 OG SER A 168 4.839 5.450 -3.920 1.00 1.47 O ATOM 0 H SER A 168 6.161 7.575 -0.977 1.00 0.55 H new ATOM 0 HA SER A 168 3.744 7.362 -2.370 1.00 0.52 H new ATOM 0 HB2 SER A 168 5.994 7.061 -3.367 1.00 0.66 H new ATOM 0 HB3 SER A 168 6.240 5.607 -2.421 1.00 0.66 H new ATOM 0 HG SER A 168 5.504 5.141 -4.570 1.00 1.47 H new ATOM 233 N LEU A 169 4.399 4.859 -0.325 1.00 0.40 N ATOM 234 CA LEU A 169 3.810 3.708 0.347 1.00 0.36 C ATOM 235 C LEU A 169 2.526 4.100 1.072 1.00 0.28 C ATOM 236 O LEU A 169 1.491 3.451 0.918 1.00 0.26 O ATOM 237 CB LEU A 169 4.807 3.103 1.338 1.00 0.47 C ATOM 238 CG LEU A 169 6.121 2.623 0.720 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.986 1.942 1.768 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.849 1.683 -0.444 1.00 0.62 C ATOM 0 H LEU A 169 5.345 5.087 -0.019 1.00 0.40 H new ATOM 0 HA LEU A 169 3.565 2.963 -0.410 1.00 0.36 H new ATOM 0 HB2 LEU A 169 5.033 3.846 2.103 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.331 2.262 1.842 1.00 0.47 H new ATOM 0 HG LEU A 169 6.662 3.490 0.342 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.917 1.607 1.310 1.00 0.73 H new ATOM 0 HD12 LEU A 169 7.209 2.646 2.569 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.454 1.083 2.177 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.795 1.351 -0.872 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.288 0.818 -0.090 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.269 2.205 -1.205 1.00 0.62 H new ATOM 252 N LEU A 170 2.600 5.164 1.866 1.00 0.31 N ATOM 253 CA LEU A 170 1.443 5.644 2.610 1.00 0.33 C ATOM 254 C LEU A 170 0.273 5.918 1.671 1.00 0.26 C ATOM 255 O LEU A 170 -0.849 5.475 1.913 1.00 0.27 O ATOM 256 CB LEU A 170 1.799 6.912 3.386 1.00 0.42 C ATOM 257 CG LEU A 170 2.861 6.728 4.471 1.00 0.52 C ATOM 258 CD1 LEU A 170 3.186 8.058 5.130 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.390 5.719 5.508 1.00 0.60 C ATOM 0 H LEU A 170 3.450 5.709 2.010 1.00 0.31 H new ATOM 0 HA LEU A 170 1.146 4.868 3.316 1.00 0.33 H new ATOM 0 HB2 LEU A 170 2.149 7.666 2.680 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.893 7.304 3.848 1.00 0.42 H new ATOM 0 HG LEU A 170 3.769 6.346 4.005 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.943 7.907 5.899 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.564 8.753 4.380 1.00 0.63 H new ATOM 0 HD13 LEU A 170 2.284 8.469 5.584 1.00 0.63 H new ATOM 0 HD21 LEU A 170 3.157 5.599 6.273 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.469 6.075 5.970 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.206 4.759 5.025 1.00 0.60 H new ATOM 271 N LEU A 171 0.545 6.651 0.596 1.00 0.23 N ATOM 272 CA LEU A 171 -0.482 6.981 -0.384 1.00 0.22 C ATOM 273 C LEU A 171 -1.135 5.716 -0.929 1.00 0.18 C ATOM 274 O LEU A 171 -2.352 5.657 -1.101 1.00 0.21 O ATOM 275 CB LEU A 171 0.123 7.790 -1.533 1.00 0.26 C ATOM 276 CG LEU A 171 0.689 9.154 -1.140 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.352 9.821 -2.335 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.409 10.041 -0.573 1.00 0.40 C ATOM 0 H LEU A 171 1.468 7.028 0.382 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.245 7.581 0.112 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.919 7.202 -1.991 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.642 7.938 -2.295 1.00 0.26 H new ATOM 0 HG LEU A 171 1.444 9.005 -0.368 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.749 10.791 -2.036 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.165 9.192 -2.698 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.618 9.958 -3.129 1.00 0.39 H new ATOM 0 HD21 LEU A 171 0.011 11.009 -0.298 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.186 10.183 -1.324 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.839 9.568 0.310 1.00 0.40 H new ATOM 290 N SER A 172 -0.315 4.706 -1.202 1.00 0.16 N ATOM 291 CA SER A 172 -0.812 3.440 -1.727 1.00 0.16 C ATOM 292 C SER A 172 -1.846 2.831 -0.787 1.00 0.15 C ATOM 293 O SER A 172 -2.949 2.480 -1.205 1.00 0.19 O ATOM 294 CB SER A 172 0.345 2.461 -1.932 1.00 0.19 C ATOM 295 OG SER A 172 1.242 2.930 -2.922 1.00 0.23 O ATOM 0 H SER A 172 0.696 4.740 -1.068 1.00 0.16 H new ATOM 0 HA SER A 172 -1.290 3.635 -2.687 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.878 2.321 -0.991 1.00 0.19 H new ATOM 0 HB3 SER A 172 -0.047 1.487 -2.224 1.00 0.19 H new ATOM 0 HG SER A 172 1.386 2.229 -3.591 1.00 0.23 H new ATOM 301 N HIS A 173 -1.481 2.710 0.485 1.00 0.13 N ATOM 302 CA HIS A 173 -2.378 2.145 1.484 1.00 0.17 C ATOM 303 C HIS A 173 -3.645 2.984 1.611 1.00 0.22 C ATOM 304 O HIS A 173 -4.756 2.461 1.553 1.00 0.27 O ATOM 305 CB HIS A 173 -1.674 2.052 2.839 1.00 0.20 C ATOM 306 CG HIS A 173 -0.453 1.184 2.823 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.824 1.684 2.681 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.320 -0.159 2.937 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.690 0.687 2.707 1.00 0.29 C ATOM 310 NE2 HIS A 173 1.022 -0.442 2.861 1.00 0.27 N ATOM 0 H HIS A 173 -0.571 2.995 0.847 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.658 1.143 1.160 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.393 3.054 3.162 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.376 1.664 3.578 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.063 2.670 2.573 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.120 -0.874 3.064 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.762 0.779 2.618 1.00 0.29 H new ATOM 0 HE2 HIS A 173 1.436 -1.373 2.915 1.00 0.27 H new ATOM 319 N LEU A 174 -3.469 4.290 1.779 1.00 0.23 N ATOM 320 CA LEU A 174 -4.598 5.202 1.915 1.00 0.29 C ATOM 321 C LEU A 174 -5.473 5.184 0.665 1.00 0.29 C ATOM 322 O LEU A 174 -6.687 4.999 0.748 1.00 0.34 O ATOM 323 CB LEU A 174 -4.103 6.623 2.184 1.00 0.32 C ATOM 324 CG LEU A 174 -3.401 6.821 3.527 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.892 8.248 3.659 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.344 6.478 4.672 1.00 0.47 C ATOM 0 H LEU A 174 -2.555 4.741 1.824 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.200 4.867 2.760 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.417 6.909 1.387 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.953 7.303 2.132 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.544 6.149 3.573 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.395 8.370 4.622 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.185 8.458 2.857 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.731 8.941 3.594 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.830 6.624 5.622 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.219 7.126 4.629 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.658 5.438 4.585 1.00 0.47 H new ATOM 338 N LEU A 175 -4.850 5.377 -0.494 1.00 0.26 N ATOM 339 CA LEU A 175 -5.577 5.382 -1.758 1.00 0.28 C ATOM 340 C LEU A 175 -6.240 4.033 -2.015 1.00 0.27 C ATOM 341 O LEU A 175 -7.396 3.971 -2.434 1.00 0.29 O ATOM 342 CB LEU A 175 -4.637 5.731 -2.914 1.00 0.30 C ATOM 343 CG LEU A 175 -4.100 7.163 -2.902 1.00 0.33 C ATOM 344 CD1 LEU A 175 -3.228 7.416 -4.122 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.247 8.162 -2.849 1.00 0.41 C ATOM 0 H LEU A 175 -3.846 5.532 -0.583 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.357 6.141 -1.692 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.792 5.042 -2.896 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.164 5.565 -3.854 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.488 7.294 -2.009 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.855 8.440 -4.097 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.387 6.723 -4.118 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.817 7.267 -5.027 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.847 9.176 -2.841 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.885 8.031 -3.723 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.832 7.996 -1.945 1.00 0.41 H new ATOM 357 N ALA A 176 -5.507 2.954 -1.760 1.00 0.26 N ATOM 358 CA ALA A 176 -6.036 1.610 -1.967 1.00 0.27 C ATOM 359 C ALA A 176 -7.379 1.447 -1.263 1.00 0.26 C ATOM 360 O ALA A 176 -8.370 1.039 -1.875 1.00 0.27 O ATOM 361 CB ALA A 176 -5.046 0.569 -1.469 1.00 0.27 C ATOM 0 H ALA A 176 -4.549 2.983 -1.411 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.189 1.461 -3.036 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.455 -0.428 -1.630 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.108 0.669 -2.014 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.865 0.719 -0.405 1.00 0.27 H new ATOM 367 N ILE A 177 -7.409 1.775 0.025 1.00 0.27 N ATOM 368 CA ILE A 177 -8.635 1.675 0.802 1.00 0.28 C ATOM 369 C ILE A 177 -9.727 2.532 0.176 1.00 0.26 C ATOM 370 O ILE A 177 -10.883 2.118 0.087 1.00 0.26 O ATOM 371 CB ILE A 177 -8.418 2.110 2.266 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.346 1.242 2.927 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.723 2.030 3.045 1.00 0.33 C ATOM 374 CD1 ILE A 177 -7.051 1.637 4.358 1.00 0.62 C ATOM 0 H ILE A 177 -6.601 2.111 0.549 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.940 0.629 0.798 1.00 0.28 H new ATOM 0 HB ILE A 177 -8.077 3.145 2.272 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.667 0.201 2.904 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.427 1.305 2.344 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.551 2.340 4.076 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.461 2.688 2.586 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -10.092 1.005 3.032 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.282 0.981 4.766 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.700 2.668 4.386 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.959 1.547 4.955 1.00 0.62 H new ATOM 386 N GLY A 178 -9.349 3.730 -0.258 1.00 0.26 N ATOM 387 CA GLY A 178 -10.304 4.625 -0.879 1.00 0.27 C ATOM 388 C GLY A 178 -11.051 3.955 -2.013 1.00 0.26 C ATOM 389 O GLY A 178 -12.269 4.088 -2.130 1.00 0.28 O ATOM 0 H GLY A 178 -8.399 4.095 -0.190 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -11.016 4.972 -0.130 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.784 5.505 -1.257 1.00 0.27 H new ATOM 393 N LEU A 179 -10.317 3.232 -2.854 1.00 0.25 N ATOM 394 CA LEU A 179 -10.917 2.528 -3.978 1.00 0.27 C ATOM 395 C LEU A 179 -11.920 1.496 -3.481 1.00 0.26 C ATOM 396 O LEU A 179 -13.049 1.424 -3.967 1.00 0.28 O ATOM 397 CB LEU A 179 -9.839 1.842 -4.820 1.00 0.33 C ATOM 398 CG LEU A 179 -8.749 2.768 -5.359 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.775 1.992 -6.231 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.364 3.921 -6.138 1.00 0.43 C ATOM 0 H LEU A 179 -9.306 3.120 -2.777 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.436 3.257 -4.600 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.369 1.065 -4.217 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.320 1.344 -5.662 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.199 3.181 -4.514 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.006 2.667 -6.606 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.309 1.202 -5.642 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.311 1.550 -7.071 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.572 4.569 -6.514 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -9.940 3.528 -6.976 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -10.021 4.493 -5.483 1.00 0.43 H new ATOM 412 N GLY A 180 -11.499 0.697 -2.504 1.00 0.25 N ATOM 413 CA GLY A 180 -12.376 -0.318 -1.951 1.00 0.27 C ATOM 414 C GLY A 180 -13.681 0.263 -1.442 1.00 0.26 C ATOM 415 O GLY A 180 -14.760 -0.200 -1.809 1.00 0.29 O ATOM 0 H GLY A 180 -10.569 0.735 -2.087 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.588 -1.067 -2.714 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -11.866 -0.830 -1.135 1.00 0.27 H new ATOM 419 N ILE A 181 -13.580 1.286 -0.598 1.00 0.28 N ATOM 420 CA ILE A 181 -14.759 1.935 -0.038 1.00 0.34 C ATOM 421 C ILE A 181 -15.714 2.378 -1.142 1.00 0.32 C ATOM 422 O ILE A 181 -16.913 2.105 -1.087 1.00 0.36 O ATOM 423 CB ILE A 181 -14.373 3.157 0.818 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.430 2.736 1.946 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.616 3.830 1.383 1.00 0.49 C ATOM 426 CD1 ILE A 181 -13.023 3.878 2.852 1.00 0.89 C ATOM 0 H ILE A 181 -12.693 1.683 -0.287 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.257 1.202 0.597 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.856 3.876 0.183 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -13.914 1.963 2.544 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -12.535 2.290 1.513 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.322 4.690 1.984 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.255 4.161 0.564 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.162 3.121 2.006 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -12.354 3.506 3.628 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -12.510 4.642 2.267 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -13.911 4.310 3.314 1.00 0.89 H new ATOM 438 N TYR A 182 -15.172 3.065 -2.143 1.00 0.31 N ATOM 439 CA TYR A 182 -15.975 3.545 -3.262 1.00 0.35 C ATOM 440 C TYR A 182 -16.794 2.410 -3.866 1.00 0.36 C ATOM 441 O TYR A 182 -18.005 2.532 -4.047 1.00 0.42 O ATOM 442 CB TYR A 182 -15.073 4.165 -4.332 1.00 0.39 C ATOM 443 CG TYR A 182 -15.825 4.668 -5.543 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.529 5.865 -5.500 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.828 3.947 -6.730 1.00 1.43 C ATOM 446 CE1 TYR A 182 -17.215 6.329 -6.607 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.511 4.405 -7.841 1.00 1.56 C ATOM 448 CZ TYR A 182 -17.202 5.596 -7.774 1.00 0.81 C ATOM 449 OH TYR A 182 -17.884 6.054 -8.879 1.00 0.98 O ATOM 0 H TYR A 182 -14.182 3.301 -2.202 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.661 4.306 -2.889 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.517 4.992 -3.891 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.341 3.423 -4.652 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.541 6.442 -4.587 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -15.288 3.013 -6.786 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -17.758 7.261 -6.558 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.503 3.833 -8.757 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.772 5.420 -9.618 1.00 0.98 H new ATOM 459 N ILE A 183 -16.123 1.311 -4.184 1.00 0.35 N ATOM 460 CA ILE A 183 -16.786 0.150 -4.764 1.00 0.43 C ATOM 461 C ILE A 183 -17.815 -0.436 -3.800 1.00 0.45 C ATOM 462 O ILE A 183 -18.915 -0.814 -4.205 1.00 0.55 O ATOM 463 CB ILE A 183 -15.770 -0.944 -5.140 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.706 -0.380 -6.083 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.479 -2.129 -5.778 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.640 -1.385 -6.463 1.00 0.83 C ATOM 0 H ILE A 183 -15.118 1.199 -4.050 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.293 0.492 -5.666 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.276 -1.289 -4.231 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.191 -0.017 -6.989 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.231 0.479 -5.609 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -15.747 -2.894 -6.038 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.202 -2.543 -5.074 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -16.997 -1.801 -6.679 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -12.920 -0.916 -7.133 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.128 -1.730 -5.564 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.103 -2.234 -6.966 1.00 0.83 H new ATOM 478 N GLY A 184 -17.448 -0.509 -2.523 1.00 0.40 N ATOM 479 CA GLY A 184 -18.342 -1.061 -1.519 1.00 0.46 C ATOM 480 C GLY A 184 -19.630 -0.272 -1.364 1.00 0.52 C ATOM 481 O GLY A 184 -20.720 -0.840 -1.435 1.00 0.64 O ATOM 0 H GLY A 184 -16.546 -0.195 -2.165 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -18.584 -2.090 -1.784 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -17.825 -1.092 -0.560 1.00 0.46 H new ATOM 485 N ARG A 185 -19.511 1.036 -1.154 1.00 0.48 N ATOM 486 CA ARG A 185 -20.684 1.889 -0.985 1.00 0.59 C ATOM 487 C ARG A 185 -21.553 1.880 -2.241 1.00 0.67 C ATOM 488 O ARG A 185 -22.749 2.167 -2.180 1.00 0.83 O ATOM 489 CB ARG A 185 -20.261 3.320 -0.636 1.00 0.59 C ATOM 490 CG ARG A 185 -19.356 3.968 -1.667 1.00 0.51 C ATOM 491 CD ARG A 185 -20.153 4.672 -2.753 1.00 0.85 C ATOM 492 NE ARG A 185 -20.987 5.741 -2.210 1.00 1.32 N ATOM 493 CZ ARG A 185 -21.990 6.304 -2.876 1.00 1.98 C ATOM 494 NH1 ARG A 185 -22.287 5.898 -4.103 1.00 2.27 N ATOM 495 NH2 ARG A 185 -22.698 7.273 -2.315 1.00 2.54 N ATOM 0 H ARG A 185 -18.619 1.527 -1.097 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.276 1.490 -0.161 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -21.155 3.933 -0.517 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.749 3.312 0.326 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.699 4.685 -1.175 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.717 3.209 -2.119 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -19.470 5.086 -3.494 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.782 3.947 -3.269 1.00 0.85 H new ATOM 0 HE ARG A 185 -20.789 6.074 -1.267 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -21.745 5.152 -4.538 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -23.057 6.332 -4.611 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -22.474 7.588 -1.371 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -23.468 7.704 -2.827 1.00 2.54 H new ATOM 509 N ARG A 186 -20.946 1.547 -3.377 1.00 0.63 N ATOM 510 CA ARG A 186 -21.668 1.494 -4.644 1.00 0.74 C ATOM 511 C ARG A 186 -22.688 0.360 -4.643 1.00 0.85 C ATOM 512 O ARG A 186 -23.809 0.518 -5.123 1.00 1.06 O ATOM 513 CB ARG A 186 -20.688 1.309 -5.804 1.00 0.80 C ATOM 514 CG ARG A 186 -19.789 2.510 -6.039 1.00 1.24 C ATOM 515 CD ARG A 186 -20.229 3.305 -7.258 1.00 1.58 C ATOM 516 NE ARG A 186 -21.626 3.719 -7.168 1.00 2.38 N ATOM 517 CZ ARG A 186 -22.343 4.119 -8.212 1.00 2.95 C ATOM 518 NH1 ARG A 186 -21.795 4.158 -9.420 1.00 2.93 N ATOM 519 NH2 ARG A 186 -23.607 4.480 -8.051 1.00 3.95 N ATOM 0 H ARG A 186 -19.956 1.310 -3.446 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.200 2.437 -4.770 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -20.068 0.434 -5.608 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.251 1.103 -6.715 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.802 3.154 -5.159 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -18.760 2.175 -6.173 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -19.596 4.186 -7.363 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -20.087 2.702 -8.155 1.00 1.58 H new ATOM 0 HE ARG A 186 -22.076 3.700 -6.253 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -20.822 3.881 -9.548 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -22.347 4.465 -10.221 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -24.032 4.451 -7.124 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -24.156 4.787 -8.854 1.00 3.95 H new ATOM 775 N PRO B 167 7.194 -8.524 -1.935 1.00 0.73 N ATOM 776 CA PRO B 167 5.822 -9.031 -1.883 1.00 0.63 C ATOM 777 C PRO B 167 4.908 -8.157 -1.030 1.00 0.56 C ATOM 778 O PRO B 167 3.696 -8.118 -1.242 1.00 0.69 O ATOM 779 CB PRO B 167 5.996 -10.404 -1.243 1.00 0.87 C ATOM 780 CG PRO B 167 7.159 -10.240 -0.325 1.00 1.07 C ATOM 781 CD PRO B 167 8.069 -9.220 -0.966 1.00 0.96 C ATOM 0 HA PRO B 167 5.351 -9.051 -2.866 1.00 0.63 H new ATOM 0 HB2 PRO B 167 5.100 -10.706 -0.700 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.187 -11.171 -1.994 1.00 0.87 H new ATOM 0 HG2 PRO B 167 6.832 -9.904 0.659 1.00 1.07 H new ATOM 0 HG3 PRO B 167 7.678 -11.188 -0.183 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.478 -8.529 -0.228 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.916 -9.695 -1.461 1.00 0.96 H new ATOM 789 N SER B 168 5.496 -7.458 -0.066 1.00 0.55 N ATOM 790 CA SER B 168 4.734 -6.586 0.820 1.00 0.55 C ATOM 791 C SER B 168 3.961 -5.541 0.023 1.00 0.44 C ATOM 792 O SER B 168 2.767 -5.336 0.242 1.00 0.41 O ATOM 793 CB SER B 168 5.667 -5.897 1.817 1.00 0.72 C ATOM 794 OG SER B 168 6.631 -5.102 1.149 1.00 1.59 O ATOM 0 H SER B 168 6.498 -7.478 0.122 1.00 0.55 H new ATOM 0 HA SER B 168 4.019 -7.201 1.367 1.00 0.55 H new ATOM 0 HB2 SER B 168 5.084 -5.274 2.495 1.00 0.72 H new ATOM 0 HB3 SER B 168 6.170 -6.647 2.427 1.00 0.72 H new ATOM 0 HG SER B 168 7.214 -4.671 1.809 1.00 1.59 H new ATOM 800 N LEU B 169 4.649 -4.881 -0.902 1.00 0.46 N ATOM 801 CA LEU B 169 4.028 -3.854 -1.730 1.00 0.45 C ATOM 802 C LEU B 169 2.758 -4.380 -2.396 1.00 0.33 C ATOM 803 O LEU B 169 1.706 -3.743 -2.337 1.00 0.31 O ATOM 804 CB LEU B 169 5.010 -3.366 -2.797 1.00 0.60 C ATOM 805 CG LEU B 169 6.314 -2.777 -2.255 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.212 -2.327 -3.398 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.024 -1.617 -1.314 1.00 0.77 C ATOM 0 H LEU B 169 5.638 -5.039 -1.097 1.00 0.46 H new ATOM 0 HA LEU B 169 3.758 -3.019 -1.083 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.252 -4.200 -3.455 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.514 -2.611 -3.408 1.00 0.60 H new ATOM 0 HG LEU B 169 6.836 -3.553 -1.694 1.00 0.77 H new ATOM 0 HD11 LEU B 169 8.135 -1.911 -2.994 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.447 -3.181 -4.034 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.698 -1.567 -3.987 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.963 -1.210 -0.938 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.481 -0.840 -1.851 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.420 -1.969 -0.478 1.00 0.77 H new ATOM 819 N LEU B 170 2.860 -5.548 -3.021 1.00 0.34 N ATOM 820 CA LEU B 170 1.721 -6.154 -3.704 1.00 0.36 C ATOM 821 C LEU B 170 0.591 -6.455 -2.725 1.00 0.28 C ATOM 822 O LEU B 170 -0.569 -6.128 -2.980 1.00 0.32 O ATOM 823 CB LEU B 170 2.143 -7.440 -4.420 1.00 0.47 C ATOM 824 CG LEU B 170 3.012 -7.241 -5.666 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.336 -6.586 -5.304 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.247 -8.570 -6.367 1.00 0.72 C ATOM 0 H LEU B 170 3.720 -6.095 -3.069 1.00 0.34 H new ATOM 0 HA LEU B 170 1.359 -5.439 -4.442 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.687 -8.067 -3.714 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.245 -7.988 -4.707 1.00 0.47 H new ATOM 0 HG LEU B 170 2.482 -6.578 -6.349 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.936 -6.455 -6.205 1.00 0.60 H new ATOM 0 HD12 LEU B 170 4.148 -5.614 -4.849 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.874 -7.219 -4.599 1.00 0.60 H new ATOM 0 HD21 LEU B 170 3.866 -8.411 -7.250 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.753 -9.255 -5.687 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.290 -8.997 -6.667 1.00 0.72 H new ATOM 838 N LEU B 171 0.936 -7.081 -1.605 1.00 0.24 N ATOM 839 CA LEU B 171 -0.051 -7.432 -0.590 1.00 0.26 C ATOM 840 C LEU B 171 -0.723 -6.186 -0.022 1.00 0.23 C ATOM 841 O LEU B 171 -1.943 -6.147 0.139 1.00 0.29 O ATOM 842 CB LEU B 171 0.611 -8.226 0.537 1.00 0.32 C ATOM 843 CG LEU B 171 1.212 -9.567 0.115 1.00 0.38 C ATOM 844 CD1 LEU B 171 1.838 -10.270 1.310 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.149 -10.447 -0.527 1.00 0.50 C ATOM 0 H LEU B 171 1.891 -7.356 -1.377 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.816 -8.048 -1.063 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.398 -7.615 0.978 1.00 0.32 H new ATOM 0 HB3 LEU B 171 -0.128 -8.406 1.318 1.00 0.32 H new ATOM 0 HG LEU B 171 1.994 -9.379 -0.621 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.261 -11.223 0.991 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.627 -9.645 1.728 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.075 -10.447 2.068 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.593 -11.398 -0.822 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.654 -10.628 0.188 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.254 -9.947 -1.407 1.00 0.50 H new ATOM 857 N SER B 172 0.078 -5.171 0.280 1.00 0.18 N ATOM 858 CA SER B 172 -0.443 -3.926 0.830 1.00 0.19 C ATOM 859 C SER B 172 -1.558 -3.366 -0.047 1.00 0.14 C ATOM 860 O SER B 172 -2.649 -3.064 0.438 1.00 0.18 O ATOM 861 CB SER B 172 0.676 -2.894 0.971 1.00 0.23 C ATOM 862 OG SER B 172 1.670 -3.338 1.879 1.00 0.31 O ATOM 0 H SER B 172 1.090 -5.186 0.153 1.00 0.18 H new ATOM 0 HA SER B 172 -0.854 -4.142 1.816 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.127 -2.707 -0.004 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.260 -1.948 1.317 1.00 0.23 H new ATOM 0 HG SER B 172 2.182 -4.068 1.472 1.00 0.31 H new ATOM 868 N HIS B 173 -1.278 -3.232 -1.339 1.00 0.12 N ATOM 869 CA HIS B 173 -2.259 -2.703 -2.280 1.00 0.15 C ATOM 870 C HIS B 173 -3.510 -3.577 -2.323 1.00 0.20 C ATOM 871 O HIS B 173 -4.624 -3.085 -2.156 1.00 0.25 O ATOM 872 CB HIS B 173 -1.652 -2.603 -3.680 1.00 0.19 C ATOM 873 CG HIS B 173 -0.550 -1.595 -3.787 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.784 -1.940 -3.842 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.589 -0.243 -3.858 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.517 -0.846 -3.940 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.709 0.196 -3.954 1.00 0.28 N ATOM 0 H HIS B 173 -0.382 -3.482 -1.758 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.545 -1.708 -1.939 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.268 -3.581 -3.971 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.438 -2.346 -4.390 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.148 -2.892 -3.812 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.475 0.374 -3.842 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.595 -0.811 -3.999 1.00 0.30 H new ATOM 886 N LEU B 174 -3.318 -4.874 -2.537 1.00 0.21 N ATOM 887 CA LEU B 174 -4.438 -5.806 -2.610 1.00 0.28 C ATOM 888 C LEU B 174 -5.233 -5.817 -1.309 1.00 0.28 C ATOM 889 O LEU B 174 -6.452 -5.648 -1.313 1.00 0.31 O ATOM 890 CB LEU B 174 -3.933 -7.217 -2.924 1.00 0.32 C ATOM 891 CG LEU B 174 -3.154 -7.349 -4.234 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.625 -8.766 -4.399 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.030 -6.964 -5.417 1.00 0.44 C ATOM 0 H LEU B 174 -2.401 -5.303 -2.663 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.099 -5.474 -3.411 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.295 -7.549 -2.105 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.787 -7.893 -2.957 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.305 -6.667 -4.200 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.074 -8.842 -5.336 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.962 -9.006 -3.568 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.460 -9.467 -4.412 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.459 -7.064 -6.340 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.899 -7.621 -5.455 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.360 -5.931 -5.305 1.00 0.44 H new ATOM 905 N LEU B 175 -4.535 -6.014 -0.195 1.00 0.27 N ATOM 906 CA LEU B 175 -5.177 -6.051 1.113 1.00 0.30 C ATOM 907 C LEU B 175 -5.845 -4.718 1.438 1.00 0.27 C ATOM 908 O LEU B 175 -6.983 -4.682 1.904 1.00 0.28 O ATOM 909 CB LEU B 175 -4.151 -6.396 2.194 1.00 0.33 C ATOM 910 CG LEU B 175 -3.501 -7.773 2.051 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.489 -8.006 3.162 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.562 -8.863 2.057 1.00 0.46 C ATOM 0 H LEU B 175 -3.524 -6.150 -0.173 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.948 -6.822 1.088 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.368 -5.638 2.185 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.638 -6.340 3.167 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.975 -7.808 1.097 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.038 -8.991 3.042 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.712 -7.243 3.113 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.990 -7.952 4.128 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.084 -9.837 1.954 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.115 -8.827 2.996 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.249 -8.707 1.225 1.00 0.46 H new ATOM 924 N ALA B 176 -5.131 -3.627 1.185 1.00 0.25 N ATOM 925 CA ALA B 176 -5.652 -2.293 1.460 1.00 0.23 C ATOM 926 C ALA B 176 -7.013 -2.078 0.805 1.00 0.20 C ATOM 927 O ALA B 176 -7.976 -1.687 1.469 1.00 0.20 O ATOM 928 CB ALA B 176 -4.667 -1.238 0.981 1.00 0.24 C ATOM 0 H ALA B 176 -4.191 -3.640 0.790 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.782 -2.200 2.538 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.066 -0.246 1.191 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.717 -1.365 1.500 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.511 -1.346 -0.092 1.00 0.24 H new ATOM 934 N ILE B 177 -7.094 -2.339 -0.495 1.00 0.20 N ATOM 935 CA ILE B 177 -8.343 -2.166 -1.227 1.00 0.20 C ATOM 936 C ILE B 177 -9.444 -3.038 -0.633 1.00 0.20 C ATOM 937 O ILE B 177 -10.581 -2.596 -0.473 1.00 0.20 O ATOM 938 CB ILE B 177 -8.175 -2.498 -2.725 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.108 -1.599 -3.352 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.500 -2.337 -3.458 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.838 -1.905 -4.809 1.00 0.31 C ATOM 0 H ILE B 177 -6.313 -2.670 -1.062 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.625 -1.117 -1.136 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.854 -3.536 -2.816 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.421 -0.559 -3.260 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.180 -1.704 -2.789 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.363 -2.575 -4.513 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.239 -3.012 -3.026 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.847 -1.308 -3.360 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -6.071 -1.229 -5.187 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.494 -2.935 -4.907 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.754 -1.772 -5.384 1.00 0.31 H new ATOM 953 N GLY B 178 -9.097 -4.280 -0.304 1.00 0.23 N ATOM 954 CA GLY B 178 -10.069 -5.187 0.275 1.00 0.26 C ATOM 955 C GLY B 178 -10.745 -4.591 1.493 1.00 0.24 C ATOM 956 O GLY B 178 -11.973 -4.578 1.588 1.00 0.26 O ATOM 0 H GLY B 178 -8.163 -4.672 -0.428 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.822 -5.437 -0.472 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.575 -6.118 0.553 1.00 0.26 H new ATOM 960 N LEU B 179 -9.940 -4.097 2.429 1.00 0.25 N ATOM 961 CA LEU B 179 -10.468 -3.488 3.641 1.00 0.28 C ATOM 962 C LEU B 179 -11.417 -2.350 3.289 1.00 0.25 C ATOM 963 O LEU B 179 -12.481 -2.204 3.892 1.00 0.29 O ATOM 964 CB LEU B 179 -9.326 -2.969 4.515 1.00 0.33 C ATOM 965 CG LEU B 179 -8.296 -4.023 4.923 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.266 -3.425 5.869 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.983 -5.219 5.566 1.00 0.43 C ATOM 0 H LEU B 179 -8.922 -4.107 2.370 1.00 0.25 H new ATOM 0 HA LEU B 179 -11.019 -4.245 4.199 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.813 -2.169 3.980 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.750 -2.528 5.417 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.780 -4.365 4.026 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.541 -4.190 6.148 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.752 -2.602 5.373 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.766 -3.054 6.764 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.235 -5.959 5.850 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.526 -4.893 6.453 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.681 -5.663 4.856 1.00 0.43 H new ATOM 979 N GLY B 180 -11.023 -1.547 2.306 1.00 0.22 N ATOM 980 CA GLY B 180 -11.854 -0.437 1.879 1.00 0.23 C ATOM 981 C GLY B 180 -13.252 -0.883 1.508 1.00 0.22 C ATOM 982 O GLY B 180 -14.238 -0.280 1.933 1.00 0.27 O ATOM 0 H GLY B 180 -10.144 -1.645 1.798 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -11.910 0.302 2.678 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.391 0.054 1.023 1.00 0.23 H new ATOM 986 N ILE B 181 -13.341 -1.945 0.711 1.00 0.21 N ATOM 987 CA ILE B 181 -14.631 -2.475 0.291 1.00 0.27 C ATOM 988 C ILE B 181 -15.481 -2.843 1.500 1.00 0.29 C ATOM 989 O ILE B 181 -16.652 -2.471 1.586 1.00 0.35 O ATOM 990 CB ILE B 181 -14.468 -3.717 -0.610 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.625 -3.377 -1.840 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.829 -4.254 -1.029 1.00 0.44 C ATOM 993 CD1 ILE B 181 -13.478 -4.531 -2.808 1.00 0.93 C ATOM 0 H ILE B 181 -12.536 -2.453 0.345 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.128 -1.692 -0.281 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.953 -4.491 -0.041 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -14.078 -2.533 -2.359 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.635 -3.057 -1.515 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.695 -5.130 -1.664 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.399 -4.532 -0.143 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.369 -3.485 -1.581 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.869 -4.219 -3.656 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.997 -5.369 -2.304 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.463 -4.837 -3.162 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.884 -3.577 2.434 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.588 -3.990 3.643 1.00 0.40 C ATOM 1007 C TYR B 182 -16.185 -2.780 4.353 1.00 0.44 C ATOM 1008 O TYR B 182 -17.349 -2.793 4.754 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.636 -4.735 4.582 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.307 -5.277 5.824 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -16.136 -6.389 5.759 1.00 1.25 C ATOM 1012 CD2 TYR B 182 -15.104 -4.681 7.063 1.00 1.42 C ATOM 1013 CE1 TYR B 182 -16.747 -6.891 6.893 1.00 1.30 C ATOM 1014 CE2 TYR B 182 -15.712 -5.178 8.201 1.00 1.52 C ATOM 1015 CZ TYR B 182 -16.532 -6.282 8.111 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.138 -6.779 9.242 1.00 0.99 O ATOM 0 H TYR B 182 -13.917 -3.897 2.377 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.399 -4.661 3.358 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -14.176 -5.561 4.039 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.832 -4.062 4.879 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -16.306 -6.870 4.807 1.00 1.25 H new ATOM 0 HD2 TYR B 182 -14.461 -3.816 7.138 1.00 1.42 H new ATOM 0 HE1 TYR B 182 -17.390 -7.756 6.825 1.00 1.30 H new ATOM 0 HE2 TYR B 182 -15.545 -4.703 9.156 1.00 1.52 H new ATOM 0 HH TYR B 182 -16.881 -6.236 10.016 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.377 -1.736 4.508 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.822 -0.511 5.162 1.00 0.55 C ATOM 1028 C ILE B 183 -16.964 0.139 4.384 1.00 0.56 C ATOM 1029 O ILE B 183 -18.011 0.457 4.949 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.666 0.502 5.303 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.512 -0.116 6.096 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.151 1.777 5.976 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.294 0.777 6.185 1.00 1.10 C ATOM 0 H ILE B 183 -14.409 -1.714 4.189 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.173 -0.788 6.156 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.306 0.756 4.306 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -13.857 -0.348 7.104 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.227 -1.060 5.632 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.322 2.479 6.066 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -15.943 2.226 5.377 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.536 1.541 6.968 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.516 0.275 6.761 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -11.924 0.988 5.182 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.563 1.712 6.677 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.754 0.333 3.086 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.771 0.947 2.252 1.00 0.55 C ATOM 1047 C GLY B 184 -19.050 0.133 2.189 1.00 0.61 C ATOM 1048 O GLY B 184 -20.136 0.655 2.440 1.00 0.72 O ATOM 0 H GLY B 184 -15.897 0.076 2.596 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -17.997 1.942 2.636 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.378 1.076 1.244 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.923 -1.147 1.853 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.084 -2.028 1.758 1.00 0.70 C ATOM 1054 C ARG B 185 -20.828 -2.101 3.089 1.00 0.81 C ATOM 1055 O ARG B 185 -22.002 -2.469 3.134 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.659 -3.431 1.322 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.799 -4.157 2.344 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.385 -5.513 2.701 1.00 0.80 C ATOM 1059 NE ARG B 185 -19.662 -6.320 1.515 1.00 1.20 N ATOM 1060 CZ ARG B 185 -20.417 -7.414 1.530 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -20.958 -7.833 2.666 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -20.631 -8.090 0.410 1.00 2.16 N ATOM 0 H ARG B 185 -18.032 -1.597 1.643 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.757 -1.612 1.008 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.551 -4.025 1.124 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.109 -3.359 0.384 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.792 -4.287 1.947 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -18.710 -3.549 3.244 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.691 -6.048 3.349 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -20.306 -5.372 3.267 1.00 0.80 H new ATOM 0 HE ARG B 185 -19.254 -6.028 0.627 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -20.795 -7.316 3.530 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -21.537 -8.673 2.676 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -20.216 -7.771 -0.465 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -21.211 -8.929 0.424 1.00 2.16 H new