USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 554 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 64 HIS : no HE2:sc= 0 K(o=-1.1,f=-1.6) USER MOD Set 1.2: A 112 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-3.4) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00917 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.369 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.555 K(o=0.56,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -133:sc= -3.1! (180deg=-5.87!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N SER A 28 25.064 7.502 -45.723 1.00 0.00 N ATOM 172 CA SER A 28 25.940 8.689 -45.667 1.00 0.00 C ATOM 173 C SER A 28 25.206 9.956 -45.202 1.00 0.00 C ATOM 174 O SER A 28 24.045 10.184 -45.556 1.00 0.00 O ATOM 175 CB SER A 28 26.567 8.927 -47.047 1.00 0.00 C ATOM 176 OG SER A 28 27.564 9.939 -46.974 1.00 0.00 O ATOM 0 HA SER A 28 26.713 8.484 -44.926 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.007 8.001 -47.418 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.795 9.220 -47.758 1.00 0.00 H new ATOM 0 HG SER A 28 27.955 10.077 -47.862 1.00 0.00 H new ATOM 182 N VAL A 29 25.892 10.793 -44.415 1.00 0.00 N ATOM 183 CA VAL A 29 25.435 12.118 -43.950 1.00 0.00 C ATOM 184 C VAL A 29 26.642 13.024 -43.653 1.00 0.00 C ATOM 185 O VAL A 29 27.672 12.551 -43.163 1.00 0.00 O ATOM 186 CB VAL A 29 24.491 11.979 -42.732 1.00 0.00 C ATOM 187 CG1 VAL A 29 25.147 11.352 -41.494 1.00 0.00 C ATOM 188 CG2 VAL A 29 23.866 13.320 -42.328 1.00 0.00 C ATOM 0 H VAL A 29 26.822 10.560 -44.067 1.00 0.00 H new ATOM 0 HA VAL A 29 24.858 12.593 -44.743 1.00 0.00 H new ATOM 0 HB VAL A 29 23.716 11.296 -43.080 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.417 11.291 -40.687 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.502 10.351 -41.738 1.00 0.00 H new ATOM 0 HG13 VAL A 29 25.988 11.968 -41.177 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.211 13.172 -41.469 1.00 0.00 H new ATOM 0 HG22 VAL A 29 24.655 14.025 -42.066 1.00 0.00 H new ATOM 0 HG23 VAL A 29 23.287 13.717 -43.162 1.00 0.00 H new ATOM 198 N SER A 30 26.536 14.322 -43.957 1.00 0.00 N ATOM 199 CA SER A 30 27.610 15.314 -43.757 1.00 0.00 C ATOM 200 C SER A 30 27.090 16.756 -43.611 1.00 0.00 C ATOM 201 O SER A 30 25.974 17.083 -44.029 1.00 0.00 O ATOM 202 CB SER A 30 28.621 15.240 -44.916 1.00 0.00 C ATOM 203 OG SER A 30 28.006 15.521 -46.170 1.00 0.00 O ATOM 0 H SER A 30 25.688 14.725 -44.356 1.00 0.00 H new ATOM 0 HA SER A 30 28.095 15.057 -42.815 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.429 15.950 -44.740 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.069 14.247 -44.945 1.00 0.00 H new ATOM 0 HG SER A 30 28.677 15.467 -46.883 1.00 0.00 H new ATOM 209 N PHE A 31 27.920 17.630 -43.027 1.00 0.00 N ATOM 210 CA PHE A 31 27.723 19.087 -42.970 1.00 0.00 C ATOM 211 C PHE A 31 29.073 19.835 -42.983 1.00 0.00 C ATOM 212 O PHE A 31 30.086 19.316 -42.503 1.00 0.00 O ATOM 213 CB PHE A 31 26.902 19.459 -41.721 1.00 0.00 C ATOM 214 CG PHE A 31 26.653 20.952 -41.576 1.00 0.00 C ATOM 215 CD1 PHE A 31 25.680 21.586 -42.372 1.00 0.00 C ATOM 216 CD2 PHE A 31 27.439 21.722 -40.693 1.00 0.00 C ATOM 217 CE1 PHE A 31 25.493 22.978 -42.286 1.00 0.00 C ATOM 218 CE2 PHE A 31 27.254 23.114 -40.611 1.00 0.00 C ATOM 219 CZ PHE A 31 26.281 23.742 -41.408 1.00 0.00 C ATOM 0 H PHE A 31 28.779 17.333 -42.564 1.00 0.00 H new ATOM 0 HA PHE A 31 27.170 19.394 -43.858 1.00 0.00 H new ATOM 0 HB2 PHE A 31 25.943 18.942 -41.760 1.00 0.00 H new ATOM 0 HB3 PHE A 31 27.423 19.099 -40.834 1.00 0.00 H new ATOM 0 HD1 PHE A 31 25.075 21.002 -43.050 1.00 0.00 H new ATOM 0 HD2 PHE A 31 28.185 21.241 -40.078 1.00 0.00 H new ATOM 0 HE1 PHE A 31 24.743 23.460 -42.895 1.00 0.00 H new ATOM 0 HE2 PHE A 31 27.859 23.700 -39.936 1.00 0.00 H new ATOM 0 HZ PHE A 31 26.139 24.811 -41.346 1.00 0.00 H new ATOM 229 N GLY A 32 29.085 21.064 -43.511 1.00 0.00 N ATOM 230 CA GLY A 32 30.276 21.926 -43.553 1.00 0.00 C ATOM 231 C GLY A 32 30.028 23.291 -44.204 1.00 0.00 C ATOM 232 O GLY A 32 30.790 23.694 -45.085 1.00 0.00 O ATOM 0 H GLY A 32 28.259 21.495 -43.927 1.00 0.00 H new ATOM 0 HA2 GLY A 32 30.638 22.079 -42.536 1.00 0.00 H new ATOM 0 HA3 GLY A 32 31.067 21.411 -44.099 1.00 0.00 H new ATOM 236 N ALA A 33 28.944 23.977 -43.814 1.00 0.00 N ATOM 237 CA ALA A 33 28.466 25.211 -44.455 1.00 0.00 C ATOM 238 C ALA A 33 28.207 26.378 -43.462 1.00 0.00 C ATOM 239 O ALA A 33 27.067 26.849 -43.344 1.00 0.00 O ATOM 240 CB ALA A 33 27.247 24.842 -45.317 1.00 0.00 C ATOM 0 H ALA A 33 28.363 23.684 -43.028 1.00 0.00 H new ATOM 0 HA ALA A 33 29.251 25.617 -45.092 1.00 0.00 H new ATOM 0 HB1 ALA A 33 26.865 25.737 -45.809 1.00 0.00 H new ATOM 0 HB2 ALA A 33 27.542 24.111 -46.070 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.469 24.416 -44.683 1.00 0.00 H new ATOM 246 N PRO A 34 29.238 26.870 -42.740 1.00 0.00 N ATOM 247 CA PRO A 34 29.152 28.100 -41.944 1.00 0.00 C ATOM 248 C PRO A 34 29.054 29.362 -42.830 1.00 0.00 C ATOM 249 O PRO A 34 29.296 29.316 -44.040 1.00 0.00 O ATOM 250 CB PRO A 34 30.428 28.104 -41.093 1.00 0.00 C ATOM 251 CG PRO A 34 31.446 27.425 -42.008 1.00 0.00 C ATOM 252 CD PRO A 34 30.607 26.364 -42.719 1.00 0.00 C ATOM 0 HA PRO A 34 28.250 28.120 -41.332 1.00 0.00 H new ATOM 0 HB2 PRO A 34 30.734 29.116 -40.828 1.00 0.00 H new ATOM 0 HB3 PRO A 34 30.294 27.556 -40.160 1.00 0.00 H new ATOM 0 HG2 PRO A 34 31.890 28.129 -42.712 1.00 0.00 H new ATOM 0 HG3 PRO A 34 32.265 26.981 -41.443 1.00 0.00 H new ATOM 0 HD2 PRO A 34 30.974 26.192 -43.731 1.00 0.00 H new ATOM 0 HD3 PRO A 34 30.661 25.410 -42.194 1.00 0.00 H new ATOM 260 N SER A 35 28.739 30.509 -42.214 1.00 0.00 N ATOM 261 CA SER A 35 28.681 31.824 -42.878 1.00 0.00 C ATOM 262 C SER A 35 29.381 32.911 -42.033 1.00 0.00 C ATOM 263 O SER A 35 28.727 33.616 -41.256 1.00 0.00 O ATOM 264 CB SER A 35 27.222 32.176 -43.199 1.00 0.00 C ATOM 265 OG SER A 35 27.170 33.321 -44.040 1.00 0.00 O ATOM 0 H SER A 35 28.512 30.553 -41.220 1.00 0.00 H new ATOM 0 HA SER A 35 29.228 31.775 -43.819 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.736 31.333 -43.689 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.674 32.368 -42.276 1.00 0.00 H new ATOM 0 HG SER A 35 26.235 33.537 -44.241 1.00 0.00 H new ATOM 271 N PRO A 36 30.720 33.047 -42.137 1.00 0.00 N ATOM 272 CA PRO A 36 31.516 34.026 -41.387 1.00 0.00 C ATOM 273 C PRO A 36 31.443 35.429 -42.033 1.00 0.00 C ATOM 274 O PRO A 36 32.435 35.969 -42.531 1.00 0.00 O ATOM 275 CB PRO A 36 32.923 33.416 -41.336 1.00 0.00 C ATOM 276 CG PRO A 36 33.027 32.694 -42.678 1.00 0.00 C ATOM 277 CD PRO A 36 31.607 32.172 -42.900 1.00 0.00 C ATOM 0 HA PRO A 36 31.147 34.203 -40.377 1.00 0.00 H new ATOM 0 HB2 PRO A 36 33.692 34.181 -41.227 1.00 0.00 H new ATOM 0 HB3 PRO A 36 33.036 32.729 -40.497 1.00 0.00 H new ATOM 0 HG2 PRO A 36 33.338 33.368 -43.476 1.00 0.00 H new ATOM 0 HG3 PRO A 36 33.754 31.883 -42.644 1.00 0.00 H new ATOM 0 HD2 PRO A 36 31.349 32.186 -43.959 1.00 0.00 H new ATOM 0 HD3 PRO A 36 31.516 31.139 -42.564 1.00 0.00 H new ATOM 285 N LEU A 37 30.242 36.018 -42.052 1.00 0.00 N ATOM 286 CA LEU A 37 29.919 37.253 -42.785 1.00 0.00 C ATOM 287 C LEU A 37 30.436 38.567 -42.151 1.00 0.00 C ATOM 288 O LEU A 37 30.297 39.632 -42.757 1.00 0.00 O ATOM 289 CB LEU A 37 28.403 37.297 -43.076 1.00 0.00 C ATOM 290 CG LEU A 37 27.487 37.814 -41.943 1.00 0.00 C ATOM 291 CD1 LEU A 37 26.039 37.837 -42.435 1.00 0.00 C ATOM 292 CD2 LEU A 37 27.532 36.966 -40.671 1.00 0.00 C ATOM 0 H LEU A 37 29.443 35.639 -41.544 1.00 0.00 H new ATOM 0 HA LEU A 37 30.476 37.203 -43.721 1.00 0.00 H new ATOM 0 HB2 LEU A 37 28.244 37.924 -43.953 1.00 0.00 H new ATOM 0 HB3 LEU A 37 28.079 36.290 -43.341 1.00 0.00 H new ATOM 0 HG LEU A 37 27.856 38.808 -41.690 1.00 0.00 H new ATOM 0 HD11 LEU A 37 25.390 38.201 -41.639 1.00 0.00 H new ATOM 0 HD12 LEU A 37 25.959 38.497 -43.299 1.00 0.00 H new ATOM 0 HD13 LEU A 37 25.735 36.829 -42.719 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.863 37.394 -39.925 1.00 0.00 H new ATOM 0 HD22 LEU A 37 27.216 35.948 -40.901 1.00 0.00 H new ATOM 0 HD23 LEU A 37 28.549 36.950 -40.280 1.00 0.00 H new ATOM 304 N SER A 38 31.007 38.512 -40.943 1.00 0.00 N ATOM 305 CA SER A 38 31.463 39.686 -40.178 1.00 0.00 C ATOM 306 C SER A 38 32.608 40.449 -40.867 1.00 0.00 C ATOM 307 O SER A 38 33.539 39.842 -41.405 1.00 0.00 O ATOM 308 CB SER A 38 31.902 39.265 -38.769 1.00 0.00 C ATOM 309 OG SER A 38 30.858 38.556 -38.111 1.00 0.00 O ATOM 0 H SER A 38 31.170 37.631 -40.455 1.00 0.00 H new ATOM 0 HA SER A 38 30.612 40.365 -40.120 1.00 0.00 H new ATOM 0 HB2 SER A 38 32.792 38.638 -38.831 1.00 0.00 H new ATOM 0 HB3 SER A 38 32.173 40.146 -38.188 1.00 0.00 H new ATOM 0 HG SER A 38 31.155 38.294 -37.215 1.00 0.00 H new ATOM 315 N SER A 39 32.554 41.786 -40.816 1.00 0.00 N ATOM 316 CA SER A 39 33.452 42.704 -41.550 1.00 0.00 C ATOM 317 C SER A 39 34.024 43.850 -40.694 1.00 0.00 C ATOM 318 O SER A 39 34.569 44.819 -41.224 1.00 0.00 O ATOM 319 CB SER A 39 32.717 43.245 -42.785 1.00 0.00 C ATOM 320 OG SER A 39 31.527 43.931 -42.410 1.00 0.00 O ATOM 0 H SER A 39 31.866 42.279 -40.248 1.00 0.00 H new ATOM 0 HA SER A 39 34.324 42.124 -41.852 1.00 0.00 H new ATOM 0 HB2 SER A 39 33.372 43.920 -43.336 1.00 0.00 H new ATOM 0 HB3 SER A 39 32.471 42.422 -43.456 1.00 0.00 H new ATOM 0 HG SER A 39 31.077 44.268 -43.213 1.00 0.00 H new ATOM 326 N GLU A 40 33.933 43.756 -39.361 1.00 0.00 N ATOM 327 CA GLU A 40 34.280 44.854 -38.437 1.00 0.00 C ATOM 328 C GLU A 40 35.770 45.252 -38.479 1.00 0.00 C ATOM 329 O GLU A 40 36.105 46.413 -38.231 1.00 0.00 O ATOM 330 CB GLU A 40 33.887 44.474 -37.000 1.00 0.00 C ATOM 331 CG GLU A 40 32.372 44.308 -36.821 1.00 0.00 C ATOM 332 CD GLU A 40 32.023 44.020 -35.348 1.00 0.00 C ATOM 333 OE1 GLU A 40 32.018 42.832 -34.939 1.00 0.00 O ATOM 334 OE2 GLU A 40 31.743 44.978 -34.585 1.00 0.00 O ATOM 0 H GLU A 40 33.615 42.911 -38.886 1.00 0.00 H new ATOM 0 HA GLU A 40 33.716 45.724 -38.771 1.00 0.00 H new ATOM 0 HB2 GLU A 40 34.384 43.544 -36.726 1.00 0.00 H new ATOM 0 HB3 GLU A 40 34.247 45.241 -36.315 1.00 0.00 H new ATOM 0 HG2 GLU A 40 31.861 45.213 -37.150 1.00 0.00 H new ATOM 0 HG3 GLU A 40 32.014 43.493 -37.450 1.00 0.00 H new ATOM 341 N SER A 41 36.660 44.314 -38.825 1.00 0.00 N ATOM 342 CA SER A 41 38.085 44.570 -39.082 1.00 0.00 C ATOM 343 C SER A 41 38.328 45.143 -40.486 1.00 0.00 C ATOM 344 O SER A 41 39.029 46.141 -40.638 1.00 0.00 O ATOM 345 CB SER A 41 38.887 43.277 -38.881 1.00 0.00 C ATOM 346 OG SER A 41 38.326 42.210 -39.641 1.00 0.00 O ATOM 0 H SER A 41 36.405 43.333 -38.937 1.00 0.00 H new ATOM 0 HA SER A 41 38.422 45.323 -38.370 1.00 0.00 H new ATOM 0 HB2 SER A 41 39.923 43.436 -39.179 1.00 0.00 H new ATOM 0 HB3 SER A 41 38.897 43.011 -37.824 1.00 0.00 H new ATOM 0 HG SER A 41 38.853 41.396 -39.500 1.00 0.00 H new ATOM 352 N GLU A 42 37.707 44.563 -41.517 1.00 0.00 N ATOM 353 CA GLU A 42 37.827 44.994 -42.921 1.00 0.00 C ATOM 354 C GLU A 42 37.355 46.446 -43.145 1.00 0.00 C ATOM 355 O GLU A 42 37.847 47.132 -44.044 1.00 0.00 O ATOM 356 CB GLU A 42 37.016 44.058 -43.833 1.00 0.00 C ATOM 357 CG GLU A 42 37.420 42.581 -43.715 1.00 0.00 C ATOM 358 CD GLU A 42 36.666 41.689 -44.727 1.00 0.00 C ATOM 359 OE1 GLU A 42 35.420 41.800 -44.851 1.00 0.00 O ATOM 360 OE2 GLU A 42 37.312 40.838 -45.387 1.00 0.00 O ATOM 0 H GLU A 42 37.090 43.759 -41.400 1.00 0.00 H new ATOM 0 HA GLU A 42 38.887 44.948 -43.170 1.00 0.00 H new ATOM 0 HB2 GLU A 42 35.958 44.157 -43.592 1.00 0.00 H new ATOM 0 HB3 GLU A 42 37.138 44.378 -44.868 1.00 0.00 H new ATOM 0 HG2 GLU A 42 38.494 42.485 -43.878 1.00 0.00 H new ATOM 0 HG3 GLU A 42 37.218 42.230 -42.703 1.00 0.00 H new ATOM 367 N ASP A 43 36.437 46.939 -42.306 1.00 0.00 N ATOM 368 CA ASP A 43 35.947 48.323 -42.312 1.00 0.00 C ATOM 369 C ASP A 43 37.005 49.373 -41.899 1.00 0.00 C ATOM 370 O ASP A 43 36.826 50.570 -42.144 1.00 0.00 O ATOM 371 CB ASP A 43 34.702 48.398 -41.416 1.00 0.00 C ATOM 372 CG ASP A 43 33.976 49.752 -41.521 1.00 0.00 C ATOM 373 OD1 ASP A 43 33.459 50.081 -42.617 1.00 0.00 O ATOM 374 OD2 ASP A 43 33.876 50.474 -40.498 1.00 0.00 O ATOM 0 H ASP A 43 36.001 46.369 -41.582 1.00 0.00 H new ATOM 0 HA ASP A 43 35.698 48.582 -43.341 1.00 0.00 H new ATOM 0 HB2 ASP A 43 34.013 47.599 -41.690 1.00 0.00 H new ATOM 0 HB3 ASP A 43 34.994 48.226 -40.380 1.00 0.00 H new ATOM 379 N GLU A 44 38.123 48.936 -41.313 1.00 0.00 N ATOM 380 CA GLU A 44 39.237 49.794 -40.864 1.00 0.00 C ATOM 381 C GLU A 44 40.655 49.287 -41.215 1.00 0.00 C ATOM 382 O GLU A 44 41.638 49.992 -40.980 1.00 0.00 O ATOM 383 CB GLU A 44 39.091 50.120 -39.365 1.00 0.00 C ATOM 384 CG GLU A 44 39.161 48.895 -38.445 1.00 0.00 C ATOM 385 CD GLU A 44 39.135 49.326 -36.965 1.00 0.00 C ATOM 386 OE1 GLU A 44 38.049 49.676 -36.440 1.00 0.00 O ATOM 387 OE2 GLU A 44 40.206 49.324 -36.308 1.00 0.00 O ATOM 0 H GLU A 44 38.289 47.946 -41.130 1.00 0.00 H new ATOM 0 HA GLU A 44 39.148 50.712 -41.445 1.00 0.00 H new ATOM 0 HB2 GLU A 44 39.876 50.820 -39.079 1.00 0.00 H new ATOM 0 HB3 GLU A 44 38.139 50.626 -39.206 1.00 0.00 H new ATOM 0 HG2 GLU A 44 38.322 48.231 -38.651 1.00 0.00 H new ATOM 0 HG3 GLU A 44 40.071 48.331 -38.649 1.00 0.00 H new ATOM 631 N ALA A 61 67.042 33.860 -15.779 1.00 0.00 N ATOM 632 CA ALA A 61 68.390 33.338 -15.559 1.00 0.00 C ATOM 633 C ALA A 61 68.484 32.572 -14.225 1.00 0.00 C ATOM 634 O ALA A 61 68.186 33.127 -13.164 1.00 0.00 O ATOM 635 CB ALA A 61 69.406 34.486 -15.625 1.00 0.00 C ATOM 0 HA ALA A 61 68.624 32.624 -16.348 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.410 34.094 -15.461 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.357 34.959 -16.606 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.174 35.222 -14.855 1.00 0.00 H new ATOM 641 N ALA A 62 68.925 31.313 -14.269 1.00 0.00 N ATOM 642 CA ALA A 62 69.257 30.514 -13.090 1.00 0.00 C ATOM 643 C ALA A 62 70.697 30.792 -12.615 1.00 0.00 C ATOM 644 O ALA A 62 71.600 31.014 -13.428 1.00 0.00 O ATOM 645 CB ALA A 62 69.014 29.030 -13.392 1.00 0.00 C ATOM 0 H ALA A 62 69.064 30.810 -15.146 1.00 0.00 H new ATOM 0 HA ALA A 62 68.605 30.800 -12.264 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.262 28.435 -12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 62 67.966 28.878 -13.650 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.642 28.721 -14.228 1.00 0.00 H new ATOM 651 N LEU A 63 70.907 30.787 -11.293 1.00 0.00 N ATOM 652 CA LEU A 63 72.149 31.226 -10.641 1.00 0.00 C ATOM 653 C LEU A 63 72.722 30.167 -9.687 1.00 0.00 C ATOM 654 O LEU A 63 71.990 29.332 -9.148 1.00 0.00 O ATOM 655 CB LEU A 63 71.905 32.539 -9.867 1.00 0.00 C ATOM 656 CG LEU A 63 71.269 33.695 -10.659 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.093 34.906 -9.742 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.121 34.134 -11.847 1.00 0.00 C ATOM 0 H LEU A 63 70.200 30.470 -10.629 1.00 0.00 H new ATOM 0 HA LEU A 63 72.882 31.386 -11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.265 32.318 -9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.860 32.883 -9.469 1.00 0.00 H new ATOM 0 HG LEU A 63 70.313 33.329 -11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.643 35.725 -10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.445 34.639 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.065 35.219 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.624 34.952 -12.369 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.095 34.469 -11.492 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.253 33.295 -12.530 1.00 0.00 H new ATOM 670 N HIS A 64 74.027 30.254 -9.418 1.00 0.00 N ATOM 671 CA HIS A 64 74.691 29.527 -8.330 1.00 0.00 C ATOM 672 C HIS A 64 74.447 30.237 -6.990 1.00 0.00 C ATOM 673 O HIS A 64 74.542 31.463 -6.913 1.00 0.00 O ATOM 674 CB HIS A 64 76.189 29.433 -8.632 1.00 0.00 C ATOM 675 CG HIS A 64 76.541 28.515 -9.775 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.592 27.120 -9.702 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.936 28.913 -11.020 1.00 0.00 C ATOM 678 CE1 HIS A 64 77.029 26.709 -10.904 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.246 27.762 -11.711 1.00 0.00 N ATOM 0 H HIS A 64 74.663 30.841 -9.958 1.00 0.00 H new ATOM 0 HA HIS A 64 74.279 28.521 -8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.565 30.431 -8.856 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.707 29.091 -7.736 1.00 0.00 H new ATOM 0 HD1 HIS A 64 76.348 26.536 -8.902 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.994 29.926 -11.389 1.00 0.00 H new ATOM 0 HE1 HIS A 64 77.184 25.677 -11.183 1.00 0.00 H new ATOM 687 N ALA A 65 74.159 29.483 -5.925 1.00 0.00 N ATOM 688 CA ALA A 65 73.784 30.042 -4.617 1.00 0.00 C ATOM 689 C ALA A 65 74.964 30.220 -3.634 1.00 0.00 C ATOM 690 O ALA A 65 74.835 30.939 -2.642 1.00 0.00 O ATOM 691 CB ALA A 65 72.688 29.147 -4.027 1.00 0.00 C ATOM 0 H ALA A 65 74.179 28.463 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 65 73.421 31.058 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.386 29.535 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.828 29.136 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.070 28.133 -3.911 1.00 0.00 H new ATOM 697 N GLU A 66 76.104 29.565 -3.885 1.00 0.00 N ATOM 698 CA GLU A 66 77.257 29.503 -2.969 1.00 0.00 C ATOM 699 C GLU A 66 78.606 29.349 -3.706 1.00 0.00 C ATOM 700 O GLU A 66 78.649 29.108 -4.916 1.00 0.00 O ATOM 701 CB GLU A 66 77.041 28.366 -1.949 1.00 0.00 C ATOM 702 CG GLU A 66 76.985 26.960 -2.567 1.00 0.00 C ATOM 703 CD GLU A 66 76.763 25.897 -1.474 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.759 25.397 -0.893 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.592 25.543 -1.189 1.00 0.00 O ATOM 0 H GLU A 66 76.257 29.049 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 66 77.316 30.457 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.846 28.395 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.112 28.550 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.179 26.910 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.913 26.754 -3.100 1.00 0.00 H new ATOM 712 N GLY A 67 79.715 29.485 -2.969 1.00 0.00 N ATOM 713 CA GLY A 67 81.080 29.361 -3.501 1.00 0.00 C ATOM 714 C GLY A 67 81.531 30.559 -4.358 1.00 0.00 C ATOM 715 O GLY A 67 80.899 31.621 -4.323 1.00 0.00 O ATOM 0 H GLY A 67 79.690 29.688 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.774 29.242 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.144 28.454 -4.102 1.00 0.00 H new ATOM 719 N PRO A 68 82.611 30.415 -5.153 1.00 0.00 N ATOM 720 CA PRO A 68 83.179 31.513 -5.948 1.00 0.00 C ATOM 721 C PRO A 68 82.263 31.989 -7.093 1.00 0.00 C ATOM 722 O PRO A 68 82.447 33.096 -7.603 1.00 0.00 O ATOM 723 CB PRO A 68 84.517 30.976 -6.469 1.00 0.00 C ATOM 724 CG PRO A 68 84.298 29.466 -6.534 1.00 0.00 C ATOM 725 CD PRO A 68 83.407 29.205 -5.323 1.00 0.00 C ATOM 0 HA PRO A 68 83.301 32.406 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.760 31.388 -7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.339 31.233 -5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.815 29.166 -7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.238 28.917 -6.471 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.769 28.336 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.004 29.000 -4.434 1.00 0.00 H new ATOM 733 N LEU A 69 81.261 31.184 -7.479 1.00 0.00 N ATOM 734 CA LEU A 69 80.254 31.529 -8.490 1.00 0.00 C ATOM 735 C LEU A 69 78.949 32.100 -7.900 1.00 0.00 C ATOM 736 O LEU A 69 77.999 32.295 -8.648 1.00 0.00 O ATOM 737 CB LEU A 69 79.980 30.312 -9.402 1.00 0.00 C ATOM 738 CG LEU A 69 81.182 29.793 -10.213 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.759 28.546 -10.986 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.723 30.816 -11.214 1.00 0.00 C ATOM 0 H LEU A 69 81.127 30.252 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 69 80.673 32.339 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.605 29.497 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.184 30.576 -10.098 1.00 0.00 H new ATOM 0 HG LEU A 69 81.976 29.580 -9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.604 28.172 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.429 27.778 -10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.941 28.797 -11.661 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.568 30.387 -11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.939 31.081 -11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 69 82.048 31.710 -10.681 1.00 0.00 H new ATOM 752 N ALA A 70 78.849 32.375 -6.595 1.00 0.00 N ATOM 753 CA ALA A 70 77.607 32.856 -5.985 1.00 0.00 C ATOM 754 C ALA A 70 77.059 34.121 -6.682 1.00 0.00 C ATOM 755 O ALA A 70 77.743 35.143 -6.804 1.00 0.00 O ATOM 756 CB ALA A 70 77.831 33.089 -4.487 1.00 0.00 C ATOM 0 H ALA A 70 79.621 32.271 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 70 76.844 32.089 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.907 33.447 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.130 32.153 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.616 33.833 -4.348 1.00 0.00 H new ATOM 762 N GLY A 71 75.811 34.030 -7.148 1.00 0.00 N ATOM 763 CA GLY A 71 75.114 35.059 -7.932 1.00 0.00 C ATOM 764 C GLY A 71 75.440 35.076 -9.437 1.00 0.00 C ATOM 765 O GLY A 71 74.937 35.944 -10.150 1.00 0.00 O ATOM 0 H GLY A 71 75.233 33.206 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.040 34.918 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.356 36.036 -7.514 1.00 0.00 H new ATOM 769 N LEU A 72 76.264 34.141 -9.929 1.00 0.00 N ATOM 770 CA LEU A 72 76.681 34.006 -11.335 1.00 0.00 C ATOM 771 C LEU A 72 75.870 32.890 -12.052 1.00 0.00 C ATOM 772 O LEU A 72 75.245 32.068 -11.374 1.00 0.00 O ATOM 773 CB LEU A 72 78.219 33.819 -11.390 1.00 0.00 C ATOM 774 CG LEU A 72 79.068 34.846 -10.606 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.542 34.681 -10.978 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.700 36.306 -10.891 1.00 0.00 C ATOM 0 H LEU A 72 76.678 33.425 -9.332 1.00 0.00 H new ATOM 0 HA LEU A 72 76.453 34.915 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.455 32.823 -11.014 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.529 33.847 -12.435 1.00 0.00 H new ATOM 0 HG LEU A 72 78.872 34.643 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.140 35.405 -10.425 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.870 33.672 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.668 34.848 -12.048 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.340 36.964 -10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.840 36.516 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.658 36.478 -10.621 1.00 0.00 H new ATOM 788 N PRO A 73 75.817 32.857 -13.400 1.00 0.00 N ATOM 789 CA PRO A 73 74.859 32.052 -14.169 1.00 0.00 C ATOM 790 C PRO A 73 75.194 30.559 -14.195 1.00 0.00 C ATOM 791 O PRO A 73 76.356 30.176 -14.080 1.00 0.00 O ATOM 792 CB PRO A 73 74.898 32.624 -15.589 1.00 0.00 C ATOM 793 CG PRO A 73 76.308 33.185 -15.720 1.00 0.00 C ATOM 794 CD PRO A 73 76.665 33.615 -14.307 1.00 0.00 C ATOM 0 HA PRO A 73 73.874 32.111 -13.707 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.704 31.854 -16.335 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.145 33.400 -15.728 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.003 32.434 -16.096 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.340 34.025 -16.413 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.718 33.423 -14.101 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.505 34.686 -14.179 1.00 0.00 H new ATOM 802 N VAL A 74 74.199 29.702 -14.443 1.00 0.00 N ATOM 803 CA VAL A 74 74.414 28.250 -14.592 1.00 0.00 C ATOM 804 C VAL A 74 74.639 27.829 -16.057 1.00 0.00 C ATOM 805 O VAL A 74 75.480 26.962 -16.297 1.00 0.00 O ATOM 806 CB VAL A 74 73.287 27.454 -13.907 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.506 25.938 -13.993 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.189 27.807 -12.414 1.00 0.00 C ATOM 0 H VAL A 74 73.225 29.988 -14.547 1.00 0.00 H new ATOM 0 HA VAL A 74 75.343 28.003 -14.077 1.00 0.00 H new ATOM 0 HB VAL A 74 72.374 27.726 -14.437 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.684 25.423 -13.495 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.544 25.635 -15.039 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.446 25.678 -13.506 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.385 27.231 -11.956 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.132 27.570 -11.921 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.980 28.871 -12.305 1.00 0.00 H new ATOM 818 N THR A 75 73.967 28.449 -17.039 1.00 0.00 N ATOM 819 CA THR A 75 74.076 28.122 -18.485 1.00 0.00 C ATOM 820 C THR A 75 74.505 29.297 -19.372 1.00 0.00 C ATOM 821 O THR A 75 74.554 30.445 -18.932 1.00 0.00 O ATOM 822 CB THR A 75 72.774 27.515 -19.039 1.00 0.00 C ATOM 823 OG1 THR A 75 71.802 28.526 -19.202 1.00 0.00 O ATOM 824 CG2 THR A 75 72.246 26.389 -18.159 1.00 0.00 C ATOM 0 H THR A 75 73.315 29.211 -16.854 1.00 0.00 H new ATOM 0 HA THR A 75 74.875 27.382 -18.528 1.00 0.00 H new ATOM 0 HB THR A 75 72.998 27.076 -20.011 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.977 28.133 -19.556 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.327 25.992 -18.589 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.991 25.595 -18.098 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.042 26.773 -17.160 1.00 0.00 H new ATOM 832 N ARG A 76 74.775 29.031 -20.664 1.00 0.00 N ATOM 833 CA ARG A 76 75.051 30.082 -21.673 1.00 0.00 C ATOM 834 C ARG A 76 73.847 31.003 -21.896 1.00 0.00 C ATOM 835 O ARG A 76 74.018 32.208 -22.052 1.00 0.00 O ATOM 836 CB ARG A 76 75.581 29.464 -22.988 1.00 0.00 C ATOM 837 CG ARG A 76 74.578 28.574 -23.749 1.00 0.00 C ATOM 838 CD ARG A 76 75.214 27.964 -25.004 1.00 0.00 C ATOM 839 NE ARG A 76 74.239 27.134 -25.742 1.00 0.00 N ATOM 840 CZ ARG A 76 74.012 25.836 -25.617 1.00 0.00 C ATOM 841 NH1 ARG A 76 74.670 25.088 -24.776 1.00 0.00 N ATOM 842 NH2 ARG A 76 73.099 25.259 -26.343 1.00 0.00 N ATOM 0 H ARG A 76 74.809 28.084 -21.042 1.00 0.00 H new ATOM 0 HA ARG A 76 75.842 30.719 -21.277 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.898 30.272 -23.648 1.00 0.00 H new ATOM 0 HB3 ARG A 76 76.467 28.872 -22.760 1.00 0.00 H new ATOM 0 HG2 ARG A 76 74.225 27.777 -23.094 1.00 0.00 H new ATOM 0 HG3 ARG A 76 73.706 29.164 -24.031 1.00 0.00 H new ATOM 0 HD2 ARG A 76 75.584 28.759 -25.652 1.00 0.00 H new ATOM 0 HD3 ARG A 76 76.074 27.357 -24.722 1.00 0.00 H new ATOM 0 HE ARG A 76 73.670 27.622 -26.434 1.00 0.00 H new ATOM 0 HH11 ARG A 76 75.391 25.500 -24.183 1.00 0.00 H new ATOM 0 HH12 ARG A 76 74.464 24.091 -24.711 1.00 0.00 H new ATOM 0 HH21 ARG A 76 72.556 25.807 -27.010 1.00 0.00 H new ATOM 0 HH22 ARG A 76 72.926 24.259 -26.245 1.00 0.00 H new ATOM 856 N SER A 77 72.633 30.450 -21.807 1.00 0.00 N ATOM 857 CA SER A 77 71.390 31.233 -21.825 1.00 0.00 C ATOM 858 C SER A 77 71.287 32.109 -20.574 1.00 0.00 C ATOM 859 O SER A 77 71.064 33.314 -20.693 1.00 0.00 O ATOM 860 CB SER A 77 70.178 30.304 -21.956 1.00 0.00 C ATOM 861 OG SER A 77 69.004 31.066 -22.187 1.00 0.00 O ATOM 0 H SER A 77 72.483 29.445 -21.720 1.00 0.00 H new ATOM 0 HA SER A 77 71.404 31.893 -22.692 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.334 29.603 -22.776 1.00 0.00 H new ATOM 0 HB3 SER A 77 70.064 29.712 -21.048 1.00 0.00 H new ATOM 0 HG SER A 77 68.235 30.465 -22.271 1.00 0.00 H new ATOM 867 N ASP A 78 71.583 31.563 -19.386 1.00 0.00 N ATOM 868 CA ASP A 78 71.593 32.357 -18.149 1.00 0.00 C ATOM 869 C ASP A 78 72.620 33.500 -18.224 1.00 0.00 C ATOM 870 O ASP A 78 72.303 34.635 -17.869 1.00 0.00 O ATOM 871 CB ASP A 78 71.900 31.476 -16.935 1.00 0.00 C ATOM 872 CG ASP A 78 70.904 30.338 -16.680 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.682 30.511 -16.904 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.363 29.289 -16.178 1.00 0.00 O ATOM 0 H ASP A 78 71.818 30.579 -19.256 1.00 0.00 H new ATOM 0 HA ASP A 78 70.598 32.787 -18.036 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.893 31.045 -17.062 1.00 0.00 H new ATOM 0 HB3 ASP A 78 71.938 32.109 -16.048 1.00 0.00 H new ATOM 879 N ALA A 79 73.828 33.233 -18.742 1.00 0.00 N ATOM 880 CA ALA A 79 74.869 34.240 -18.937 1.00 0.00 C ATOM 881 C ALA A 79 74.452 35.345 -19.925 1.00 0.00 C ATOM 882 O ALA A 79 74.629 36.526 -19.626 1.00 0.00 O ATOM 883 CB ALA A 79 76.163 33.521 -19.360 1.00 0.00 C ATOM 0 H ALA A 79 74.108 32.298 -19.039 1.00 0.00 H new ATOM 0 HA ALA A 79 75.040 34.766 -17.998 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.954 34.255 -19.511 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.462 32.821 -18.580 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.990 32.977 -20.289 1.00 0.00 H new ATOM 889 N ARG A 80 73.834 34.999 -21.063 1.00 0.00 N ATOM 890 CA ARG A 80 73.338 35.982 -22.048 1.00 0.00 C ATOM 891 C ARG A 80 72.201 36.845 -21.485 1.00 0.00 C ATOM 892 O ARG A 80 72.221 38.061 -21.664 1.00 0.00 O ATOM 893 CB ARG A 80 72.940 35.240 -23.338 1.00 0.00 C ATOM 894 CG ARG A 80 72.607 36.205 -24.490 1.00 0.00 C ATOM 895 CD ARG A 80 72.344 35.462 -25.806 1.00 0.00 C ATOM 896 NE ARG A 80 71.127 34.622 -25.739 1.00 0.00 N ATOM 897 CZ ARG A 80 70.770 33.678 -26.595 1.00 0.00 C ATOM 898 NH1 ARG A 80 71.483 33.386 -27.646 1.00 0.00 N ATOM 899 NH2 ARG A 80 69.672 33.001 -26.410 1.00 0.00 N ATOM 0 H ARG A 80 73.662 34.030 -21.331 1.00 0.00 H new ATOM 0 HA ARG A 80 74.136 36.685 -22.284 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.755 34.583 -23.642 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.076 34.606 -23.138 1.00 0.00 H new ATOM 0 HG2 ARG A 80 71.730 36.796 -24.226 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.432 36.904 -24.627 1.00 0.00 H new ATOM 0 HD2 ARG A 80 72.241 36.185 -26.615 1.00 0.00 H new ATOM 0 HD3 ARG A 80 73.203 34.836 -26.046 1.00 0.00 H new ATOM 0 HE ARG A 80 70.499 34.788 -24.952 1.00 0.00 H new ATOM 0 HH11 ARG A 80 72.349 33.892 -27.831 1.00 0.00 H new ATOM 0 HH12 ARG A 80 71.175 32.651 -28.283 1.00 0.00 H new ATOM 0 HH21 ARG A 80 69.082 33.197 -25.602 1.00 0.00 H new ATOM 0 HH22 ARG A 80 69.403 32.275 -27.074 1.00 0.00 H new ATOM 913 N VAL A 81 71.260 36.249 -20.746 1.00 0.00 N ATOM 914 CA VAL A 81 70.169 36.978 -20.066 1.00 0.00 C ATOM 915 C VAL A 81 70.720 37.922 -19.002 1.00 0.00 C ATOM 916 O VAL A 81 70.318 39.083 -18.962 1.00 0.00 O ATOM 917 CB VAL A 81 69.146 36.010 -19.442 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.087 36.724 -18.588 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.398 35.262 -20.541 1.00 0.00 C ATOM 0 H VAL A 81 71.228 35.240 -20.598 1.00 0.00 H new ATOM 0 HA VAL A 81 69.656 37.571 -20.823 1.00 0.00 H new ATOM 0 HB VAL A 81 69.721 35.337 -18.806 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.396 35.989 -18.176 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.576 37.258 -17.774 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.537 37.432 -19.208 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.677 34.580 -20.091 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.874 35.977 -21.176 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.108 34.694 -21.143 1.00 0.00 H new ATOM 929 N LEU A 82 71.671 37.464 -18.180 1.00 0.00 N ATOM 930 CA LEU A 82 72.352 38.333 -17.208 1.00 0.00 C ATOM 931 C LEU A 82 73.059 39.515 -17.879 1.00 0.00 C ATOM 932 O LEU A 82 72.839 40.649 -17.456 1.00 0.00 O ATOM 933 CB LEU A 82 73.377 37.547 -16.375 1.00 0.00 C ATOM 934 CG LEU A 82 72.804 36.713 -15.220 1.00 0.00 C ATOM 935 CD1 LEU A 82 73.987 36.068 -14.504 1.00 0.00 C ATOM 936 CD2 LEU A 82 72.031 37.557 -14.205 1.00 0.00 C ATOM 0 H LEU A 82 71.988 36.495 -18.167 1.00 0.00 H new ATOM 0 HA LEU A 82 71.571 38.721 -16.554 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.924 36.881 -17.042 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.100 38.252 -15.965 1.00 0.00 H new ATOM 0 HG LEU A 82 72.107 35.984 -15.633 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.624 35.464 -13.673 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.533 35.434 -15.202 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.651 36.845 -14.125 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.650 36.914 -13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.694 38.308 -13.776 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.197 38.052 -14.703 1.00 0.00 H new ATOM 948 N ILE A 83 73.853 39.274 -18.933 1.00 0.00 N ATOM 949 CA ILE A 83 74.516 40.342 -19.702 1.00 0.00 C ATOM 950 C ILE A 83 73.479 41.360 -20.181 1.00 0.00 C ATOM 951 O ILE A 83 73.638 42.553 -19.930 1.00 0.00 O ATOM 952 CB ILE A 83 75.333 39.756 -20.880 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.606 39.073 -20.327 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.712 40.835 -21.920 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.280 38.128 -21.328 1.00 0.00 C ATOM 0 H ILE A 83 74.054 38.335 -19.277 1.00 0.00 H new ATOM 0 HA ILE A 83 75.223 40.858 -19.052 1.00 0.00 H new ATOM 0 HB ILE A 83 74.710 39.024 -21.393 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.319 39.841 -20.028 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.346 38.512 -19.429 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.284 40.377 -22.727 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.805 41.283 -22.326 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.315 41.607 -21.441 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.165 37.686 -20.871 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.583 37.338 -21.609 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.571 38.687 -22.217 1.00 0.00 H new ATOM 967 N PHE A 84 72.400 40.898 -20.823 1.00 0.00 N ATOM 968 CA PHE A 84 71.373 41.781 -21.366 1.00 0.00 C ATOM 969 C PHE A 84 70.635 42.574 -20.281 1.00 0.00 C ATOM 970 O PHE A 84 70.570 43.795 -20.380 1.00 0.00 O ATOM 971 CB PHE A 84 70.392 40.978 -22.228 1.00 0.00 C ATOM 972 CG PHE A 84 69.532 41.830 -23.146 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.136 42.734 -24.042 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.131 41.686 -23.151 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.362 43.446 -24.969 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.350 42.423 -24.061 1.00 0.00 C ATOM 977 CZ PHE A 84 67.964 43.297 -24.977 1.00 0.00 C ATOM 0 H PHE A 84 72.219 39.906 -20.978 1.00 0.00 H new ATOM 0 HA PHE A 84 71.877 42.519 -21.990 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.954 40.266 -22.832 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.742 40.397 -21.574 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.206 42.880 -24.014 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.656 41.010 -22.456 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.839 44.108 -25.676 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.275 42.317 -24.056 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.364 43.851 -25.683 1.00 0.00 H new ATOM 987 N ASN A 85 70.128 41.923 -19.228 1.00 0.00 N ATOM 988 CA ASN A 85 69.369 42.602 -18.179 1.00 0.00 C ATOM 989 C ASN A 85 70.238 43.582 -17.366 1.00 0.00 C ATOM 990 O ASN A 85 69.828 44.719 -17.122 1.00 0.00 O ATOM 991 CB ASN A 85 68.701 41.561 -17.266 1.00 0.00 C ATOM 992 CG ASN A 85 67.894 42.263 -16.181 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.753 42.656 -16.384 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.476 42.496 -15.026 1.00 0.00 N ATOM 0 H ASN A 85 70.232 40.919 -19.082 1.00 0.00 H new ATOM 0 HA ASN A 85 68.598 43.204 -18.659 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.050 40.914 -17.854 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.459 40.923 -16.812 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.977 43.005 -14.297 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.427 42.168 -14.859 1.00 0.00 H new ATOM 1001 N GLU A 86 71.440 43.154 -16.956 1.00 0.00 N ATOM 1002 CA GLU A 86 72.364 44.012 -16.210 1.00 0.00 C ATOM 1003 C GLU A 86 72.772 45.222 -17.054 1.00 0.00 C ATOM 1004 O GLU A 86 72.689 46.350 -16.565 1.00 0.00 O ATOM 1005 CB GLU A 86 73.592 43.211 -15.747 1.00 0.00 C ATOM 1006 CG GLU A 86 74.508 44.043 -14.841 1.00 0.00 C ATOM 1007 CD GLU A 86 75.673 43.188 -14.309 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.729 43.105 -14.983 1.00 0.00 O ATOM 1009 OE2 GLU A 86 75.547 42.604 -13.204 1.00 0.00 O ATOM 0 H GLU A 86 71.794 42.214 -17.131 1.00 0.00 H new ATOM 0 HA GLU A 86 71.855 44.382 -15.320 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.264 42.320 -15.212 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.153 42.871 -16.617 1.00 0.00 H new ATOM 0 HG2 GLU A 86 74.900 44.895 -15.396 1.00 0.00 H new ATOM 0 HG3 GLU A 86 73.934 44.444 -14.006 1.00 0.00 H new ATOM 1016 N TRP A 87 73.126 45.020 -18.331 1.00 0.00 N ATOM 1017 CA TRP A 87 73.371 46.132 -19.239 1.00 0.00 C ATOM 1018 C TRP A 87 72.136 47.019 -19.403 1.00 0.00 C ATOM 1019 O TRP A 87 72.285 48.220 -19.272 1.00 0.00 O ATOM 1020 CB TRP A 87 73.845 45.614 -20.590 1.00 0.00 C ATOM 1021 CG TRP A 87 73.929 46.649 -21.665 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.912 47.559 -21.845 1.00 0.00 C ATOM 1023 CD2 TRP A 87 73.008 46.832 -22.776 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.663 48.286 -22.993 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.514 47.862 -23.622 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.843 46.162 -23.197 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.924 48.176 -24.853 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.239 46.484 -24.420 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.769 47.485 -25.253 1.00 0.00 C ATOM 0 H TRP A 87 73.247 44.098 -18.750 1.00 0.00 H new ATOM 0 HA TRP A 87 74.155 46.750 -18.801 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.828 45.160 -20.465 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.169 44.824 -20.918 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.761 47.697 -21.192 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.257 49.043 -23.332 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.412 45.394 -22.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.352 48.939 -25.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.350 45.954 -24.728 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.292 47.720 -26.193 1.00 0.00 H new ATOM 1040 N GLU A 88 70.930 46.490 -19.622 1.00 0.00 N ATOM 1041 CA GLU A 88 69.722 47.308 -19.780 1.00 0.00 C ATOM 1042 C GLU A 88 69.452 48.225 -18.571 1.00 0.00 C ATOM 1043 O GLU A 88 69.180 49.409 -18.766 1.00 0.00 O ATOM 1044 CB GLU A 88 68.491 46.423 -20.035 1.00 0.00 C ATOM 1045 CG GLU A 88 68.319 46.004 -21.500 1.00 0.00 C ATOM 1046 CD GLU A 88 66.941 45.337 -21.708 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.638 44.308 -21.055 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.128 45.867 -22.507 1.00 0.00 O ATOM 0 H GLU A 88 70.762 45.487 -19.695 1.00 0.00 H new ATOM 0 HA GLU A 88 69.904 47.948 -20.644 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.565 45.528 -19.418 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.598 46.959 -19.713 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.410 46.876 -22.148 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.112 45.312 -21.783 1.00 0.00 H new ATOM 1055 N GLU A 89 69.560 47.732 -17.331 1.00 0.00 N ATOM 1056 CA GLU A 89 69.353 48.565 -16.130 1.00 0.00 C ATOM 1057 C GLU A 89 70.480 49.598 -15.937 1.00 0.00 C ATOM 1058 O GLU A 89 70.232 50.808 -15.806 1.00 0.00 O ATOM 1059 CB GLU A 89 69.208 47.676 -14.880 1.00 0.00 C ATOM 1060 CG GLU A 89 67.915 46.847 -14.906 1.00 0.00 C ATOM 1061 CD GLU A 89 67.704 46.078 -13.585 1.00 0.00 C ATOM 1062 OE1 GLU A 89 67.417 46.721 -12.545 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.794 44.824 -13.574 1.00 0.00 O ATOM 0 H GLU A 89 69.790 46.759 -17.128 1.00 0.00 H new ATOM 0 HA GLU A 89 68.429 49.125 -16.276 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.066 47.007 -14.810 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.219 48.302 -13.988 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.064 47.505 -15.084 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.952 46.141 -15.736 1.00 0.00 H new ATOM 1070 N ARG A 90 71.738 49.137 -15.996 1.00 0.00 N ATOM 1071 CA ARG A 90 72.912 50.019 -15.902 1.00 0.00 C ATOM 1072 C ARG A 90 72.861 51.092 -16.974 1.00 0.00 C ATOM 1073 O ARG A 90 72.945 52.261 -16.649 1.00 0.00 O ATOM 1074 CB ARG A 90 74.216 49.229 -16.051 1.00 0.00 C ATOM 1075 CG ARG A 90 74.508 48.267 -14.902 1.00 0.00 C ATOM 1076 CD ARG A 90 75.064 48.950 -13.644 1.00 0.00 C ATOM 1077 NE ARG A 90 73.998 49.518 -12.789 1.00 0.00 N ATOM 1078 CZ ARG A 90 73.886 50.759 -12.344 1.00 0.00 C ATOM 1079 NH1 ARG A 90 74.620 51.743 -12.775 1.00 0.00 N ATOM 1080 NH2 ARG A 90 72.996 51.045 -11.436 1.00 0.00 N ATOM 0 H ARG A 90 71.970 48.150 -16.109 1.00 0.00 H new ATOM 0 HA ARG A 90 72.890 50.483 -14.916 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.179 48.663 -16.982 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.044 49.932 -16.139 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.591 47.739 -14.641 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.222 47.517 -15.242 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.641 48.227 -13.067 1.00 0.00 H new ATOM 0 HD3 ARG A 90 75.750 49.744 -13.939 1.00 0.00 H new ATOM 0 HE ARG A 90 73.259 48.874 -12.508 1.00 0.00 H new ATOM 0 HH11 ARG A 90 75.326 51.577 -13.493 1.00 0.00 H new ATOM 0 HH12 ARG A 90 74.490 52.681 -12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 90 72.388 50.313 -11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 90 72.908 52.001 -11.091 1.00 0.00 H new ATOM 1094 N LYS A 91 72.632 50.707 -18.226 1.00 0.00 N ATOM 1095 CA LYS A 91 72.532 51.601 -19.397 1.00 0.00 C ATOM 1096 C LYS A 91 71.317 52.531 -19.357 1.00 0.00 C ATOM 1097 O LYS A 91 71.434 53.669 -19.803 1.00 0.00 O ATOM 1098 CB LYS A 91 72.588 50.776 -20.701 1.00 0.00 C ATOM 1099 CG LYS A 91 72.808 51.570 -22.002 1.00 0.00 C ATOM 1100 CD LYS A 91 71.505 51.899 -22.751 1.00 0.00 C ATOM 1101 CE LYS A 91 71.822 52.567 -24.099 1.00 0.00 C ATOM 1102 NZ LYS A 91 70.584 52.868 -24.876 1.00 0.00 N ATOM 0 H LYS A 91 72.504 49.726 -18.473 1.00 0.00 H new ATOM 0 HA LYS A 91 73.395 52.266 -19.365 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.389 50.043 -20.608 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.656 50.219 -20.794 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.327 52.499 -21.767 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.461 50.998 -22.661 1.00 0.00 H new ATOM 0 HD2 LYS A 91 70.931 50.987 -22.915 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.886 52.561 -22.145 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.375 53.490 -23.925 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.468 51.913 -24.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.841 53.318 -25.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.069 51.984 -25.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 69.978 53.512 -24.328 1.00 0.00 H new ATOM 1116 N LYS A 92 70.188 52.134 -18.752 1.00 0.00 N ATOM 1117 CA LYS A 92 69.097 53.060 -18.401 1.00 0.00 C ATOM 1118 C LYS A 92 69.603 54.167 -17.460 1.00 0.00 C ATOM 1119 O LYS A 92 69.229 55.326 -17.636 1.00 0.00 O ATOM 1120 CB LYS A 92 67.914 52.250 -17.832 1.00 0.00 C ATOM 1121 CG LYS A 92 66.694 53.092 -17.421 1.00 0.00 C ATOM 1122 CD LYS A 92 66.367 53.047 -15.916 1.00 0.00 C ATOM 1123 CE LYS A 92 67.493 53.617 -15.037 1.00 0.00 C ATOM 1124 NZ LYS A 92 67.127 53.636 -13.593 1.00 0.00 N ATOM 0 H LYS A 92 70.004 51.165 -18.492 1.00 0.00 H new ATOM 0 HA LYS A 92 68.735 53.579 -19.289 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.599 51.520 -18.578 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.260 51.689 -16.964 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.868 54.128 -17.712 1.00 0.00 H new ATOM 0 HG3 LYS A 92 65.824 52.746 -17.980 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.451 53.609 -15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 92 66.172 52.015 -15.623 1.00 0.00 H new ATOM 0 HE2 LYS A 92 68.395 53.020 -15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 92 67.729 54.630 -15.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 67.916 54.028 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 66.282 54.226 -13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 66.928 52.667 -13.273 1.00 0.00 H new ATOM 1138 N SER A 93 70.498 53.839 -16.522 1.00 0.00 N ATOM 1139 CA SER A 93 71.219 54.856 -15.718 1.00 0.00 C ATOM 1140 C SER A 93 72.474 55.475 -16.390 1.00 0.00 C ATOM 1141 O SER A 93 72.943 56.529 -15.957 1.00 0.00 O ATOM 1142 CB SER A 93 71.582 54.275 -14.347 1.00 0.00 C ATOM 1143 OG SER A 93 70.399 53.886 -13.657 1.00 0.00 O ATOM 0 H SER A 93 70.747 52.877 -16.294 1.00 0.00 H new ATOM 0 HA SER A 93 70.521 55.687 -15.618 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.241 53.416 -14.469 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.128 55.015 -13.762 1.00 0.00 H new ATOM 0 HG SER A 93 70.638 53.514 -12.782 1.00 0.00 H new ATOM 1149 N GLU A 94 73.022 54.851 -17.439 1.00 0.00 N ATOM 1150 CA GLU A 94 74.345 55.109 -18.044 1.00 0.00 C ATOM 1151 C GLU A 94 74.294 54.963 -19.586 1.00 0.00 C ATOM 1152 O GLU A 94 74.806 53.980 -20.131 1.00 0.00 O ATOM 1153 CB GLU A 94 75.396 54.128 -17.468 1.00 0.00 C ATOM 1154 CG GLU A 94 75.561 54.182 -15.948 1.00 0.00 C ATOM 1155 CD GLU A 94 76.671 53.220 -15.478 1.00 0.00 C ATOM 1156 OE1 GLU A 94 77.873 53.535 -15.664 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.351 52.158 -14.886 1.00 0.00 O ATOM 0 H GLU A 94 72.526 54.103 -17.923 1.00 0.00 H new ATOM 0 HA GLU A 94 74.629 56.133 -17.802 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.119 53.113 -17.753 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.360 54.338 -17.931 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.803 55.200 -15.641 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.619 53.919 -15.467 1.00 0.00 H new ATOM 1164 N PRO A 95 73.670 55.896 -20.335 1.00 0.00 N ATOM 1165 CA PRO A 95 73.309 55.707 -21.753 1.00 0.00 C ATOM 1166 C PRO A 95 74.478 55.465 -22.738 1.00 0.00 C ATOM 1167 O PRO A 95 74.242 55.153 -23.906 1.00 0.00 O ATOM 1168 CB PRO A 95 72.474 56.941 -22.128 1.00 0.00 C ATOM 1169 CG PRO A 95 72.858 57.988 -21.083 1.00 0.00 C ATOM 1170 CD PRO A 95 73.098 57.137 -19.840 1.00 0.00 C ATOM 0 HA PRO A 95 72.758 54.772 -21.850 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.702 57.284 -23.137 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.406 56.723 -22.099 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.750 58.544 -21.373 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.064 58.718 -20.928 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.776 57.635 -19.147 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.168 56.955 -19.301 1.00 0.00 H new ATOM 1178 N TRP A 96 75.727 55.568 -22.278 1.00 0.00 N ATOM 1179 CA TRP A 96 76.962 55.279 -23.017 1.00 0.00 C ATOM 1180 C TRP A 96 77.411 53.799 -22.988 1.00 0.00 C ATOM 1181 O TRP A 96 78.354 53.442 -23.700 1.00 0.00 O ATOM 1182 CB TRP A 96 78.058 56.185 -22.432 1.00 0.00 C ATOM 1183 CG TRP A 96 78.230 56.092 -20.942 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.982 55.178 -20.287 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.609 56.913 -19.903 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.875 55.378 -18.923 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.040 56.434 -18.628 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.716 58.007 -19.907 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.608 57.007 -17.423 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.281 58.595 -18.701 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.722 58.096 -17.462 1.00 0.00 C ATOM 0 H TRP A 96 75.916 55.873 -21.323 1.00 0.00 H new ATOM 0 HA TRP A 96 76.773 55.478 -24.072 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.006 55.937 -22.908 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.831 57.219 -22.693 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.576 54.409 -20.758 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.355 54.814 -18.222 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.361 58.400 -20.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.952 56.616 -16.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.603 59.436 -18.729 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.380 58.549 -16.543 1.00 0.00 H new ATOM 1202 N LEU A 97 76.800 52.933 -22.164 1.00 0.00 N ATOM 1203 CA LEU A 97 77.331 51.609 -21.832 1.00 0.00 C ATOM 1204 C LEU A 97 77.392 50.620 -23.018 1.00 0.00 C ATOM 1205 O LEU A 97 76.437 50.481 -23.789 1.00 0.00 O ATOM 1206 CB LEU A 97 76.485 51.039 -20.680 1.00 0.00 C ATOM 1207 CG LEU A 97 77.141 49.885 -19.919 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.410 50.299 -19.169 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.152 49.343 -18.892 1.00 0.00 C ATOM 0 H LEU A 97 75.912 53.139 -21.706 1.00 0.00 H new ATOM 0 HA LEU A 97 78.373 51.736 -21.539 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.265 51.842 -19.977 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.531 50.696 -21.082 1.00 0.00 H new ATOM 0 HG LEU A 97 77.418 49.138 -20.662 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.825 49.434 -18.651 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.143 50.683 -19.878 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.167 51.075 -18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.611 48.520 -18.344 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.880 50.136 -18.195 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.257 48.986 -19.402 1.00 0.00 H new ATOM 1221 N ARG A 98 78.498 49.867 -23.109 1.00 0.00 N ATOM 1222 CA ARG A 98 78.768 48.851 -24.149 1.00 0.00 C ATOM 1223 C ARG A 98 78.148 47.481 -23.826 1.00 0.00 C ATOM 1224 O ARG A 98 77.931 47.149 -22.661 1.00 0.00 O ATOM 1225 CB ARG A 98 80.289 48.729 -24.345 1.00 0.00 C ATOM 1226 CG ARG A 98 80.922 50.008 -24.928 1.00 0.00 C ATOM 1227 CD ARG A 98 82.455 49.982 -24.867 1.00 0.00 C ATOM 1228 NE ARG A 98 83.040 48.914 -25.706 1.00 0.00 N ATOM 1229 CZ ARG A 98 84.299 48.506 -25.694 1.00 0.00 C ATOM 1230 NH1 ARG A 98 85.191 49.035 -24.905 1.00 0.00 N ATOM 1231 NH2 ARG A 98 84.689 47.548 -26.485 1.00 0.00 N ATOM 0 H ARG A 98 79.261 49.949 -22.437 1.00 0.00 H new ATOM 0 HA ARG A 98 78.294 49.184 -25.073 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.757 48.502 -23.387 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.499 47.890 -25.009 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.604 50.128 -25.964 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.554 50.875 -24.379 1.00 0.00 H new ATOM 0 HD2 ARG A 98 82.844 50.947 -25.191 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.771 49.841 -23.833 1.00 0.00 H new ATOM 0 HE ARG A 98 82.411 48.446 -26.358 1.00 0.00 H new ATOM 0 HH11 ARG A 98 84.928 49.789 -24.270 1.00 0.00 H new ATOM 0 HH12 ARG A 98 86.153 48.696 -24.922 1.00 0.00 H new ATOM 0 HH21 ARG A 98 84.023 47.107 -27.119 1.00 0.00 H new ATOM 0 HH22 ARG A 98 85.661 47.239 -26.471 1.00 0.00 H new ATOM 1245 N LEU A 99 77.891 46.687 -24.869 1.00 0.00 N ATOM 1246 CA LEU A 99 77.187 45.395 -24.836 1.00 0.00 C ATOM 1247 C LEU A 99 77.897 44.385 -25.761 1.00 0.00 C ATOM 1248 O LEU A 99 78.171 44.698 -26.921 1.00 0.00 O ATOM 1249 CB LEU A 99 75.736 45.686 -25.272 1.00 0.00 C ATOM 1250 CG LEU A 99 74.663 44.581 -25.212 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.809 43.618 -26.394 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.607 43.859 -23.868 1.00 0.00 C ATOM 0 H LEU A 99 78.183 46.939 -25.813 1.00 0.00 H new ATOM 0 HA LEU A 99 77.189 44.943 -23.844 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.378 46.516 -24.663 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.775 46.041 -26.302 1.00 0.00 H new ATOM 0 HG LEU A 99 73.695 45.074 -25.301 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.042 42.846 -26.332 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.695 44.168 -27.328 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.794 43.153 -26.365 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.830 43.095 -23.897 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.570 43.390 -23.667 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.381 44.576 -23.079 1.00 0.00 H new ATOM 1264 N ASP A 100 78.195 43.180 -25.260 1.00 0.00 N ATOM 1265 CA ASP A 100 78.883 42.117 -26.017 1.00 0.00 C ATOM 1266 C ASP A 100 78.406 40.716 -25.582 1.00 0.00 C ATOM 1267 O ASP A 100 78.328 40.434 -24.386 1.00 0.00 O ATOM 1268 CB ASP A 100 80.403 42.275 -25.829 1.00 0.00 C ATOM 1269 CG ASP A 100 81.248 41.328 -26.704 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.725 40.754 -27.690 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.460 41.183 -26.415 1.00 0.00 O ATOM 0 H ASP A 100 77.963 42.908 -24.305 1.00 0.00 H new ATOM 0 HA ASP A 100 78.639 42.215 -27.075 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.681 43.305 -26.054 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.649 42.100 -24.782 1.00 0.00 H new ATOM 1276 N MET A 101 78.065 39.849 -26.545 1.00 0.00 N ATOM 1277 CA MET A 101 77.417 38.542 -26.316 1.00 0.00 C ATOM 1278 C MET A 101 78.066 37.363 -27.074 1.00 0.00 C ATOM 1279 O MET A 101 77.535 36.249 -27.041 1.00 0.00 O ATOM 1280 CB MET A 101 75.922 38.648 -26.667 1.00 0.00 C ATOM 1281 CG MET A 101 75.155 39.621 -25.768 1.00 0.00 C ATOM 1282 SD MET A 101 73.403 39.715 -26.208 1.00 0.00 S ATOM 1283 CE MET A 101 72.812 40.863 -24.942 1.00 0.00 C ATOM 0 H MET A 101 78.235 40.039 -27.533 1.00 0.00 H new ATOM 0 HA MET A 101 77.553 38.311 -25.259 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.822 38.967 -27.704 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.468 37.660 -26.592 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.251 39.307 -24.729 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.601 40.613 -25.844 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.899 40.471 -24.493 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.574 40.979 -24.172 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.606 41.832 -25.397 1.00 0.00 H new ATOM 1293 N SER A 102 79.198 37.574 -27.756 1.00 0.00 N ATOM 1294 CA SER A 102 79.960 36.498 -28.416 1.00 0.00 C ATOM 1295 C SER A 102 80.500 35.481 -27.398 1.00 0.00 C ATOM 1296 O SER A 102 80.713 35.816 -26.236 1.00 0.00 O ATOM 1297 CB SER A 102 81.119 37.082 -29.235 1.00 0.00 C ATOM 1298 OG SER A 102 80.615 37.896 -30.287 1.00 0.00 O ATOM 0 H SER A 102 79.616 38.498 -27.868 1.00 0.00 H new ATOM 0 HA SER A 102 79.275 35.977 -29.085 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.770 37.671 -28.589 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.725 36.276 -29.648 1.00 0.00 H new ATOM 0 HG SER A 102 81.363 38.265 -30.802 1.00 0.00 H new ATOM 1304 N ASP A 103 80.766 34.243 -27.823 1.00 0.00 N ATOM 1305 CA ASP A 103 81.219 33.145 -26.948 1.00 0.00 C ATOM 1306 C ASP A 103 82.389 33.520 -26.012 1.00 0.00 C ATOM 1307 O ASP A 103 82.321 33.266 -24.807 1.00 0.00 O ATOM 1308 CB ASP A 103 81.538 31.898 -27.794 1.00 0.00 C ATOM 1309 CG ASP A 103 82.743 32.016 -28.758 1.00 0.00 C ATOM 1310 OD1 ASP A 103 83.086 33.135 -29.213 1.00 0.00 O ATOM 1311 OD2 ASP A 103 83.325 30.961 -29.110 1.00 0.00 O ATOM 0 H ASP A 103 80.673 33.965 -28.800 1.00 0.00 H new ATOM 0 HA ASP A 103 80.392 32.922 -26.274 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.721 31.063 -27.118 1.00 0.00 H new ATOM 0 HB3 ASP A 103 80.654 31.646 -28.380 1.00 0.00 H new ATOM 1316 N LYS A 104 83.399 34.234 -26.528 1.00 0.00 N ATOM 1317 CA LYS A 104 84.527 34.783 -25.751 1.00 0.00 C ATOM 1318 C LYS A 104 84.089 35.676 -24.584 1.00 0.00 C ATOM 1319 O LYS A 104 84.671 35.576 -23.508 1.00 0.00 O ATOM 1320 CB LYS A 104 85.485 35.537 -26.691 1.00 0.00 C ATOM 1321 CG LYS A 104 86.249 34.579 -27.623 1.00 0.00 C ATOM 1322 CD LYS A 104 87.165 35.303 -28.623 1.00 0.00 C ATOM 1323 CE LYS A 104 88.329 36.039 -27.939 1.00 0.00 C ATOM 1324 NZ LYS A 104 89.245 36.664 -28.934 1.00 0.00 N ATOM 0 H LYS A 104 83.459 34.453 -27.522 1.00 0.00 H new ATOM 0 HA LYS A 104 85.044 33.937 -25.297 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.919 36.251 -27.289 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.197 36.112 -26.099 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.849 33.898 -27.019 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.532 33.970 -28.173 1.00 0.00 H new ATOM 0 HD2 LYS A 104 87.566 34.579 -29.332 1.00 0.00 H new ATOM 0 HD3 LYS A 104 86.576 36.018 -29.197 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.934 36.808 -27.275 1.00 0.00 H new ATOM 0 HE3 LYS A 104 88.888 35.339 -27.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 90.018 37.151 -28.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 89.641 35.927 -29.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 88.716 37.351 -29.509 1.00 0.00 H new ATOM 1338 N ALA A 105 83.041 36.490 -24.742 1.00 0.00 N ATOM 1339 CA ALA A 105 82.499 37.338 -23.673 1.00 0.00 C ATOM 1340 C ALA A 105 81.982 36.508 -22.489 1.00 0.00 C ATOM 1341 O ALA A 105 82.236 36.847 -21.331 1.00 0.00 O ATOM 1342 CB ALA A 105 81.408 38.251 -24.260 1.00 0.00 C ATOM 0 H ALA A 105 82.539 36.581 -25.625 1.00 0.00 H new ATOM 0 HA ALA A 105 83.300 37.959 -23.272 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.000 38.884 -23.472 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.839 38.877 -25.042 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.611 37.640 -24.683 1.00 0.00 H new ATOM 1348 N ILE A 106 81.314 35.392 -22.788 1.00 0.00 N ATOM 1349 CA ILE A 106 80.729 34.481 -21.799 1.00 0.00 C ATOM 1350 C ILE A 106 81.839 33.679 -21.115 1.00 0.00 C ATOM 1351 O ILE A 106 81.873 33.644 -19.890 1.00 0.00 O ATOM 1352 CB ILE A 106 79.637 33.606 -22.463 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.320 34.389 -22.659 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.301 32.347 -21.638 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.397 35.641 -23.544 1.00 0.00 C ATOM 0 H ILE A 106 81.160 35.088 -23.749 1.00 0.00 H new ATOM 0 HA ILE A 106 80.226 35.042 -21.011 1.00 0.00 H new ATOM 0 HB ILE A 106 80.057 33.312 -23.425 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.581 33.712 -23.087 1.00 0.00 H new ATOM 0 HG13 ILE A 106 77.950 34.686 -21.678 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.530 31.771 -22.150 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.196 31.736 -21.526 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.939 32.643 -20.654 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.412 36.104 -23.606 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.104 36.349 -23.112 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.729 35.360 -24.543 1.00 0.00 H new ATOM 1367 N PHE A 107 82.795 33.129 -21.870 1.00 0.00 N ATOM 1368 CA PHE A 107 83.960 32.430 -21.302 1.00 0.00 C ATOM 1369 C PHE A 107 84.769 33.315 -20.340 1.00 0.00 C ATOM 1370 O PHE A 107 85.161 32.878 -19.258 1.00 0.00 O ATOM 1371 CB PHE A 107 84.915 31.983 -22.419 1.00 0.00 C ATOM 1372 CG PHE A 107 84.363 31.126 -23.540 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.274 30.253 -23.350 1.00 0.00 C ATOM 1374 CD2 PHE A 107 84.996 31.193 -24.795 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.823 29.450 -24.413 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.541 30.393 -25.858 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.460 29.515 -25.664 1.00 0.00 C ATOM 0 H PHE A 107 82.787 33.154 -22.890 1.00 0.00 H new ATOM 0 HA PHE A 107 83.559 31.577 -20.755 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.344 32.879 -22.867 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.735 31.435 -21.955 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.785 30.200 -22.388 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.833 31.860 -24.942 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.986 28.783 -24.268 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.022 30.453 -26.823 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.119 28.890 -26.477 1.00 0.00 H new ATOM 1387 N ARG A 108 85.027 34.570 -20.741 1.00 0.00 N ATOM 1388 CA ARG A 108 85.875 35.516 -20.010 1.00 0.00 C ATOM 1389 C ARG A 108 85.174 36.071 -18.763 1.00 0.00 C ATOM 1390 O ARG A 108 85.816 36.207 -17.722 1.00 0.00 O ATOM 1391 CB ARG A 108 86.346 36.562 -21.039 1.00 0.00 C ATOM 1392 CG ARG A 108 87.603 37.352 -20.658 1.00 0.00 C ATOM 1393 CD ARG A 108 87.381 38.505 -19.669 1.00 0.00 C ATOM 1394 NE ARG A 108 88.626 39.275 -19.470 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.817 40.276 -18.626 1.00 0.00 C ATOM 1396 NH1 ARG A 108 87.870 40.716 -17.846 1.00 0.00 N ATOM 1397 NH2 ARG A 108 89.979 40.859 -18.551 1.00 0.00 N ATOM 0 H ARG A 108 84.642 34.960 -21.601 1.00 0.00 H new ATOM 0 HA ARG A 108 86.757 35.039 -19.583 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.531 36.055 -21.986 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.533 37.268 -21.209 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.329 36.662 -20.228 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.047 37.756 -21.568 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.597 39.164 -20.042 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.037 38.109 -18.714 1.00 0.00 H new ATOM 0 HE ARG A 108 89.424 39.006 -20.045 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.945 40.286 -17.874 1.00 0.00 H new ATOM 0 HH12 ARG A 108 88.054 41.490 -17.208 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.747 40.544 -19.144 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.121 41.630 -17.899 1.00 0.00 H new ATOM 1411 N ARG A 109 83.853 36.307 -18.824 1.00 0.00 N ATOM 1412 CA ARG A 109 83.035 36.633 -17.630 1.00 0.00 C ATOM 1413 C ARG A 109 82.857 35.437 -16.684 1.00 0.00 C ATOM 1414 O ARG A 109 82.921 35.609 -15.466 1.00 0.00 O ATOM 1415 CB ARG A 109 81.661 37.164 -18.068 1.00 0.00 C ATOM 1416 CG ARG A 109 81.757 38.605 -18.586 1.00 0.00 C ATOM 1417 CD ARG A 109 80.467 39.020 -19.305 1.00 0.00 C ATOM 1418 NE ARG A 109 80.479 40.454 -19.669 1.00 0.00 N ATOM 1419 CZ ARG A 109 81.190 41.054 -20.609 1.00 0.00 C ATOM 1420 NH1 ARG A 109 82.037 40.407 -21.360 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.069 42.334 -20.804 1.00 0.00 N ATOM 0 H ARG A 109 83.319 36.279 -19.693 1.00 0.00 H new ATOM 0 HA ARG A 109 83.574 37.400 -17.074 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.253 36.522 -18.848 1.00 0.00 H new ATOM 0 HB3 ARG A 109 80.969 37.123 -17.227 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.947 39.282 -17.753 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.602 38.694 -19.268 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.342 38.417 -20.205 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.611 38.815 -18.663 1.00 0.00 H new ATOM 0 HE ARG A 109 79.860 41.056 -19.126 1.00 0.00 H new ATOM 0 HH11 ARG A 109 82.169 39.404 -21.232 1.00 0.00 H new ATOM 0 HH12 ARG A 109 82.568 40.904 -22.075 1.00 0.00 H new ATOM 0 HH21 ARG A 109 80.424 42.878 -20.231 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.619 42.794 -21.530 1.00 0.00 H new ATOM 1435 N TYR A 110 82.649 34.244 -17.243 1.00 0.00 N ATOM 1436 CA TYR A 110 82.203 33.041 -16.535 1.00 0.00 C ATOM 1437 C TYR A 110 83.078 31.824 -16.912 1.00 0.00 C ATOM 1438 O TYR A 110 82.751 31.090 -17.850 1.00 0.00 O ATOM 1439 CB TYR A 110 80.712 32.820 -16.847 1.00 0.00 C ATOM 1440 CG TYR A 110 79.835 34.038 -16.631 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.722 34.607 -15.349 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.176 34.632 -17.725 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.957 35.778 -15.167 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.400 35.795 -17.544 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.289 36.371 -16.259 1.00 0.00 C ATOM 1446 OH TYR A 110 77.542 37.492 -16.063 1.00 0.00 O ATOM 0 H TYR A 110 82.792 34.082 -18.240 1.00 0.00 H new ATOM 0 HA TYR A 110 82.317 33.168 -15.458 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.615 32.498 -17.884 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.341 32.006 -16.224 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.219 34.149 -14.507 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.266 34.194 -18.708 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.882 36.223 -14.186 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.892 36.244 -18.385 1.00 0.00 H new ATOM 0 HH TYR A 110 77.149 37.776 -16.914 1.00 0.00 H new ATOM 1456 N PRO A 111 84.199 31.580 -16.202 1.00 0.00 N ATOM 1457 CA PRO A 111 85.194 30.579 -16.606 1.00 0.00 C ATOM 1458 C PRO A 111 84.695 29.127 -16.512 1.00 0.00 C ATOM 1459 O PRO A 111 85.237 28.249 -17.185 1.00 0.00 O ATOM 1460 CB PRO A 111 86.409 30.832 -15.705 1.00 0.00 C ATOM 1461 CG PRO A 111 85.807 31.469 -14.454 1.00 0.00 C ATOM 1462 CD PRO A 111 84.658 32.300 -15.021 1.00 0.00 C ATOM 0 HA PRO A 111 85.434 30.690 -17.663 1.00 0.00 H new ATOM 0 HB2 PRO A 111 86.933 29.905 -15.470 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.131 31.494 -16.183 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.454 30.718 -13.747 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.532 32.088 -13.926 1.00 0.00 H new ATOM 0 HD2 PRO A 111 83.855 32.408 -14.291 1.00 0.00 H new ATOM 0 HD3 PRO A 111 84.991 33.305 -15.280 1.00 0.00 H new ATOM 1470 N HIS A 112 83.639 28.860 -15.731 1.00 0.00 N ATOM 1471 CA HIS A 112 82.980 27.547 -15.674 1.00 0.00 C ATOM 1472 C HIS A 112 82.166 27.229 -16.942 1.00 0.00 C ATOM 1473 O HIS A 112 81.950 26.058 -17.263 1.00 0.00 O ATOM 1474 CB HIS A 112 82.088 27.492 -14.426 1.00 0.00 C ATOM 1475 CG HIS A 112 80.792 28.259 -14.554 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.661 29.607 -14.912 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.550 27.713 -14.418 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.336 29.838 -14.966 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.656 28.725 -14.667 1.00 0.00 N ATOM 0 H HIS A 112 83.215 29.554 -15.116 1.00 0.00 H new ATOM 0 HA HIS A 112 83.756 26.784 -15.616 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.859 26.450 -14.203 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.647 27.885 -13.577 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.316 26.689 -14.165 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.885 30.787 -15.215 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.640 28.642 -14.630 1.00 0.00 H new ATOM 1487 N LEU A 113 81.741 28.263 -17.680 1.00 0.00 N ATOM 1488 CA LEU A 113 80.959 28.190 -18.908 1.00 0.00 C ATOM 1489 C LEU A 113 81.821 27.993 -20.182 1.00 0.00 C ATOM 1490 O LEU A 113 81.280 27.939 -21.291 1.00 0.00 O ATOM 1491 CB LEU A 113 80.064 29.454 -18.955 1.00 0.00 C ATOM 1492 CG LEU A 113 78.560 29.210 -19.152 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.294 28.436 -20.440 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.919 28.477 -17.981 1.00 0.00 C ATOM 0 H LEU A 113 81.949 29.226 -17.415 1.00 0.00 H new ATOM 0 HA LEU A 113 80.336 27.296 -18.897 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.203 30.008 -18.026 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.417 30.094 -19.764 1.00 0.00 H new ATOM 0 HG LEU A 113 78.103 30.198 -19.215 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.222 28.277 -20.554 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.669 29.005 -21.291 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.801 27.472 -20.396 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.857 28.334 -18.179 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.398 27.506 -17.853 1.00 0.00 H new ATOM 0 HD23 LEU A 113 78.043 29.065 -17.072 1.00 0.00 H new ATOM 1506 N ARG A 114 83.151 27.872 -20.034 1.00 0.00 N ATOM 1507 CA ARG A 114 84.107 27.524 -21.100 1.00 0.00 C ATOM 1508 C ARG A 114 84.302 26.002 -21.184 1.00 0.00 C ATOM 1509 O ARG A 114 83.877 25.403 -22.199 1.00 0.00 O ATOM 1510 CB ARG A 114 85.412 28.321 -20.900 1.00 0.00 C ATOM 1511 CG ARG A 114 86.360 28.344 -22.115 1.00 0.00 C ATOM 1512 CD ARG A 114 87.106 27.026 -22.360 1.00 0.00 C ATOM 1513 NE ARG A 114 88.118 27.162 -23.424 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.907 26.206 -23.880 1.00 0.00 C ATOM 1515 NH1 ARG A 114 88.868 24.992 -23.408 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.762 26.454 -24.829 1.00 0.00 N ATOM 1517 OXT ARG A 114 84.865 25.401 -20.237 1.00 0.00 O ATOM 0 H ARG A 114 83.608 28.020 -19.134 1.00 0.00 H new ATOM 0 HA ARG A 114 83.712 27.814 -22.074 1.00 0.00 H new ATOM 0 HB2 ARG A 114 85.155 29.348 -20.640 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.948 27.901 -20.049 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.783 28.592 -23.006 1.00 0.00 H new ATOM 0 HG3 ARG A 114 87.091 29.141 -21.976 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.589 26.704 -21.437 1.00 0.00 H new ATOM 0 HD3 ARG A 114 86.392 26.249 -22.634 1.00 0.00 H new ATOM 0 HE ARG A 114 88.218 28.084 -23.849 1.00 0.00 H new ATOM 0 HH11 ARG A 114 88.213 24.755 -22.663 1.00 0.00 H new ATOM 0 HH12 ARG A 114 89.492 24.278 -23.784 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.826 27.392 -25.226 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.368 25.711 -25.176 1.00 0.00 H new