USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 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 HD1:sc= 0.0233 X(o=-1,f=-1.5) USER MOD Set 1.2: A 112 HIS : no HD1:sc= -1.06 K(o=-1,f=-2.2) USER MOD Single : A 28 SER OG : rot -29:sc= 0.0358 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 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,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 -131:sc= -3.55! (180deg=-5.74!) 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 25.906 15.087 -56.807 1.00 0.00 N ATOM 172 CA SER A 28 26.237 16.337 -56.098 1.00 0.00 C ATOM 173 C SER A 28 26.426 16.100 -54.589 1.00 0.00 C ATOM 174 O SER A 28 25.936 15.108 -54.037 1.00 0.00 O ATOM 175 CB SER A 28 25.146 17.398 -56.330 1.00 0.00 C ATOM 176 OG SER A 28 23.873 16.958 -55.867 1.00 0.00 O ATOM 0 HA SER A 28 27.181 16.701 -56.504 1.00 0.00 H new ATOM 0 HB2 SER A 28 25.421 18.320 -55.817 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.086 17.631 -57.393 1.00 0.00 H new ATOM 0 HG SER A 28 23.823 15.981 -55.925 1.00 0.00 H new ATOM 182 N VAL A 29 27.143 17.005 -53.908 1.00 0.00 N ATOM 183 CA VAL A 29 27.345 16.983 -52.445 1.00 0.00 C ATOM 184 C VAL A 29 27.561 18.398 -51.882 1.00 0.00 C ATOM 185 O VAL A 29 28.236 19.227 -52.498 1.00 0.00 O ATOM 186 CB VAL A 29 28.495 16.021 -52.057 1.00 0.00 C ATOM 187 CG1 VAL A 29 29.868 16.429 -52.608 1.00 0.00 C ATOM 188 CG2 VAL A 29 28.609 15.835 -50.539 1.00 0.00 C ATOM 0 H VAL A 29 27.609 17.789 -54.364 1.00 0.00 H new ATOM 0 HA VAL A 29 26.433 16.600 -51.988 1.00 0.00 H new ATOM 0 HB VAL A 29 28.216 15.077 -52.526 1.00 0.00 H new ATOM 0 HG11 VAL A 29 30.617 15.704 -52.291 1.00 0.00 H new ATOM 0 HG12 VAL A 29 29.829 16.458 -53.697 1.00 0.00 H new ATOM 0 HG13 VAL A 29 30.134 17.415 -52.228 1.00 0.00 H new ATOM 0 HG21 VAL A 29 29.429 15.152 -50.317 1.00 0.00 H new ATOM 0 HG22 VAL A 29 28.801 16.799 -50.068 1.00 0.00 H new ATOM 0 HG23 VAL A 29 27.678 15.421 -50.152 1.00 0.00 H new ATOM 198 N SER A 30 26.990 18.673 -50.706 1.00 0.00 N ATOM 199 CA SER A 30 27.173 19.917 -49.937 1.00 0.00 C ATOM 200 C SER A 30 26.897 19.708 -48.439 1.00 0.00 C ATOM 201 O SER A 30 26.145 18.806 -48.050 1.00 0.00 O ATOM 202 CB SER A 30 26.274 21.039 -50.486 1.00 0.00 C ATOM 203 OG SER A 30 24.895 20.688 -50.435 1.00 0.00 O ATOM 0 H SER A 30 26.364 18.014 -50.242 1.00 0.00 H new ATOM 0 HA SER A 30 28.216 20.212 -50.050 1.00 0.00 H new ATOM 0 HB2 SER A 30 26.438 21.950 -49.910 1.00 0.00 H new ATOM 0 HB3 SER A 30 26.555 21.258 -51.516 1.00 0.00 H new ATOM 0 HG SER A 30 24.356 21.426 -50.790 1.00 0.00 H new ATOM 209 N PHE A 31 27.517 20.533 -47.588 1.00 0.00 N ATOM 210 CA PHE A 31 27.335 20.533 -46.128 1.00 0.00 C ATOM 211 C PHE A 31 27.625 21.913 -45.502 1.00 0.00 C ATOM 212 O PHE A 31 28.377 22.719 -46.061 1.00 0.00 O ATOM 213 CB PHE A 31 28.209 19.438 -45.485 1.00 0.00 C ATOM 214 CG PHE A 31 29.703 19.549 -45.746 1.00 0.00 C ATOM 215 CD1 PHE A 31 30.525 20.291 -44.875 1.00 0.00 C ATOM 216 CD2 PHE A 31 30.276 18.895 -46.856 1.00 0.00 C ATOM 217 CE1 PHE A 31 31.908 20.385 -45.118 1.00 0.00 C ATOM 218 CE2 PHE A 31 31.658 18.991 -47.098 1.00 0.00 C ATOM 219 CZ PHE A 31 32.474 19.737 -46.229 1.00 0.00 C ATOM 0 H PHE A 31 28.180 21.241 -47.903 1.00 0.00 H new ATOM 0 HA PHE A 31 26.287 20.313 -45.926 1.00 0.00 H new ATOM 0 HB2 PHE A 31 28.045 19.454 -44.408 1.00 0.00 H new ATOM 0 HB3 PHE A 31 27.867 18.468 -45.845 1.00 0.00 H new ATOM 0 HD1 PHE A 31 30.093 20.789 -44.019 1.00 0.00 H new ATOM 0 HD2 PHE A 31 29.652 18.319 -47.522 1.00 0.00 H new ATOM 0 HE1 PHE A 31 32.535 20.956 -44.450 1.00 0.00 H new ATOM 0 HE2 PHE A 31 32.093 18.492 -47.951 1.00 0.00 H new ATOM 0 HZ PHE A 31 33.535 19.812 -46.415 1.00 0.00 H new ATOM 229 N GLY A 32 27.040 22.169 -44.325 1.00 0.00 N ATOM 230 CA GLY A 32 27.155 23.433 -43.580 1.00 0.00 C ATOM 231 C GLY A 32 26.263 24.567 -44.118 1.00 0.00 C ATOM 232 O GLY A 32 25.980 24.647 -45.317 1.00 0.00 O ATOM 0 H GLY A 32 26.455 21.482 -43.849 1.00 0.00 H new ATOM 0 HA2 GLY A 32 26.901 23.251 -42.536 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.194 23.762 -43.603 1.00 0.00 H new ATOM 236 N ALA A 33 25.811 25.446 -43.216 1.00 0.00 N ATOM 237 CA ALA A 33 24.964 26.608 -43.522 1.00 0.00 C ATOM 238 C ALA A 33 25.201 27.778 -42.526 1.00 0.00 C ATOM 239 O ALA A 33 24.303 28.116 -41.744 1.00 0.00 O ATOM 240 CB ALA A 33 23.498 26.135 -43.563 1.00 0.00 C ATOM 0 H ALA A 33 26.030 25.367 -42.223 1.00 0.00 H new ATOM 0 HA ALA A 33 25.228 27.017 -44.497 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.849 26.981 -43.789 1.00 0.00 H new ATOM 0 HB2 ALA A 33 23.383 25.373 -44.334 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.224 25.716 -42.595 1.00 0.00 H new ATOM 246 N PRO A 34 26.410 28.381 -42.495 1.00 0.00 N ATOM 247 CA PRO A 34 26.735 29.481 -41.582 1.00 0.00 C ATOM 248 C PRO A 34 25.969 30.772 -41.934 1.00 0.00 C ATOM 249 O PRO A 34 25.977 31.222 -43.085 1.00 0.00 O ATOM 250 CB PRO A 34 28.253 29.661 -41.684 1.00 0.00 C ATOM 251 CG PRO A 34 28.573 29.191 -43.104 1.00 0.00 C ATOM 252 CD PRO A 34 27.564 28.065 -43.331 1.00 0.00 C ATOM 0 HA PRO A 34 26.432 29.253 -40.560 1.00 0.00 H new ATOM 0 HB2 PRO A 34 28.545 30.700 -41.529 1.00 0.00 H new ATOM 0 HB3 PRO A 34 28.779 29.067 -40.936 1.00 0.00 H new ATOM 0 HG2 PRO A 34 28.452 29.994 -43.831 1.00 0.00 H new ATOM 0 HG3 PRO A 34 29.600 28.836 -43.189 1.00 0.00 H new ATOM 0 HD2 PRO A 34 27.279 28.003 -44.381 1.00 0.00 H new ATOM 0 HD3 PRO A 34 27.990 27.099 -43.059 1.00 0.00 H new ATOM 260 N SER A 35 25.345 31.388 -40.921 1.00 0.00 N ATOM 261 CA SER A 35 24.532 32.615 -41.043 1.00 0.00 C ATOM 262 C SER A 35 24.769 33.561 -39.844 1.00 0.00 C ATOM 263 O SER A 35 23.882 33.713 -38.994 1.00 0.00 O ATOM 264 CB SER A 35 23.039 32.259 -41.191 1.00 0.00 C ATOM 265 OG SER A 35 22.780 31.550 -42.399 1.00 0.00 O ATOM 0 H SER A 35 25.391 31.039 -39.964 1.00 0.00 H new ATOM 0 HA SER A 35 24.844 33.145 -41.943 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.724 31.655 -40.340 1.00 0.00 H new ATOM 0 HB3 SER A 35 22.444 33.172 -41.171 1.00 0.00 H new ATOM 0 HG SER A 35 21.824 31.340 -42.457 1.00 0.00 H new ATOM 271 N PRO A 36 25.966 34.175 -39.719 1.00 0.00 N ATOM 272 CA PRO A 36 26.289 35.096 -38.626 1.00 0.00 C ATOM 273 C PRO A 36 25.480 36.408 -38.701 1.00 0.00 C ATOM 274 O PRO A 36 25.049 36.837 -39.775 1.00 0.00 O ATOM 275 CB PRO A 36 27.799 35.337 -38.735 1.00 0.00 C ATOM 276 CG PRO A 36 28.068 35.183 -40.232 1.00 0.00 C ATOM 277 CD PRO A 36 27.099 34.072 -40.635 1.00 0.00 C ATOM 0 HA PRO A 36 26.020 34.672 -37.658 1.00 0.00 H new ATOM 0 HB2 PRO A 36 28.076 36.328 -38.376 1.00 0.00 H new ATOM 0 HB3 PRO A 36 28.366 34.615 -38.147 1.00 0.00 H new ATOM 0 HG2 PRO A 36 27.873 36.107 -40.776 1.00 0.00 H new ATOM 0 HG3 PRO A 36 29.104 34.909 -40.431 1.00 0.00 H new ATOM 0 HD2 PRO A 36 26.777 34.191 -41.669 1.00 0.00 H new ATOM 0 HD3 PRO A 36 27.574 33.094 -40.560 1.00 0.00 H new ATOM 285 N LEU A 37 25.290 37.065 -37.548 1.00 0.00 N ATOM 286 CA LEU A 37 24.480 38.292 -37.424 1.00 0.00 C ATOM 287 C LEU A 37 25.209 39.557 -37.929 1.00 0.00 C ATOM 288 O LEU A 37 24.558 40.550 -38.266 1.00 0.00 O ATOM 289 CB LEU A 37 24.020 38.458 -35.959 1.00 0.00 C ATOM 290 CG LEU A 37 22.770 37.641 -35.569 1.00 0.00 C ATOM 291 CD1 LEU A 37 22.970 36.124 -35.628 1.00 0.00 C ATOM 292 CD2 LEU A 37 22.361 37.998 -34.140 1.00 0.00 C ATOM 0 H LEU A 37 25.697 36.759 -36.664 1.00 0.00 H new ATOM 0 HA LEU A 37 23.610 38.178 -38.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.841 38.172 -35.302 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.817 39.513 -35.775 1.00 0.00 H new ATOM 0 HG LEU A 37 22.005 37.900 -36.301 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.046 35.624 -35.340 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.240 35.832 -36.643 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.767 35.835 -34.943 1.00 0.00 H new ATOM 0 HD21 LEU A 37 21.478 37.423 -33.860 1.00 0.00 H new ATOM 0 HD22 LEU A 37 23.178 37.763 -33.458 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.134 39.063 -34.082 1.00 0.00 H new ATOM 304 N SER A 38 26.545 39.526 -37.994 1.00 0.00 N ATOM 305 CA SER A 38 27.403 40.595 -38.533 1.00 0.00 C ATOM 306 C SER A 38 28.719 40.032 -39.094 1.00 0.00 C ATOM 307 O SER A 38 29.131 38.923 -38.738 1.00 0.00 O ATOM 308 CB SER A 38 27.700 41.612 -37.426 1.00 0.00 C ATOM 309 OG SER A 38 28.322 42.772 -37.964 1.00 0.00 O ATOM 0 H SER A 38 27.082 38.726 -37.660 1.00 0.00 H new ATOM 0 HA SER A 38 26.873 41.080 -39.353 1.00 0.00 H new ATOM 0 HB2 SER A 38 26.774 41.890 -36.923 1.00 0.00 H new ATOM 0 HB3 SER A 38 28.348 41.161 -36.675 1.00 0.00 H new ATOM 0 HG SER A 38 28.502 43.411 -37.243 1.00 0.00 H new ATOM 315 N SER A 39 29.386 40.794 -39.967 1.00 0.00 N ATOM 316 CA SER A 39 30.674 40.425 -40.578 1.00 0.00 C ATOM 317 C SER A 39 31.537 41.650 -40.912 1.00 0.00 C ATOM 318 O SER A 39 32.741 41.661 -40.638 1.00 0.00 O ATOM 319 CB SER A 39 30.414 39.599 -41.846 1.00 0.00 C ATOM 320 OG SER A 39 31.634 39.100 -42.378 1.00 0.00 O ATOM 0 H SER A 39 29.042 41.703 -40.277 1.00 0.00 H new ATOM 0 HA SER A 39 31.231 39.834 -39.851 1.00 0.00 H new ATOM 0 HB2 SER A 39 29.746 38.769 -41.615 1.00 0.00 H new ATOM 0 HB3 SER A 39 29.911 40.216 -42.591 1.00 0.00 H new ATOM 0 HG SER A 39 31.449 38.575 -43.185 1.00 0.00 H new ATOM 326 N GLU A 40 30.935 42.708 -41.459 1.00 0.00 N ATOM 327 CA GLU A 40 31.627 43.926 -41.892 1.00 0.00 C ATOM 328 C GLU A 40 32.138 44.764 -40.700 1.00 0.00 C ATOM 329 O GLU A 40 31.349 45.235 -39.873 1.00 0.00 O ATOM 330 CB GLU A 40 30.694 44.776 -42.778 1.00 0.00 C ATOM 331 CG GLU A 40 30.262 44.115 -44.101 1.00 0.00 C ATOM 332 CD GLU A 40 29.261 42.941 -43.961 1.00 0.00 C ATOM 333 OE1 GLU A 40 28.526 42.847 -42.945 1.00 0.00 O ATOM 334 OE2 GLU A 40 29.198 42.097 -44.888 1.00 0.00 O ATOM 0 H GLU A 40 29.928 42.743 -41.617 1.00 0.00 H new ATOM 0 HA GLU A 40 32.500 43.618 -42.468 1.00 0.00 H new ATOM 0 HB2 GLU A 40 29.800 45.022 -42.205 1.00 0.00 H new ATOM 0 HB3 GLU A 40 31.195 45.717 -43.007 1.00 0.00 H new ATOM 0 HG2 GLU A 40 29.815 44.877 -44.739 1.00 0.00 H new ATOM 0 HG3 GLU A 40 31.153 43.752 -44.614 1.00 0.00 H new ATOM 341 N SER A 41 33.460 44.972 -40.621 1.00 0.00 N ATOM 342 CA SER A 41 34.125 45.752 -39.557 1.00 0.00 C ATOM 343 C SER A 41 35.410 46.449 -40.059 1.00 0.00 C ATOM 344 O SER A 41 36.428 46.523 -39.367 1.00 0.00 O ATOM 345 CB SER A 41 34.374 44.838 -38.344 1.00 0.00 C ATOM 346 OG SER A 41 34.516 45.593 -37.145 1.00 0.00 O ATOM 0 H SER A 41 34.114 44.596 -41.308 1.00 0.00 H new ATOM 0 HA SER A 41 33.468 46.564 -39.246 1.00 0.00 H new ATOM 0 HB2 SER A 41 33.546 44.137 -38.239 1.00 0.00 H new ATOM 0 HB3 SER A 41 35.274 44.246 -38.511 1.00 0.00 H new ATOM 0 HG SER A 41 34.672 44.985 -36.392 1.00 0.00 H new ATOM 352 N GLU A 42 35.387 46.918 -41.314 1.00 0.00 N ATOM 353 CA GLU A 42 36.573 47.410 -42.045 1.00 0.00 C ATOM 354 C GLU A 42 36.352 48.711 -42.846 1.00 0.00 C ATOM 355 O GLU A 42 37.256 49.165 -43.550 1.00 0.00 O ATOM 356 CB GLU A 42 37.123 46.274 -42.929 1.00 0.00 C ATOM 357 CG GLU A 42 36.173 45.842 -44.058 1.00 0.00 C ATOM 358 CD GLU A 42 36.801 44.716 -44.900 1.00 0.00 C ATOM 359 OE1 GLU A 42 36.600 43.520 -44.573 1.00 0.00 O ATOM 360 OE2 GLU A 42 37.493 45.012 -45.906 1.00 0.00 O ATOM 0 H GLU A 42 34.529 46.969 -41.864 1.00 0.00 H new ATOM 0 HA GLU A 42 37.311 47.695 -41.296 1.00 0.00 H new ATOM 0 HB2 GLU A 42 38.069 46.594 -43.367 1.00 0.00 H new ATOM 0 HB3 GLU A 42 37.339 45.410 -42.300 1.00 0.00 H new ATOM 0 HG2 GLU A 42 35.228 45.502 -43.634 1.00 0.00 H new ATOM 0 HG3 GLU A 42 35.947 46.696 -44.696 1.00 0.00 H new ATOM 367 N ASP A 43 35.170 49.337 -42.751 1.00 0.00 N ATOM 368 CA ASP A 43 34.802 50.501 -43.584 1.00 0.00 C ATOM 369 C ASP A 43 35.529 51.804 -43.195 1.00 0.00 C ATOM 370 O ASP A 43 35.727 52.698 -44.021 1.00 0.00 O ATOM 371 CB ASP A 43 33.279 50.674 -43.544 1.00 0.00 C ATOM 372 CG ASP A 43 32.789 51.750 -44.531 1.00 0.00 C ATOM 373 OD1 ASP A 43 32.883 51.531 -45.764 1.00 0.00 O ATOM 374 OD2 ASP A 43 32.272 52.800 -44.081 1.00 0.00 O ATOM 0 H ASP A 43 34.440 49.054 -42.097 1.00 0.00 H new ATOM 0 HA ASP A 43 35.132 50.295 -44.602 1.00 0.00 H new ATOM 0 HB2 ASP A 43 32.801 49.723 -43.779 1.00 0.00 H new ATOM 0 HB3 ASP A 43 32.972 50.944 -42.533 1.00 0.00 H new ATOM 379 N GLU A 44 35.962 51.884 -41.936 1.00 0.00 N ATOM 380 CA GLU A 44 36.697 53.017 -41.344 1.00 0.00 C ATOM 381 C GLU A 44 37.844 52.590 -40.395 1.00 0.00 C ATOM 382 O GLU A 44 38.349 53.403 -39.615 1.00 0.00 O ATOM 383 CB GLU A 44 35.701 53.989 -40.675 1.00 0.00 C ATOM 384 CG GLU A 44 34.960 53.404 -39.463 1.00 0.00 C ATOM 385 CD GLU A 44 33.994 54.443 -38.859 1.00 0.00 C ATOM 386 OE1 GLU A 44 34.420 55.250 -37.995 1.00 0.00 O ATOM 387 OE2 GLU A 44 32.795 54.459 -39.232 1.00 0.00 O ATOM 0 H GLU A 44 35.806 51.130 -41.266 1.00 0.00 H new ATOM 0 HA GLU A 44 37.204 53.539 -42.155 1.00 0.00 H new ATOM 0 HB2 GLU A 44 36.240 54.882 -40.359 1.00 0.00 H new ATOM 0 HB3 GLU A 44 34.967 54.305 -41.416 1.00 0.00 H new ATOM 0 HG2 GLU A 44 34.404 52.516 -39.765 1.00 0.00 H new ATOM 0 HG3 GLU A 44 35.680 53.088 -38.708 1.00 0.00 H new ATOM 631 N ALA A 61 67.051 33.861 -15.913 1.00 0.00 N ATOM 632 CA ALA A 61 68.390 33.337 -15.646 1.00 0.00 C ATOM 633 C ALA A 61 68.451 32.566 -14.314 1.00 0.00 C ATOM 634 O ALA A 61 68.096 33.105 -13.262 1.00 0.00 O ATOM 635 CB ALA A 61 69.411 34.482 -15.681 1.00 0.00 C ATOM 0 HA ALA A 61 68.640 32.620 -16.428 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.407 34.087 -15.482 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.397 34.952 -16.664 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.155 35.221 -14.922 1.00 0.00 H new ATOM 641 N ALA A 62 68.938 31.325 -14.350 1.00 0.00 N ATOM 642 CA ALA A 62 69.268 30.532 -13.167 1.00 0.00 C ATOM 643 C ALA A 62 70.710 30.812 -12.701 1.00 0.00 C ATOM 644 O ALA A 62 71.612 31.029 -13.517 1.00 0.00 O ATOM 645 CB ALA A 62 69.020 29.049 -13.458 1.00 0.00 C ATOM 0 H ALA A 62 69.118 30.832 -15.225 1.00 0.00 H new ATOM 0 HA ALA A 62 68.618 30.821 -12.341 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.266 28.459 -12.575 1.00 0.00 H new ATOM 0 HB2 ALA A 62 67.971 28.899 -13.714 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.646 28.732 -14.292 1.00 0.00 H new ATOM 651 N LEU A 63 70.923 30.822 -11.380 1.00 0.00 N ATOM 652 CA LEU A 63 72.171 31.258 -10.742 1.00 0.00 C ATOM 653 C LEU A 63 72.724 30.214 -9.757 1.00 0.00 C ATOM 654 O LEU A 63 71.979 29.403 -9.202 1.00 0.00 O ATOM 655 CB LEU A 63 71.947 32.598 -10.008 1.00 0.00 C ATOM 656 CG LEU A 63 71.331 33.740 -10.839 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.157 34.975 -9.956 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.204 34.142 -12.025 1.00 0.00 C ATOM 0 H LEU A 63 70.216 30.520 -10.709 1.00 0.00 H new ATOM 0 HA LEU A 63 72.910 31.384 -11.533 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.301 32.413 -9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.906 32.938 -9.618 1.00 0.00 H new ATOM 0 HG LEU A 63 70.377 33.373 -11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.721 35.784 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.497 34.736 -9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.128 35.288 -9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.721 34.950 -12.575 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.176 34.479 -11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.339 33.285 -12.684 1.00 0.00 H new ATOM 670 N HIS A 64 74.030 30.285 -9.489 1.00 0.00 N ATOM 671 CA HIS A 64 74.682 29.560 -8.392 1.00 0.00 C ATOM 672 C HIS A 64 74.441 30.285 -7.058 1.00 0.00 C ATOM 673 O HIS A 64 74.520 31.514 -7.004 1.00 0.00 O ATOM 674 CB HIS A 64 76.180 29.449 -8.689 1.00 0.00 C ATOM 675 CG HIS A 64 76.529 28.535 -9.836 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.580 27.140 -9.768 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.928 28.937 -11.079 1.00 0.00 C ATOM 678 CE1 HIS A 64 77.020 26.732 -10.971 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.240 27.790 -11.772 1.00 0.00 N ATOM 0 H HIS A 64 74.675 30.856 -10.035 1.00 0.00 H new ATOM 0 HA HIS A 64 74.259 28.559 -8.309 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.569 30.444 -8.904 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.689 29.095 -7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.987 29.952 -11.444 1.00 0.00 H new ATOM 0 HE1 HIS A 64 77.175 25.701 -11.254 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.581 27.749 -12.732 1.00 0.00 H new ATOM 687 N ALA A 65 74.174 29.548 -5.977 1.00 0.00 N ATOM 688 CA ALA A 65 73.815 30.133 -4.676 1.00 0.00 C ATOM 689 C ALA A 65 75.005 30.328 -3.712 1.00 0.00 C ATOM 690 O ALA A 65 74.934 31.164 -2.809 1.00 0.00 O ATOM 691 CB ALA A 65 72.730 29.246 -4.053 1.00 0.00 C ATOM 0 H ALA A 65 74.200 28.528 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 65 73.449 31.145 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.440 29.652 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.861 29.219 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.117 28.236 -3.921 1.00 0.00 H new ATOM 697 N GLU A 66 76.090 29.564 -3.884 1.00 0.00 N ATOM 698 CA GLU A 66 77.227 29.479 -2.948 1.00 0.00 C ATOM 699 C GLU A 66 78.587 29.386 -3.673 1.00 0.00 C ATOM 700 O GLU A 66 78.655 29.122 -4.879 1.00 0.00 O ATOM 701 CB GLU A 66 77.046 28.263 -2.016 1.00 0.00 C ATOM 702 CG GLU A 66 75.829 28.374 -1.086 1.00 0.00 C ATOM 703 CD GLU A 66 75.795 27.204 -0.085 1.00 0.00 C ATOM 704 OE1 GLU A 66 75.196 26.145 -0.398 1.00 0.00 O ATOM 705 OE2 GLU A 66 76.363 27.332 1.028 1.00 0.00 O ATOM 0 H GLU A 66 76.209 28.968 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 66 77.235 30.400 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 66 76.948 27.363 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.945 28.143 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.864 29.320 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.913 28.379 -1.677 1.00 0.00 H new ATOM 712 N GLY A 67 79.683 29.586 -2.928 1.00 0.00 N ATOM 713 CA GLY A 67 81.058 29.496 -3.438 1.00 0.00 C ATOM 714 C GLY A 67 81.484 30.687 -4.315 1.00 0.00 C ATOM 715 O GLY A 67 80.821 31.730 -4.312 1.00 0.00 O ATOM 0 H GLY A 67 79.638 29.819 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.743 29.418 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.160 28.578 -4.017 1.00 0.00 H new ATOM 719 N PRO A 68 82.579 30.559 -5.093 1.00 0.00 N ATOM 720 CA PRO A 68 83.125 31.656 -5.903 1.00 0.00 C ATOM 721 C PRO A 68 82.210 32.084 -7.067 1.00 0.00 C ATOM 722 O PRO A 68 82.366 33.188 -7.594 1.00 0.00 O ATOM 723 CB PRO A 68 84.484 31.146 -6.400 1.00 0.00 C ATOM 724 CG PRO A 68 84.309 29.629 -6.434 1.00 0.00 C ATOM 725 CD PRO A 68 83.411 29.369 -5.227 1.00 0.00 C ATOM 0 HA PRO A 68 83.215 32.563 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.725 31.544 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.292 31.441 -5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.846 29.295 -7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.263 29.109 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.800 28.479 -5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.003 29.201 -4.327 1.00 0.00 H new ATOM 733 N LEU A 69 81.237 31.243 -7.449 1.00 0.00 N ATOM 734 CA LEU A 69 80.227 31.544 -8.471 1.00 0.00 C ATOM 735 C LEU A 69 78.917 32.123 -7.900 1.00 0.00 C ATOM 736 O LEU A 69 77.977 32.314 -8.662 1.00 0.00 O ATOM 737 CB LEU A 69 79.963 30.297 -9.342 1.00 0.00 C ATOM 738 CG LEU A 69 81.168 29.773 -10.147 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.765 28.490 -10.870 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.680 30.771 -11.187 1.00 0.00 C ATOM 0 H LEU A 69 81.129 30.313 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 69 80.640 32.336 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.605 29.495 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.157 30.528 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 69 81.973 29.601 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.613 28.113 -11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.459 27.741 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.935 28.698 -11.546 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.529 30.340 -11.718 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.884 30.997 -11.897 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.993 31.688 -10.688 1.00 0.00 H new ATOM 752 N ALA A 70 78.801 32.409 -6.599 1.00 0.00 N ATOM 753 CA ALA A 70 77.550 32.895 -6.011 1.00 0.00 C ATOM 754 C ALA A 70 77.021 34.162 -6.721 1.00 0.00 C ATOM 755 O ALA A 70 77.711 35.180 -6.833 1.00 0.00 O ATOM 756 CB ALA A 70 77.747 33.125 -4.509 1.00 0.00 C ATOM 0 H ALA A 70 79.565 32.311 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 70 76.785 32.132 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.817 33.487 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.032 32.188 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.532 33.865 -4.354 1.00 0.00 H new ATOM 762 N GLY A 71 75.780 34.076 -7.207 1.00 0.00 N ATOM 763 CA GLY A 71 75.101 35.101 -8.010 1.00 0.00 C ATOM 764 C GLY A 71 75.445 35.097 -9.512 1.00 0.00 C ATOM 765 O GLY A 71 74.955 35.960 -10.242 1.00 0.00 O ATOM 0 H GLY A 71 75.195 33.256 -7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.024 34.970 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.346 36.081 -7.601 1.00 0.00 H new ATOM 769 N LEU A 72 76.268 34.151 -9.984 1.00 0.00 N ATOM 770 CA LEU A 72 76.716 34.009 -11.380 1.00 0.00 C ATOM 771 C LEU A 72 75.924 32.883 -12.107 1.00 0.00 C ATOM 772 O LEU A 72 75.267 32.079 -11.439 1.00 0.00 O ATOM 773 CB LEU A 72 78.256 33.828 -11.402 1.00 0.00 C ATOM 774 CG LEU A 72 79.085 34.851 -10.591 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.568 34.700 -10.942 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.715 36.314 -10.855 1.00 0.00 C ATOM 0 H LEU A 72 76.659 33.430 -9.377 1.00 0.00 H new ATOM 0 HA LEU A 72 76.497 34.913 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.487 32.830 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.589 33.866 -12.439 1.00 0.00 H new ATOM 0 HG LEU A 72 78.870 34.631 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.152 35.421 -10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.899 33.690 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.710 34.881 -12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.344 36.964 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.869 36.544 -11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.668 36.477 -10.597 1.00 0.00 H new ATOM 788 N PRO A 73 75.920 32.824 -13.456 1.00 0.00 N ATOM 789 CA PRO A 73 74.963 32.036 -14.243 1.00 0.00 C ATOM 790 C PRO A 73 75.278 30.539 -14.277 1.00 0.00 C ATOM 791 O PRO A 73 76.438 30.143 -14.189 1.00 0.00 O ATOM 792 CB PRO A 73 75.033 32.618 -15.657 1.00 0.00 C ATOM 793 CG PRO A 73 76.460 33.142 -15.766 1.00 0.00 C ATOM 794 CD PRO A 73 76.818 33.543 -14.344 1.00 0.00 C ATOM 0 HA PRO A 73 73.972 32.103 -13.793 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.827 31.859 -16.412 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.303 33.415 -15.798 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.137 32.378 -16.147 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.522 33.991 -16.447 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.856 33.295 -14.124 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.712 34.619 -14.209 1.00 0.00 H new ATOM 802 N VAL A 74 74.269 29.696 -14.505 1.00 0.00 N ATOM 803 CA VAL A 74 74.468 28.243 -14.661 1.00 0.00 C ATOM 804 C VAL A 74 74.682 27.829 -16.132 1.00 0.00 C ATOM 805 O VAL A 74 75.514 26.956 -16.382 1.00 0.00 O ATOM 806 CB VAL A 74 73.339 27.450 -13.974 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.570 25.934 -14.043 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.223 27.817 -12.486 1.00 0.00 C ATOM 0 H VAL A 74 73.296 29.992 -14.587 1.00 0.00 H new ATOM 0 HA VAL A 74 75.396 27.985 -14.150 1.00 0.00 H new ATOM 0 HB VAL A 74 72.429 27.714 -14.512 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.749 25.418 -13.546 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.618 25.620 -15.086 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.508 25.686 -13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.418 27.240 -12.031 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.162 27.590 -11.981 1.00 0.00 H new ATOM 0 HG23 VAL A 74 73.007 28.881 -12.389 1.00 0.00 H new ATOM 818 N THR A 75 74.009 28.460 -17.107 1.00 0.00 N ATOM 819 CA THR A 75 74.087 28.118 -18.552 1.00 0.00 C ATOM 820 C THR A 75 74.478 29.280 -19.474 1.00 0.00 C ATOM 821 O THR A 75 74.561 30.435 -19.057 1.00 0.00 O ATOM 822 CB THR A 75 72.780 27.491 -19.065 1.00 0.00 C ATOM 823 OG1 THR A 75 71.791 28.490 -19.209 1.00 0.00 O ATOM 824 CG2 THR A 75 72.296 26.366 -18.157 1.00 0.00 C ATOM 0 H THR A 75 73.380 29.240 -16.918 1.00 0.00 H new ATOM 0 HA THR A 75 74.898 27.392 -18.599 1.00 0.00 H new ATOM 0 HB THR A 75 72.977 27.047 -20.041 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.962 28.084 -19.537 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.370 25.950 -18.555 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.054 25.584 -18.110 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.117 26.758 -17.156 1.00 0.00 H new ATOM 832 N ARG A 76 74.705 28.978 -20.764 1.00 0.00 N ATOM 833 CA ARG A 76 74.981 29.962 -21.837 1.00 0.00 C ATOM 834 C ARG A 76 73.828 30.957 -21.985 1.00 0.00 C ATOM 835 O ARG A 76 74.054 32.160 -22.082 1.00 0.00 O ATOM 836 CB ARG A 76 75.235 29.161 -23.132 1.00 0.00 C ATOM 837 CG ARG A 76 75.669 29.987 -24.355 1.00 0.00 C ATOM 838 CD ARG A 76 75.719 29.059 -25.579 1.00 0.00 C ATOM 839 NE ARG A 76 76.231 29.746 -26.779 1.00 0.00 N ATOM 840 CZ ARG A 76 75.923 29.508 -28.040 1.00 0.00 C ATOM 841 NH1 ARG A 76 74.991 28.667 -28.390 1.00 0.00 N ATOM 842 NH2 ARG A 76 76.565 30.121 -28.989 1.00 0.00 N ATOM 0 H ARG A 76 74.702 28.016 -21.104 1.00 0.00 H new ATOM 0 HA ARG A 76 75.858 30.564 -21.598 1.00 0.00 H new ATOM 0 HB2 ARG A 76 76.003 28.414 -22.930 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.324 28.620 -23.387 1.00 0.00 H new ATOM 0 HG2 ARG A 76 74.969 30.804 -24.528 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.647 30.437 -24.181 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.352 28.200 -25.356 1.00 0.00 H new ATOM 0 HD3 ARG A 76 74.720 28.674 -25.782 1.00 0.00 H new ATOM 0 HE ARG A 76 76.904 30.495 -26.615 1.00 0.00 H new ATOM 0 HH11 ARG A 76 74.466 28.162 -27.676 1.00 0.00 H new ATOM 0 HH12 ARG A 76 74.787 28.514 -29.378 1.00 0.00 H new ATOM 0 HH21 ARG A 76 77.305 30.784 -28.758 1.00 0.00 H new ATOM 0 HH22 ARG A 76 76.329 29.939 -29.965 1.00 0.00 H new ATOM 856 N SER A 77 72.596 30.448 -21.905 1.00 0.00 N ATOM 857 CA SER A 77 71.380 31.268 -21.853 1.00 0.00 C ATOM 858 C SER A 77 71.366 32.142 -20.596 1.00 0.00 C ATOM 859 O SER A 77 71.209 33.357 -20.707 1.00 0.00 O ATOM 860 CB SER A 77 70.138 30.372 -21.917 1.00 0.00 C ATOM 861 OG SER A 77 68.969 31.168 -22.040 1.00 0.00 O ATOM 0 H SER A 77 72.411 29.445 -21.874 1.00 0.00 H new ATOM 0 HA SER A 77 71.369 31.933 -22.717 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.215 29.691 -22.764 1.00 0.00 H new ATOM 0 HB3 SER A 77 70.076 29.758 -21.019 1.00 0.00 H new ATOM 0 HG SER A 77 68.181 30.587 -22.082 1.00 0.00 H new ATOM 867 N ASP A 78 71.658 31.580 -19.414 1.00 0.00 N ATOM 868 CA ASP A 78 71.698 32.368 -18.174 1.00 0.00 C ATOM 869 C ASP A 78 72.745 33.494 -18.244 1.00 0.00 C ATOM 870 O ASP A 78 72.453 34.625 -17.854 1.00 0.00 O ATOM 871 CB ASP A 78 71.998 31.473 -16.967 1.00 0.00 C ATOM 872 CG ASP A 78 70.985 30.347 -16.717 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.768 30.531 -16.963 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.425 29.296 -16.204 1.00 0.00 O ATOM 0 H ASP A 78 71.869 30.590 -19.291 1.00 0.00 H new ATOM 0 HA ASP A 78 70.713 32.819 -18.056 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.984 31.029 -17.101 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.049 32.098 -16.076 1.00 0.00 H new ATOM 879 N ALA A 79 73.941 33.222 -18.789 1.00 0.00 N ATOM 880 CA ALA A 79 74.997 34.217 -18.961 1.00 0.00 C ATOM 881 C ALA A 79 74.608 35.332 -19.952 1.00 0.00 C ATOM 882 O ALA A 79 74.796 36.511 -19.646 1.00 0.00 O ATOM 883 CB ALA A 79 76.290 33.482 -19.358 1.00 0.00 C ATOM 0 H ALA A 79 74.199 32.294 -19.124 1.00 0.00 H new ATOM 0 HA ALA A 79 75.160 34.741 -18.019 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.094 34.206 -19.492 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.564 32.777 -18.573 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.129 32.941 -20.291 1.00 0.00 H new ATOM 889 N ARG A 80 73.997 35.002 -21.098 1.00 0.00 N ATOM 890 CA ARG A 80 73.503 36.011 -22.061 1.00 0.00 C ATOM 891 C ARG A 80 72.340 36.847 -21.510 1.00 0.00 C ATOM 892 O ARG A 80 72.328 38.060 -21.705 1.00 0.00 O ATOM 893 CB ARG A 80 73.146 35.335 -23.397 1.00 0.00 C ATOM 894 CG ARG A 80 74.415 35.040 -24.217 1.00 0.00 C ATOM 895 CD ARG A 80 74.076 34.346 -25.542 1.00 0.00 C ATOM 896 NE ARG A 80 75.219 34.387 -26.480 1.00 0.00 N ATOM 897 CZ ARG A 80 75.321 33.769 -27.644 1.00 0.00 C ATOM 898 NH1 ARG A 80 74.427 32.927 -28.078 1.00 0.00 N ATOM 899 NH2 ARG A 80 76.348 34.018 -28.401 1.00 0.00 N ATOM 0 H ARG A 80 73.829 34.038 -21.387 1.00 0.00 H new ATOM 0 HA ARG A 80 74.311 36.721 -22.236 1.00 0.00 H new ATOM 0 HB2 ARG A 80 72.606 34.407 -23.207 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.480 35.980 -23.969 1.00 0.00 H new ATOM 0 HG2 ARG A 80 74.945 35.971 -24.417 1.00 0.00 H new ATOM 0 HG3 ARG A 80 75.087 34.409 -23.636 1.00 0.00 H new ATOM 0 HD2 ARG A 80 73.797 33.310 -25.351 1.00 0.00 H new ATOM 0 HD3 ARG A 80 73.212 34.830 -25.997 1.00 0.00 H new ATOM 0 HE ARG A 80 76.017 34.955 -26.197 1.00 0.00 H new ATOM 0 HH11 ARG A 80 73.604 32.720 -27.512 1.00 0.00 H new ATOM 0 HH12 ARG A 80 74.550 32.475 -28.984 1.00 0.00 H new ATOM 0 HH21 ARG A 80 77.059 34.681 -28.094 1.00 0.00 H new ATOM 0 HH22 ARG A 80 76.443 33.550 -29.302 1.00 0.00 H new ATOM 913 N VAL A 81 71.417 36.247 -20.754 1.00 0.00 N ATOM 914 CA VAL A 81 70.325 36.977 -20.078 1.00 0.00 C ATOM 915 C VAL A 81 70.865 37.901 -18.992 1.00 0.00 C ATOM 916 O VAL A 81 70.452 39.054 -18.932 1.00 0.00 O ATOM 917 CB VAL A 81 69.273 36.018 -19.494 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.207 36.753 -18.669 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.556 35.293 -20.629 1.00 0.00 C ATOM 0 H VAL A 81 71.400 35.241 -20.589 1.00 0.00 H new ATOM 0 HA VAL A 81 69.835 37.588 -20.836 1.00 0.00 H new ATOM 0 HB VAL A 81 69.806 35.323 -18.844 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.488 36.033 -18.279 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.685 37.275 -17.840 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.690 37.474 -19.302 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.811 34.614 -20.214 1.00 0.00 H new ATOM 0 HG22 VAL A 81 68.064 36.022 -21.273 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.280 34.724 -21.212 1.00 0.00 H new ATOM 929 N LEU A 82 71.821 37.441 -18.177 1.00 0.00 N ATOM 930 CA LEU A 82 72.510 38.310 -17.211 1.00 0.00 C ATOM 931 C LEU A 82 73.176 39.514 -17.888 1.00 0.00 C ATOM 932 O LEU A 82 72.952 40.641 -17.450 1.00 0.00 O ATOM 933 CB LEU A 82 73.573 37.532 -16.417 1.00 0.00 C ATOM 934 CG LEU A 82 73.060 36.723 -15.217 1.00 0.00 C ATOM 935 CD1 LEU A 82 74.277 36.081 -14.558 1.00 0.00 C ATOM 936 CD2 LEU A 82 72.364 37.599 -14.171 1.00 0.00 C ATOM 0 H LEU A 82 72.137 36.471 -18.166 1.00 0.00 H new ATOM 0 HA LEU A 82 71.741 38.675 -16.530 1.00 0.00 H new ATOM 0 HB2 LEU A 82 74.080 36.850 -17.099 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.321 38.240 -16.059 1.00 0.00 H new ATOM 0 HG LEU A 82 72.332 35.995 -15.575 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.957 35.494 -13.697 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.778 35.430 -15.275 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.966 36.859 -14.231 1.00 0.00 H new ATOM 0 HD21 LEU A 82 72.021 36.976 -13.345 1.00 0.00 H new ATOM 0 HD22 LEU A 82 73.065 38.345 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.510 38.100 -14.626 1.00 0.00 H new ATOM 948 N ILE A 83 73.935 39.292 -18.973 1.00 0.00 N ATOM 949 CA ILE A 83 74.542 40.379 -19.763 1.00 0.00 C ATOM 950 C ILE A 83 73.462 41.368 -20.214 1.00 0.00 C ATOM 951 O ILE A 83 73.599 42.561 -19.964 1.00 0.00 O ATOM 952 CB ILE A 83 75.355 39.818 -20.957 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.660 39.181 -20.428 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.667 40.906 -22.009 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.361 38.268 -21.442 1.00 0.00 C ATOM 0 H ILE A 83 74.145 38.359 -19.327 1.00 0.00 H new ATOM 0 HA ILE A 83 75.248 40.920 -19.132 1.00 0.00 H new ATOM 0 HB ILE A 83 74.751 39.061 -21.457 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.347 39.975 -20.133 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.434 38.605 -19.531 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.238 40.468 -22.827 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.734 41.316 -22.396 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.249 41.703 -21.546 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.268 37.859 -20.997 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.693 37.452 -21.719 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.620 38.843 -22.331 1.00 0.00 H new ATOM 967 N PHE A 84 72.375 40.887 -20.828 1.00 0.00 N ATOM 968 CA PHE A 84 71.322 41.758 -21.351 1.00 0.00 C ATOM 969 C PHE A 84 70.578 42.535 -20.257 1.00 0.00 C ATOM 970 O PHE A 84 70.421 43.746 -20.378 1.00 0.00 O ATOM 971 CB PHE A 84 70.336 40.941 -22.195 1.00 0.00 C ATOM 972 CG PHE A 84 69.420 41.788 -23.064 1.00 0.00 C ATOM 973 CD1 PHE A 84 69.969 42.733 -23.954 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.024 41.612 -23.020 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.145 43.455 -24.827 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.190 42.364 -23.871 1.00 0.00 C ATOM 977 CZ PHE A 84 67.751 43.279 -24.781 1.00 0.00 C ATOM 0 H PHE A 84 72.203 39.892 -20.974 1.00 0.00 H new ATOM 0 HA PHE A 84 71.812 42.505 -21.976 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.898 40.259 -22.833 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.726 40.328 -21.532 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.036 42.902 -23.963 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.592 40.900 -22.333 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.580 44.146 -25.534 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.118 42.238 -23.825 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.112 43.845 -25.443 1.00 0.00 H new ATOM 987 N ASN A 85 70.145 41.868 -19.183 1.00 0.00 N ATOM 988 CA ASN A 85 69.360 42.483 -18.113 1.00 0.00 C ATOM 989 C ASN A 85 70.190 43.474 -17.277 1.00 0.00 C ATOM 990 O ASN A 85 69.736 44.591 -17.009 1.00 0.00 O ATOM 991 CB ASN A 85 68.749 41.365 -17.251 1.00 0.00 C ATOM 992 CG ASN A 85 67.859 41.928 -16.154 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.727 42.323 -16.387 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.338 42.001 -14.930 1.00 0.00 N ATOM 0 H ASN A 85 70.332 40.877 -19.032 1.00 0.00 H new ATOM 0 HA ASN A 85 68.559 43.077 -18.552 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.168 40.694 -17.883 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.547 40.772 -16.805 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.764 42.386 -14.180 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.283 41.672 -14.732 1.00 0.00 H new ATOM 1001 N GLU A 86 71.417 43.095 -16.895 1.00 0.00 N ATOM 1002 CA GLU A 86 72.301 44.014 -16.178 1.00 0.00 C ATOM 1003 C GLU A 86 72.705 45.189 -17.071 1.00 0.00 C ATOM 1004 O GLU A 86 72.594 46.325 -16.618 1.00 0.00 O ATOM 1005 CB GLU A 86 73.522 43.297 -15.576 1.00 0.00 C ATOM 1006 CG GLU A 86 74.385 44.307 -14.800 1.00 0.00 C ATOM 1007 CD GLU A 86 75.422 43.678 -13.850 1.00 0.00 C ATOM 1008 OE1 GLU A 86 75.932 42.561 -14.113 1.00 0.00 O ATOM 1009 OE2 GLU A 86 75.755 44.345 -12.838 1.00 0.00 O ATOM 0 H GLU A 86 71.813 42.171 -17.069 1.00 0.00 H new ATOM 0 HA GLU A 86 71.741 44.417 -15.334 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.195 42.497 -14.912 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.111 42.833 -16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 86 74.907 44.942 -15.516 1.00 0.00 H new ATOM 0 HG3 GLU A 86 73.728 44.954 -14.220 1.00 0.00 H new ATOM 1016 N TRP A 87 73.086 44.968 -18.339 1.00 0.00 N ATOM 1017 CA TRP A 87 73.335 46.087 -19.242 1.00 0.00 C ATOM 1018 C TRP A 87 72.100 46.977 -19.389 1.00 0.00 C ATOM 1019 O TRP A 87 72.246 48.178 -19.240 1.00 0.00 O ATOM 1020 CB TRP A 87 73.803 45.592 -20.604 1.00 0.00 C ATOM 1021 CG TRP A 87 73.855 46.644 -21.664 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.831 47.559 -21.864 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.900 46.842 -22.743 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.540 48.306 -22.987 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.373 47.887 -23.587 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.729 46.168 -23.143 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.751 48.212 -24.800 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.093 46.500 -24.347 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.592 47.516 -25.180 1.00 0.00 C ATOM 0 H TRP A 87 73.224 44.044 -18.749 1.00 0.00 H new ATOM 0 HA TRP A 87 74.129 46.690 -18.802 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.796 45.155 -20.496 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.138 44.794 -20.934 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.704 47.685 -21.241 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.118 49.073 -23.330 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.318 45.390 -22.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.157 48.987 -25.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.202 45.965 -24.640 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.089 47.759 -26.104 1.00 0.00 H new ATOM 1040 N GLU A 88 70.895 46.442 -19.592 1.00 0.00 N ATOM 1041 CA GLU A 88 69.670 47.245 -19.685 1.00 0.00 C ATOM 1042 C GLU A 88 69.454 48.148 -18.455 1.00 0.00 C ATOM 1043 O GLU A 88 69.193 49.341 -18.623 1.00 0.00 O ATOM 1044 CB GLU A 88 68.450 46.333 -19.893 1.00 0.00 C ATOM 1045 CG GLU A 88 68.203 45.955 -21.359 1.00 0.00 C ATOM 1046 CD GLU A 88 67.442 47.074 -22.102 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.063 48.079 -22.526 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.200 46.961 -22.260 1.00 0.00 O ATOM 0 H GLU A 88 70.738 45.440 -19.697 1.00 0.00 H new ATOM 0 HA GLU A 88 69.788 47.903 -20.546 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.586 45.422 -19.310 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.564 46.833 -19.502 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.156 45.768 -21.855 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.631 45.028 -21.407 1.00 0.00 H new ATOM 1055 N GLU A 89 69.613 47.639 -17.226 1.00 0.00 N ATOM 1056 CA GLU A 89 69.479 48.467 -16.012 1.00 0.00 C ATOM 1057 C GLU A 89 70.616 49.502 -15.866 1.00 0.00 C ATOM 1058 O GLU A 89 70.373 50.711 -15.726 1.00 0.00 O ATOM 1059 CB GLU A 89 69.422 47.567 -14.764 1.00 0.00 C ATOM 1060 CG GLU A 89 68.136 46.737 -14.662 1.00 0.00 C ATOM 1061 CD GLU A 89 66.900 47.626 -14.413 1.00 0.00 C ATOM 1062 OE1 GLU A 89 66.681 48.054 -13.253 1.00 0.00 O ATOM 1063 OE2 GLU A 89 66.134 47.902 -15.368 1.00 0.00 O ATOM 0 H GLU A 89 69.834 46.660 -17.043 1.00 0.00 H new ATOM 0 HA GLU A 89 68.549 49.027 -16.109 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.279 46.894 -14.773 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.514 48.189 -13.874 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.996 46.169 -15.582 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.233 46.014 -13.852 1.00 0.00 H new ATOM 1070 N ARG A 90 71.873 49.040 -15.947 1.00 0.00 N ATOM 1071 CA ARG A 90 73.063 49.902 -15.844 1.00 0.00 C ATOM 1072 C ARG A 90 73.015 50.997 -16.902 1.00 0.00 C ATOM 1073 O ARG A 90 73.208 52.158 -16.580 1.00 0.00 O ATOM 1074 CB ARG A 90 74.349 49.084 -16.033 1.00 0.00 C ATOM 1075 CG ARG A 90 74.594 48.004 -14.978 1.00 0.00 C ATOM 1076 CD ARG A 90 75.144 48.516 -13.645 1.00 0.00 C ATOM 1077 NE ARG A 90 75.496 47.381 -12.767 1.00 0.00 N ATOM 1078 CZ ARG A 90 75.936 47.423 -11.525 1.00 0.00 C ATOM 1079 NH1 ARG A 90 76.099 48.540 -10.869 1.00 0.00 N ATOM 1080 NH2 ARG A 90 76.221 46.305 -10.930 1.00 0.00 N ATOM 0 H ARG A 90 72.095 48.054 -16.086 1.00 0.00 H new ATOM 0 HA ARG A 90 73.065 50.349 -14.850 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.319 48.611 -17.014 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.198 49.767 -16.035 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.656 47.481 -14.790 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.291 47.272 -15.384 1.00 0.00 H new ATOM 0 HD2 ARG A 90 76.023 49.136 -13.820 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.402 49.147 -13.156 1.00 0.00 H new ATOM 0 HE ARG A 90 75.385 46.451 -13.171 1.00 0.00 H new ATOM 0 HH11 ARG A 90 75.883 49.431 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 90 76.442 48.522 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 90 76.103 45.420 -11.423 1.00 0.00 H new ATOM 0 HH22 ARG A 90 76.563 46.311 -9.969 1.00 0.00 H new ATOM 1094 N LYS A 91 72.680 50.644 -18.143 1.00 0.00 N ATOM 1095 CA LYS A 91 72.547 51.558 -19.294 1.00 0.00 C ATOM 1096 C LYS A 91 71.326 52.475 -19.206 1.00 0.00 C ATOM 1097 O LYS A 91 71.413 53.611 -19.665 1.00 0.00 O ATOM 1098 CB LYS A 91 72.566 50.752 -20.611 1.00 0.00 C ATOM 1099 CG LYS A 91 72.725 51.558 -21.913 1.00 0.00 C ATOM 1100 CD LYS A 91 71.388 51.852 -22.614 1.00 0.00 C ATOM 1101 CE LYS A 91 71.635 52.515 -23.978 1.00 0.00 C ATOM 1102 NZ LYS A 91 70.361 52.765 -24.712 1.00 0.00 N ATOM 0 H LYS A 91 72.484 49.674 -18.392 1.00 0.00 H new ATOM 0 HA LYS A 91 73.407 52.228 -19.275 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.381 50.030 -20.556 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.639 50.182 -20.675 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.225 52.500 -21.690 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.372 51.008 -22.596 1.00 0.00 H new ATOM 0 HD2 LYS A 91 70.829 50.926 -22.748 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.778 52.505 -21.990 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.162 53.458 -23.833 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.282 51.877 -24.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.570 53.213 -25.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 69.870 51.862 -24.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 69.754 53.394 -24.149 1.00 0.00 H new ATOM 1116 N LYS A 92 70.223 52.071 -18.558 1.00 0.00 N ATOM 1117 CA LYS A 92 69.145 53.000 -18.174 1.00 0.00 C ATOM 1118 C LYS A 92 69.670 54.087 -17.219 1.00 0.00 C ATOM 1119 O LYS A 92 69.278 55.247 -17.358 1.00 0.00 O ATOM 1120 CB LYS A 92 67.957 52.211 -17.594 1.00 0.00 C ATOM 1121 CG LYS A 92 66.729 53.098 -17.353 1.00 0.00 C ATOM 1122 CD LYS A 92 65.533 52.260 -16.871 1.00 0.00 C ATOM 1123 CE LYS A 92 64.242 53.084 -16.730 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.290 54.053 -15.597 1.00 0.00 N ATOM 0 H LYS A 92 70.052 51.103 -18.287 1.00 0.00 H new ATOM 0 HA LYS A 92 68.784 53.524 -19.059 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.691 51.405 -18.278 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.257 51.747 -16.655 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.966 53.861 -16.611 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.466 53.619 -18.273 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.362 51.443 -17.572 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.776 51.808 -15.909 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.061 53.627 -17.658 1.00 0.00 H new ATOM 0 HE3 LYS A 92 63.399 52.407 -16.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 63.394 54.579 -15.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 64.435 53.538 -14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 65.075 54.719 -15.743 1.00 0.00 H new ATOM 1138 N SER A 93 70.613 53.750 -16.332 1.00 0.00 N ATOM 1139 CA SER A 93 71.378 54.761 -15.564 1.00 0.00 C ATOM 1140 C SER A 93 72.550 55.427 -16.332 1.00 0.00 C ATOM 1141 O SER A 93 72.952 56.538 -15.983 1.00 0.00 O ATOM 1142 CB SER A 93 71.895 54.161 -14.250 1.00 0.00 C ATOM 1143 OG SER A 93 70.808 53.733 -13.437 1.00 0.00 O ATOM 0 H SER A 93 70.871 52.786 -16.122 1.00 0.00 H new ATOM 0 HA SER A 93 70.663 55.560 -15.370 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.553 53.318 -14.462 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.489 54.901 -13.714 1.00 0.00 H new ATOM 0 HG SER A 93 71.154 53.351 -12.603 1.00 0.00 H new ATOM 1149 N GLU A 94 73.098 54.781 -17.366 1.00 0.00 N ATOM 1150 CA GLU A 94 74.359 55.120 -18.055 1.00 0.00 C ATOM 1151 C GLU A 94 74.243 54.939 -19.589 1.00 0.00 C ATOM 1152 O GLU A 94 74.760 53.957 -20.133 1.00 0.00 O ATOM 1153 CB GLU A 94 75.511 54.237 -17.519 1.00 0.00 C ATOM 1154 CG GLU A 94 75.738 54.349 -16.012 1.00 0.00 C ATOM 1155 CD GLU A 94 77.011 53.584 -15.593 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.122 54.169 -15.645 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.913 52.400 -15.185 1.00 0.00 O ATOM 0 H GLU A 94 72.652 53.959 -17.772 1.00 0.00 H new ATOM 0 HA GLU A 94 74.570 56.170 -17.852 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.302 53.196 -17.767 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.432 54.509 -18.035 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.829 55.398 -15.730 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.876 53.949 -15.479 1.00 0.00 H new ATOM 1164 N PRO A 95 73.571 55.843 -20.328 1.00 0.00 N ATOM 1165 CA PRO A 95 73.175 55.628 -21.732 1.00 0.00 C ATOM 1166 C PRO A 95 74.320 55.405 -22.748 1.00 0.00 C ATOM 1167 O PRO A 95 74.058 55.072 -23.905 1.00 0.00 O ATOM 1168 CB PRO A 95 72.295 56.834 -22.096 1.00 0.00 C ATOM 1169 CG PRO A 95 72.668 57.901 -21.068 1.00 0.00 C ATOM 1170 CD PRO A 95 72.974 57.070 -19.826 1.00 0.00 C ATOM 0 HA PRO A 95 72.648 54.677 -21.803 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.490 57.176 -23.112 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.236 56.583 -22.042 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.530 58.487 -21.386 1.00 0.00 H new ATOM 0 HG3 PRO A 95 71.851 58.602 -20.896 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.656 57.596 -19.158 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.068 56.863 -19.257 1.00 0.00 H new ATOM 1178 N TRP A 96 75.579 55.545 -22.327 1.00 0.00 N ATOM 1179 CA TRP A 96 76.797 55.278 -23.102 1.00 0.00 C ATOM 1180 C TRP A 96 77.300 53.815 -23.044 1.00 0.00 C ATOM 1181 O TRP A 96 78.241 53.475 -23.766 1.00 0.00 O ATOM 1182 CB TRP A 96 77.879 56.247 -22.599 1.00 0.00 C ATOM 1183 CG TRP A 96 78.115 56.222 -21.115 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.949 55.382 -20.460 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.490 57.048 -20.082 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.887 55.631 -19.101 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.000 56.647 -18.810 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.536 58.090 -20.091 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.582 57.243 -17.611 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.113 58.698 -18.892 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.629 58.275 -17.654 1.00 0.00 C ATOM 0 H TRP A 96 75.790 55.866 -21.382 1.00 0.00 H new ATOM 0 HA TRP A 96 76.562 55.435 -24.155 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.816 56.015 -23.105 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.602 57.260 -22.890 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.569 54.631 -20.927 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.430 55.126 -18.400 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.124 58.426 -21.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.988 56.913 -16.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.386 59.496 -18.924 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.294 58.742 -16.739 1.00 0.00 H new ATOM 1202 N LEU A 97 76.731 52.946 -22.194 1.00 0.00 N ATOM 1203 CA LEU A 97 77.275 51.620 -21.891 1.00 0.00 C ATOM 1204 C LEU A 97 77.280 50.652 -23.094 1.00 0.00 C ATOM 1205 O LEU A 97 76.280 50.512 -23.805 1.00 0.00 O ATOM 1206 CB LEU A 97 76.470 51.035 -20.718 1.00 0.00 C ATOM 1207 CG LEU A 97 77.149 49.863 -20.005 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.452 50.252 -19.302 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.203 49.306 -18.945 1.00 0.00 C ATOM 0 H LEU A 97 75.867 53.151 -21.692 1.00 0.00 H new ATOM 0 HA LEU A 97 78.326 51.740 -21.628 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.282 51.826 -19.992 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.499 50.706 -21.088 1.00 0.00 H new ATOM 0 HG LEU A 97 77.387 49.130 -20.776 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.880 49.374 -18.818 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.158 50.643 -20.035 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.247 51.016 -18.552 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.681 48.471 -18.433 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.966 50.087 -18.222 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.285 48.962 -19.421 1.00 0.00 H new ATOM 1221 N ARG A 98 78.387 49.917 -23.272 1.00 0.00 N ATOM 1222 CA ARG A 98 78.578 48.924 -24.349 1.00 0.00 C ATOM 1223 C ARG A 98 77.976 47.549 -24.015 1.00 0.00 C ATOM 1224 O ARG A 98 77.828 47.195 -22.846 1.00 0.00 O ATOM 1225 CB ARG A 98 80.075 48.793 -24.681 1.00 0.00 C ATOM 1226 CG ARG A 98 80.699 50.105 -25.186 1.00 0.00 C ATOM 1227 CD ARG A 98 82.171 49.899 -25.569 1.00 0.00 C ATOM 1228 NE ARG A 98 82.787 51.161 -26.030 1.00 0.00 N ATOM 1229 CZ ARG A 98 83.433 52.060 -25.306 1.00 0.00 C ATOM 1230 NH1 ARG A 98 83.608 51.930 -24.019 1.00 0.00 N ATOM 1231 NH2 ARG A 98 83.924 53.126 -25.872 1.00 0.00 N ATOM 0 H ARG A 98 79.197 49.996 -22.657 1.00 0.00 H new ATOM 0 HA ARG A 98 78.038 49.291 -25.222 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.611 48.462 -23.791 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.207 48.020 -25.438 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.142 50.469 -26.049 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.624 50.870 -24.413 1.00 0.00 H new ATOM 0 HD2 ARG A 98 82.722 49.515 -24.711 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.243 49.148 -26.356 1.00 0.00 H new ATOM 0 HE ARG A 98 82.704 51.363 -27.026 1.00 0.00 H new ATOM 0 HH11 ARG A 98 83.240 51.111 -23.534 1.00 0.00 H new ATOM 0 HH12 ARG A 98 84.112 52.647 -23.498 1.00 0.00 H new ATOM 0 HH21 ARG A 98 83.811 53.269 -26.876 1.00 0.00 H new ATOM 0 HH22 ARG A 98 84.422 53.818 -25.311 1.00 0.00 H new ATOM 1245 N LEU A 99 77.659 46.777 -25.059 1.00 0.00 N ATOM 1246 CA LEU A 99 76.975 45.477 -25.012 1.00 0.00 C ATOM 1247 C LEU A 99 77.630 44.505 -26.012 1.00 0.00 C ATOM 1248 O LEU A 99 77.777 44.836 -27.190 1.00 0.00 O ATOM 1249 CB LEU A 99 75.498 45.756 -25.345 1.00 0.00 C ATOM 1250 CG LEU A 99 74.447 44.631 -25.268 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.554 43.698 -26.478 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.463 43.876 -23.940 1.00 0.00 C ATOM 0 H LEU A 99 77.885 47.056 -26.014 1.00 0.00 H new ATOM 0 HA LEU A 99 77.050 45.003 -24.033 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.164 46.552 -24.680 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.468 46.154 -26.359 1.00 0.00 H new ATOM 0 HG LEU A 99 73.469 45.110 -25.306 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.802 42.913 -26.400 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.390 44.268 -27.393 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.547 43.248 -26.504 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.699 43.099 -23.954 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.442 43.420 -23.793 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.260 44.570 -23.124 1.00 0.00 H new ATOM 1264 N ASP A 100 78.006 43.305 -25.558 1.00 0.00 N ATOM 1265 CA ASP A 100 78.535 42.227 -26.412 1.00 0.00 C ATOM 1266 C ASP A 100 78.110 40.846 -25.878 1.00 0.00 C ATOM 1267 O ASP A 100 78.129 40.616 -24.667 1.00 0.00 O ATOM 1268 CB ASP A 100 80.065 42.338 -26.516 1.00 0.00 C ATOM 1269 CG ASP A 100 80.618 41.496 -27.681 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.577 40.246 -27.604 1.00 0.00 O ATOM 1271 OD2 ASP A 100 81.077 42.088 -28.689 1.00 0.00 O ATOM 0 H ASP A 100 77.952 43.048 -24.572 1.00 0.00 H new ATOM 0 HA ASP A 100 78.115 42.335 -27.412 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.346 43.382 -26.656 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.518 42.008 -25.581 1.00 0.00 H new ATOM 1276 N MET A 101 77.704 39.938 -26.775 1.00 0.00 N ATOM 1277 CA MET A 101 77.170 38.606 -26.440 1.00 0.00 C ATOM 1278 C MET A 101 77.903 37.449 -27.146 1.00 0.00 C ATOM 1279 O MET A 101 77.418 36.313 -27.124 1.00 0.00 O ATOM 1280 CB MET A 101 75.656 38.583 -26.718 1.00 0.00 C ATOM 1281 CG MET A 101 74.892 39.591 -25.851 1.00 0.00 C ATOM 1282 SD MET A 101 73.122 39.644 -26.217 1.00 0.00 S ATOM 1283 CE MET A 101 72.597 40.898 -25.022 1.00 0.00 C ATOM 0 H MET A 101 77.738 40.111 -27.780 1.00 0.00 H new ATOM 0 HA MET A 101 77.348 38.437 -25.378 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.478 38.804 -27.771 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.270 37.581 -26.533 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.032 39.337 -24.800 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.317 40.584 -25.998 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.730 40.534 -24.470 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.411 41.101 -24.326 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.333 41.815 -25.549 1.00 0.00 H new ATOM 1293 N SER A 102 79.062 37.702 -27.764 1.00 0.00 N ATOM 1294 CA SER A 102 79.916 36.648 -28.333 1.00 0.00 C ATOM 1295 C SER A 102 80.380 35.687 -27.236 1.00 0.00 C ATOM 1296 O SER A 102 80.646 36.109 -26.112 1.00 0.00 O ATOM 1297 CB SER A 102 81.123 37.268 -29.045 1.00 0.00 C ATOM 1298 OG SER A 102 81.897 36.253 -29.669 1.00 0.00 O ATOM 0 H SER A 102 79.436 38.643 -27.885 1.00 0.00 H new ATOM 0 HA SER A 102 79.334 36.085 -29.062 1.00 0.00 H new ATOM 0 HB2 SER A 102 80.785 37.988 -29.790 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.736 37.815 -28.329 1.00 0.00 H new ATOM 0 HG SER A 102 82.665 36.659 -30.123 1.00 0.00 H new ATOM 1304 N ASP A 103 80.496 34.389 -27.529 1.00 0.00 N ATOM 1305 CA ASP A 103 80.778 33.369 -26.506 1.00 0.00 C ATOM 1306 C ASP A 103 82.113 33.586 -25.775 1.00 0.00 C ATOM 1307 O ASP A 103 82.222 33.248 -24.597 1.00 0.00 O ATOM 1308 CB ASP A 103 80.697 31.973 -27.128 1.00 0.00 C ATOM 1309 CG ASP A 103 79.250 31.633 -27.500 1.00 0.00 C ATOM 1310 OD1 ASP A 103 78.421 31.429 -26.586 1.00 0.00 O ATOM 1311 OD2 ASP A 103 78.920 31.560 -28.706 1.00 0.00 O ATOM 0 H ASP A 103 80.399 34.014 -28.473 1.00 0.00 H new ATOM 0 HA ASP A 103 80.012 33.465 -25.737 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.327 31.927 -28.016 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.081 31.233 -26.426 1.00 0.00 H new ATOM 1316 N LYS A 104 83.078 34.272 -26.404 1.00 0.00 N ATOM 1317 CA LYS A 104 84.315 34.740 -25.754 1.00 0.00 C ATOM 1318 C LYS A 104 84.040 35.622 -24.527 1.00 0.00 C ATOM 1319 O LYS A 104 84.708 35.459 -23.510 1.00 0.00 O ATOM 1320 CB LYS A 104 85.192 35.482 -26.778 1.00 0.00 C ATOM 1321 CG LYS A 104 85.718 34.543 -27.877 1.00 0.00 C ATOM 1322 CD LYS A 104 86.649 35.291 -28.841 1.00 0.00 C ATOM 1323 CE LYS A 104 87.169 34.337 -29.925 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.087 35.028 -30.874 1.00 0.00 N ATOM 0 H LYS A 104 83.023 34.522 -27.391 1.00 0.00 H new ATOM 0 HA LYS A 104 84.848 33.862 -25.389 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.614 36.286 -27.234 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.034 35.946 -26.265 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.253 33.709 -27.422 1.00 0.00 H new ATOM 0 HG3 LYS A 104 84.880 34.120 -28.430 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.115 36.121 -29.303 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.487 35.718 -28.290 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.691 33.503 -29.456 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.327 33.917 -30.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 88.418 34.352 -31.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 87.581 35.808 -31.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 88.904 35.407 -30.353 1.00 0.00 H new ATOM 1338 N ALA A 105 83.021 36.486 -24.574 1.00 0.00 N ATOM 1339 CA ALA A 105 82.578 37.286 -23.428 1.00 0.00 C ATOM 1340 C ALA A 105 82.034 36.411 -22.291 1.00 0.00 C ATOM 1341 O ALA A 105 82.322 36.656 -21.122 1.00 0.00 O ATOM 1342 CB ALA A 105 81.556 38.331 -23.900 1.00 0.00 C ATOM 0 H ALA A 105 82.474 36.651 -25.419 1.00 0.00 H new ATOM 0 HA ALA A 105 83.439 37.808 -23.011 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.225 38.927 -23.049 1.00 0.00 H new ATOM 0 HB2 ALA A 105 82.018 38.983 -24.642 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.698 37.826 -24.345 1.00 0.00 H new ATOM 1348 N ILE A 106 81.307 35.346 -22.632 1.00 0.00 N ATOM 1349 CA ILE A 106 80.706 34.423 -21.662 1.00 0.00 C ATOM 1350 C ILE A 106 81.810 33.604 -20.988 1.00 0.00 C ATOM 1351 O ILE A 106 81.855 33.556 -19.764 1.00 0.00 O ATOM 1352 CB ILE A 106 79.604 33.569 -22.337 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.314 34.386 -22.584 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.220 32.343 -21.487 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.444 35.592 -23.527 1.00 0.00 C ATOM 0 H ILE A 106 81.115 35.095 -23.602 1.00 0.00 H new ATOM 0 HA ILE A 106 80.200 34.975 -20.870 1.00 0.00 H new ATOM 0 HB ILE A 106 80.030 33.244 -23.286 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.556 33.715 -22.988 1.00 0.00 H new ATOM 0 HG13 ILE A 106 77.944 34.742 -21.622 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.444 31.774 -21.999 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.097 31.712 -21.341 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.847 32.675 -20.518 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.477 36.085 -23.622 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.171 36.295 -23.121 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.777 35.253 -24.508 1.00 0.00 H new ATOM 1367 N PHE A 107 82.759 33.060 -21.754 1.00 0.00 N ATOM 1368 CA PHE A 107 83.929 32.356 -21.207 1.00 0.00 C ATOM 1369 C PHE A 107 84.770 33.253 -20.283 1.00 0.00 C ATOM 1370 O PHE A 107 85.166 32.834 -19.195 1.00 0.00 O ATOM 1371 CB PHE A 107 84.840 31.866 -22.344 1.00 0.00 C ATOM 1372 CG PHE A 107 84.223 31.057 -23.470 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.094 30.236 -23.275 1.00 0.00 C ATOM 1374 CD2 PHE A 107 84.826 31.123 -24.739 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.573 29.490 -24.347 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.307 30.375 -25.811 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.182 29.556 -25.613 1.00 0.00 C ATOM 0 H PHE A 107 82.741 33.094 -22.773 1.00 0.00 H new ATOM 0 HA PHE A 107 83.540 31.517 -20.630 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.316 32.741 -22.787 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.631 31.263 -21.898 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.629 30.180 -22.302 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.691 31.751 -24.891 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.704 28.866 -24.198 1.00 0.00 H new ATOM 0 HE2 PHE A 107 84.772 30.430 -26.784 1.00 0.00 H new ATOM 0 HZ PHE A 107 82.785 28.977 -26.434 1.00 0.00 H new ATOM 1387 N ARG A 108 85.048 34.494 -20.711 1.00 0.00 N ATOM 1388 CA ARG A 108 85.943 35.425 -20.018 1.00 0.00 C ATOM 1389 C ARG A 108 85.319 36.043 -18.762 1.00 0.00 C ATOM 1390 O ARG A 108 86.054 36.339 -17.819 1.00 0.00 O ATOM 1391 CB ARG A 108 86.426 36.441 -21.070 1.00 0.00 C ATOM 1392 CG ARG A 108 87.626 37.274 -20.609 1.00 0.00 C ATOM 1393 CD ARG A 108 87.248 38.576 -19.883 1.00 0.00 C ATOM 1394 NE ARG A 108 88.420 39.170 -19.211 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.887 38.889 -18.004 1.00 0.00 C ATOM 1396 NH1 ARG A 108 88.344 37.996 -17.224 1.00 0.00 N ATOM 1397 NH2 ARG A 108 89.937 39.513 -17.552 1.00 0.00 N ATOM 0 H ARG A 108 84.648 34.883 -21.565 1.00 0.00 H new ATOM 0 HA ARG A 108 86.806 34.901 -19.606 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.693 35.908 -21.983 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.604 37.111 -21.321 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.242 36.667 -19.946 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.238 37.520 -21.477 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.836 39.288 -20.598 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.468 38.373 -19.149 1.00 0.00 H new ATOM 0 HE ARG A 108 88.930 39.880 -19.737 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.522 37.478 -17.536 1.00 0.00 H new ATOM 0 HH12 ARG A 108 88.741 37.815 -16.302 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.399 40.217 -18.127 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.298 39.297 -16.623 1.00 0.00 H new ATOM 1411 N ARG A 109 83.990 36.204 -18.717 1.00 0.00 N ATOM 1412 CA ARG A 109 83.241 36.572 -17.497 1.00 0.00 C ATOM 1413 C ARG A 109 83.027 35.376 -16.560 1.00 0.00 C ATOM 1414 O ARG A 109 83.126 35.527 -15.342 1.00 0.00 O ATOM 1415 CB ARG A 109 81.883 37.184 -17.883 1.00 0.00 C ATOM 1416 CG ARG A 109 82.023 38.581 -18.505 1.00 0.00 C ATOM 1417 CD ARG A 109 80.660 39.095 -18.988 1.00 0.00 C ATOM 1418 NE ARG A 109 80.774 40.449 -19.570 1.00 0.00 N ATOM 1419 CZ ARG A 109 80.744 41.609 -18.933 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.584 41.692 -17.643 1.00 0.00 N ATOM 1421 NH2 ARG A 109 80.881 42.722 -19.594 1.00 0.00 N ATOM 0 H ARG A 109 83.392 36.082 -19.535 1.00 0.00 H new ATOM 0 HA ARG A 109 83.840 37.305 -16.956 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.378 36.524 -18.589 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.251 37.246 -16.997 1.00 0.00 H new ATOM 0 HG2 ARG A 109 82.439 39.272 -17.772 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.721 38.545 -19.341 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.253 38.410 -19.732 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.959 39.113 -18.154 1.00 0.00 H new ATOM 0 HE ARG A 109 80.889 40.495 -20.582 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.476 40.844 -17.087 1.00 0.00 H new ATOM 0 HH12 ARG A 109 80.566 42.605 -17.189 1.00 0.00 H new ATOM 0 HH21 ARG A 109 81.012 42.702 -20.605 1.00 0.00 H new ATOM 0 HH22 ARG A 109 80.857 43.614 -19.101 1.00 0.00 H new ATOM 1435 N TYR A 110 82.754 34.201 -17.132 1.00 0.00 N ATOM 1436 CA TYR A 110 82.289 32.999 -16.434 1.00 0.00 C ATOM 1437 C TYR A 110 83.127 31.766 -16.844 1.00 0.00 C ATOM 1438 O TYR A 110 82.724 30.997 -17.725 1.00 0.00 O ATOM 1439 CB TYR A 110 80.785 32.824 -16.714 1.00 0.00 C ATOM 1440 CG TYR A 110 79.949 34.076 -16.522 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.839 34.662 -15.247 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.319 34.678 -17.629 1.00 0.00 C ATOM 1443 CE1 TYR A 110 79.103 35.853 -15.087 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.570 35.861 -17.468 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.461 36.452 -16.190 1.00 0.00 C ATOM 1446 OH TYR A 110 77.745 37.598 -16.015 1.00 0.00 O ATOM 0 H TYR A 110 82.855 34.055 -18.136 1.00 0.00 H new ATOM 0 HA TYR A 110 82.426 33.105 -15.358 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.659 32.475 -17.739 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.397 32.042 -16.061 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.317 34.201 -14.395 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.411 34.230 -18.607 1.00 0.00 H new ATOM 0 HE1 TYR A 110 79.030 36.311 -14.111 1.00 0.00 H new ATOM 0 HE2 TYR A 110 78.082 36.314 -18.318 1.00 0.00 H new ATOM 0 HH TYR A 110 77.367 37.882 -16.873 1.00 0.00 H new ATOM 1456 N PRO A 111 84.308 31.547 -16.228 1.00 0.00 N ATOM 1457 CA PRO A 111 85.268 30.528 -16.674 1.00 0.00 C ATOM 1458 C PRO A 111 84.784 29.079 -16.485 1.00 0.00 C ATOM 1459 O PRO A 111 85.333 28.165 -17.104 1.00 0.00 O ATOM 1460 CB PRO A 111 86.554 30.817 -15.889 1.00 0.00 C ATOM 1461 CG PRO A 111 86.055 31.502 -14.618 1.00 0.00 C ATOM 1462 CD PRO A 111 84.866 32.315 -15.123 1.00 0.00 C ATOM 0 HA PRO A 111 85.417 30.596 -17.752 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.100 29.901 -15.663 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.231 31.460 -16.451 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.758 30.779 -13.858 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.821 32.137 -14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.128 32.461 -14.335 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.180 33.305 -15.453 1.00 0.00 H new ATOM 1470 N HIS A 112 83.737 28.856 -15.679 1.00 0.00 N ATOM 1471 CA HIS A 112 83.086 27.548 -15.517 1.00 0.00 C ATOM 1472 C HIS A 112 82.214 27.149 -16.725 1.00 0.00 C ATOM 1473 O HIS A 112 81.943 25.962 -16.922 1.00 0.00 O ATOM 1474 CB HIS A 112 82.239 27.581 -14.237 1.00 0.00 C ATOM 1475 CG HIS A 112 80.920 28.299 -14.404 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.757 29.648 -14.745 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.698 27.695 -14.379 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.431 29.822 -14.896 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.779 28.672 -14.682 1.00 0.00 N ATOM 0 H HIS A 112 83.312 29.590 -15.113 1.00 0.00 H new ATOM 0 HA HIS A 112 83.868 26.791 -15.448 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.048 26.559 -13.911 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.810 28.067 -13.446 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.493 26.657 -14.164 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.959 30.758 -15.154 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.769 28.542 -14.735 1.00 0.00 H new ATOM 1487 N LEU A 113 81.760 28.127 -17.521 1.00 0.00 N ATOM 1488 CA LEU A 113 80.787 27.959 -18.595 1.00 0.00 C ATOM 1489 C LEU A 113 81.426 27.418 -19.899 1.00 0.00 C ATOM 1490 O LEU A 113 80.745 26.760 -20.693 1.00 0.00 O ATOM 1491 CB LEU A 113 80.097 29.335 -18.770 1.00 0.00 C ATOM 1492 CG LEU A 113 78.585 29.336 -19.052 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.252 28.536 -20.302 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.767 28.834 -17.871 1.00 0.00 C ATOM 0 H LEU A 113 82.076 29.092 -17.426 1.00 0.00 H new ATOM 0 HA LEU A 113 80.049 27.198 -18.341 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.272 29.917 -17.865 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.593 29.859 -19.587 1.00 0.00 H new ATOM 0 HG LEU A 113 78.310 30.377 -19.219 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.176 28.558 -20.472 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.763 28.972 -21.160 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.578 27.504 -20.171 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.708 28.857 -18.126 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.061 27.812 -17.633 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.945 29.474 -17.007 1.00 0.00 H new ATOM 1506 N ARG A 114 82.732 27.654 -20.112 1.00 0.00 N ATOM 1507 CA ARG A 114 83.493 27.164 -21.279 1.00 0.00 C ATOM 1508 C ARG A 114 83.615 25.628 -21.301 1.00 0.00 C ATOM 1509 O ARG A 114 84.051 25.031 -20.288 1.00 0.00 O ATOM 1510 CB ARG A 114 84.869 27.848 -21.345 1.00 0.00 C ATOM 1511 CG ARG A 114 85.570 27.565 -22.687 1.00 0.00 C ATOM 1512 CD ARG A 114 86.921 28.283 -22.816 1.00 0.00 C ATOM 1513 NE ARG A 114 87.919 27.775 -21.852 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.694 26.713 -21.985 1.00 0.00 C ATOM 1515 NH1 ARG A 114 88.666 25.954 -23.045 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.526 26.388 -21.040 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.286 25.020 -22.346 1.00 0.00 O ATOM 0 H ARG A 114 83.301 28.201 -19.466 1.00 0.00 H new ATOM 0 HA ARG A 114 82.933 27.433 -22.174 1.00 0.00 H new ATOM 0 HB2 ARG A 114 84.750 28.924 -21.214 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.493 27.494 -20.524 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.723 26.491 -22.792 1.00 0.00 H new ATOM 0 HG3 ARG A 114 84.919 27.876 -23.504 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.301 28.158 -23.830 1.00 0.00 H new ATOM 0 HD3 ARG A 114 86.778 29.352 -22.659 1.00 0.00 H new ATOM 0 HE ARG A 114 88.021 28.304 -20.986 1.00 0.00 H new ATOM 0 HH11 ARG A 114 88.029 26.171 -23.811 1.00 0.00 H new ATOM 0 HH12 ARG A 114 89.281 25.143 -23.108 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.582 26.953 -20.193 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.123 25.568 -21.146 1.00 0.00 H new