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 X(o=0.15,f=-0.019) USER MOD Set 1.2: A 112 HIS : no HD1:sc= 0.147 K(o=0.15,f=-3.6!) 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 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.403 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.561 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 -137:sc= -2.37 (180deg=-5.42!) 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 61.868 58.583 -88.240 1.00 0.00 N ATOM 172 CA SER A 28 61.197 59.186 -87.075 1.00 0.00 C ATOM 173 C SER A 28 60.021 58.319 -86.599 1.00 0.00 C ATOM 174 O SER A 28 59.338 57.690 -87.415 1.00 0.00 O ATOM 175 CB SER A 28 60.690 60.590 -87.430 1.00 0.00 C ATOM 176 OG SER A 28 60.211 61.251 -86.267 1.00 0.00 O ATOM 0 HA SER A 28 61.924 59.252 -86.266 1.00 0.00 H new ATOM 0 HB2 SER A 28 61.494 61.171 -87.881 1.00 0.00 H new ATOM 0 HB3 SER A 28 59.893 60.520 -88.171 1.00 0.00 H new ATOM 0 HG SER A 28 59.892 62.146 -86.507 1.00 0.00 H new ATOM 182 N VAL A 29 59.774 58.287 -85.283 1.00 0.00 N ATOM 183 CA VAL A 29 58.657 57.565 -84.637 1.00 0.00 C ATOM 184 C VAL A 29 58.058 58.429 -83.518 1.00 0.00 C ATOM 185 O VAL A 29 58.790 58.910 -82.648 1.00 0.00 O ATOM 186 CB VAL A 29 59.108 56.198 -84.069 1.00 0.00 C ATOM 187 CG1 VAL A 29 57.930 55.423 -83.460 1.00 0.00 C ATOM 188 CG2 VAL A 29 59.736 55.292 -85.139 1.00 0.00 C ATOM 0 H VAL A 29 60.363 58.778 -84.611 1.00 0.00 H new ATOM 0 HA VAL A 29 57.900 57.372 -85.397 1.00 0.00 H new ATOM 0 HB VAL A 29 59.850 56.439 -83.307 1.00 0.00 H new ATOM 0 HG11 VAL A 29 58.285 54.468 -83.071 1.00 0.00 H new ATOM 0 HG12 VAL A 29 57.492 56.005 -82.649 1.00 0.00 H new ATOM 0 HG13 VAL A 29 57.176 55.245 -84.227 1.00 0.00 H new ATOM 0 HG21 VAL A 29 60.034 54.347 -84.686 1.00 0.00 H new ATOM 0 HG22 VAL A 29 59.008 55.103 -85.928 1.00 0.00 H new ATOM 0 HG23 VAL A 29 60.612 55.783 -85.563 1.00 0.00 H new ATOM 198 N SER A 30 56.729 58.581 -83.518 1.00 0.00 N ATOM 199 CA SER A 30 55.964 59.339 -82.511 1.00 0.00 C ATOM 200 C SER A 30 54.653 58.627 -82.150 1.00 0.00 C ATOM 201 O SER A 30 53.927 58.163 -83.034 1.00 0.00 O ATOM 202 CB SER A 30 55.637 60.754 -83.017 1.00 0.00 C ATOM 203 OG SER A 30 56.819 61.514 -83.238 1.00 0.00 O ATOM 0 H SER A 30 56.135 58.170 -84.238 1.00 0.00 H new ATOM 0 HA SER A 30 56.591 59.405 -81.622 1.00 0.00 H new ATOM 0 HB2 SER A 30 55.067 60.688 -83.944 1.00 0.00 H new ATOM 0 HB3 SER A 30 55.005 61.265 -82.290 1.00 0.00 H new ATOM 0 HG SER A 30 56.578 62.407 -83.561 1.00 0.00 H new ATOM 209 N PHE A 31 54.336 58.563 -80.853 1.00 0.00 N ATOM 210 CA PHE A 31 53.092 57.995 -80.313 1.00 0.00 C ATOM 211 C PHE A 31 52.729 58.613 -78.946 1.00 0.00 C ATOM 212 O PHE A 31 53.606 59.073 -78.208 1.00 0.00 O ATOM 213 CB PHE A 31 53.240 56.466 -80.193 1.00 0.00 C ATOM 214 CG PHE A 31 51.988 55.757 -79.709 1.00 0.00 C ATOM 215 CD1 PHE A 31 50.890 55.595 -80.578 1.00 0.00 C ATOM 216 CD2 PHE A 31 51.893 55.303 -78.378 1.00 0.00 C ATOM 217 CE1 PHE A 31 49.708 54.988 -80.119 1.00 0.00 C ATOM 218 CE2 PHE A 31 50.710 54.698 -77.919 1.00 0.00 C ATOM 219 CZ PHE A 31 49.617 54.539 -78.789 1.00 0.00 C ATOM 0 H PHE A 31 54.957 58.916 -80.125 1.00 0.00 H new ATOM 0 HA PHE A 31 52.279 58.232 -80.999 1.00 0.00 H new ATOM 0 HB2 PHE A 31 53.520 56.062 -81.166 1.00 0.00 H new ATOM 0 HB3 PHE A 31 54.058 56.244 -79.508 1.00 0.00 H new ATOM 0 HD1 PHE A 31 50.957 55.938 -81.600 1.00 0.00 H new ATOM 0 HD2 PHE A 31 52.732 55.420 -77.708 1.00 0.00 H new ATOM 0 HE1 PHE A 31 48.869 54.866 -80.788 1.00 0.00 H new ATOM 0 HE2 PHE A 31 50.641 54.355 -76.897 1.00 0.00 H new ATOM 0 HZ PHE A 31 48.709 54.073 -78.437 1.00 0.00 H new ATOM 229 N GLY A 32 51.441 58.589 -78.591 1.00 0.00 N ATOM 230 CA GLY A 32 50.942 58.956 -77.261 1.00 0.00 C ATOM 231 C GLY A 32 49.448 58.654 -77.093 1.00 0.00 C ATOM 232 O GLY A 32 48.635 59.038 -77.937 1.00 0.00 O ATOM 0 H GLY A 32 50.700 58.308 -79.233 1.00 0.00 H new ATOM 0 HA2 GLY A 32 51.507 58.415 -76.502 1.00 0.00 H new ATOM 0 HA3 GLY A 32 51.116 60.018 -77.091 1.00 0.00 H new ATOM 236 N ALA A 33 49.092 57.970 -76.000 1.00 0.00 N ATOM 237 CA ALA A 33 47.713 57.608 -75.647 1.00 0.00 C ATOM 238 C ALA A 33 47.495 57.602 -74.109 1.00 0.00 C ATOM 239 O ALA A 33 47.207 56.547 -73.528 1.00 0.00 O ATOM 240 CB ALA A 33 47.388 56.263 -76.319 1.00 0.00 C ATOM 0 H ALA A 33 49.775 57.643 -75.316 1.00 0.00 H new ATOM 0 HA ALA A 33 47.015 58.358 -76.019 1.00 0.00 H new ATOM 0 HB1 ALA A 33 46.367 55.970 -76.073 1.00 0.00 H new ATOM 0 HB2 ALA A 33 47.486 56.363 -77.400 1.00 0.00 H new ATOM 0 HB3 ALA A 33 48.080 55.501 -75.961 1.00 0.00 H new ATOM 246 N PRO A 34 47.674 58.751 -73.419 1.00 0.00 N ATOM 247 CA PRO A 34 47.540 58.846 -71.963 1.00 0.00 C ATOM 248 C PRO A 34 46.090 58.641 -71.481 1.00 0.00 C ATOM 249 O PRO A 34 45.126 58.981 -72.175 1.00 0.00 O ATOM 250 CB PRO A 34 48.068 60.237 -71.598 1.00 0.00 C ATOM 251 CG PRO A 34 47.757 61.064 -72.844 1.00 0.00 C ATOM 252 CD PRO A 34 47.982 60.062 -73.976 1.00 0.00 C ATOM 0 HA PRO A 34 48.103 58.054 -71.469 1.00 0.00 H new ATOM 0 HB2 PRO A 34 47.571 60.637 -70.714 1.00 0.00 H new ATOM 0 HB3 PRO A 34 49.136 60.219 -71.383 1.00 0.00 H new ATOM 0 HG2 PRO A 34 46.735 61.442 -72.835 1.00 0.00 H new ATOM 0 HG3 PRO A 34 48.415 61.928 -72.931 1.00 0.00 H new ATOM 0 HD2 PRO A 34 47.339 60.285 -74.828 1.00 0.00 H new ATOM 0 HD3 PRO A 34 49.011 60.102 -74.334 1.00 0.00 H new ATOM 260 N SER A 35 45.941 58.108 -70.265 1.00 0.00 N ATOM 261 CA SER A 35 44.651 57.847 -69.601 1.00 0.00 C ATOM 262 C SER A 35 44.774 57.869 -68.062 1.00 0.00 C ATOM 263 O SER A 35 45.861 57.607 -67.530 1.00 0.00 O ATOM 264 CB SER A 35 44.081 56.495 -70.068 1.00 0.00 C ATOM 265 OG SER A 35 44.974 55.420 -69.800 1.00 0.00 O ATOM 0 H SER A 35 46.740 57.835 -69.692 1.00 0.00 H new ATOM 0 HA SER A 35 43.969 58.648 -69.885 1.00 0.00 H new ATOM 0 HB2 SER A 35 43.130 56.310 -69.568 1.00 0.00 H new ATOM 0 HB3 SER A 35 43.876 56.538 -71.138 1.00 0.00 H new ATOM 0 HG SER A 35 44.576 54.579 -70.109 1.00 0.00 H new ATOM 271 N PRO A 36 43.689 58.181 -67.320 1.00 0.00 N ATOM 272 CA PRO A 36 43.678 58.126 -65.856 1.00 0.00 C ATOM 273 C PRO A 36 43.734 56.680 -65.328 1.00 0.00 C ATOM 274 O PRO A 36 43.263 55.741 -65.978 1.00 0.00 O ATOM 275 CB PRO A 36 42.392 58.844 -65.433 1.00 0.00 C ATOM 276 CG PRO A 36 41.447 58.586 -66.608 1.00 0.00 C ATOM 277 CD PRO A 36 42.386 58.615 -67.814 1.00 0.00 C ATOM 0 HA PRO A 36 44.561 58.606 -65.434 1.00 0.00 H new ATOM 0 HB2 PRO A 36 41.995 58.443 -64.501 1.00 0.00 H new ATOM 0 HB3 PRO A 36 42.558 59.910 -65.276 1.00 0.00 H new ATOM 0 HG2 PRO A 36 40.939 57.626 -66.515 1.00 0.00 H new ATOM 0 HG3 PRO A 36 40.673 59.351 -66.680 1.00 0.00 H new ATOM 0 HD2 PRO A 36 42.028 57.954 -68.603 1.00 0.00 H new ATOM 0 HD3 PRO A 36 42.444 59.617 -68.239 1.00 0.00 H new ATOM 285 N LEU A 37 44.292 56.506 -64.124 1.00 0.00 N ATOM 286 CA LEU A 37 44.453 55.207 -63.455 1.00 0.00 C ATOM 287 C LEU A 37 44.330 55.340 -61.924 1.00 0.00 C ATOM 288 O LEU A 37 44.946 56.219 -61.318 1.00 0.00 O ATOM 289 CB LEU A 37 45.821 54.617 -63.864 1.00 0.00 C ATOM 290 CG LEU A 37 46.155 53.236 -63.265 1.00 0.00 C ATOM 291 CD1 LEU A 37 45.190 52.145 -63.734 1.00 0.00 C ATOM 292 CD2 LEU A 37 47.569 52.825 -63.678 1.00 0.00 C ATOM 0 H LEU A 37 44.654 57.284 -63.573 1.00 0.00 H new ATOM 0 HA LEU A 37 43.655 54.533 -63.768 1.00 0.00 H new ATOM 0 HB2 LEU A 37 45.853 54.539 -64.951 1.00 0.00 H new ATOM 0 HB3 LEU A 37 46.602 55.319 -63.571 1.00 0.00 H new ATOM 0 HG LEU A 37 46.068 53.333 -62.183 1.00 0.00 H new ATOM 0 HD11 LEU A 37 45.470 51.193 -63.283 1.00 0.00 H new ATOM 0 HD12 LEU A 37 44.175 52.404 -63.434 1.00 0.00 H new ATOM 0 HD13 LEU A 37 45.237 52.060 -64.820 1.00 0.00 H new ATOM 0 HD21 LEU A 37 47.803 51.849 -63.253 1.00 0.00 H new ATOM 0 HD22 LEU A 37 47.630 52.772 -64.765 1.00 0.00 H new ATOM 0 HD23 LEU A 37 48.284 53.561 -63.310 1.00 0.00 H new ATOM 304 N SER A 38 43.572 54.431 -61.304 1.00 0.00 N ATOM 305 CA SER A 38 43.505 54.241 -59.846 1.00 0.00 C ATOM 306 C SER A 38 43.161 52.786 -59.496 1.00 0.00 C ATOM 307 O SER A 38 42.415 52.124 -60.226 1.00 0.00 O ATOM 308 CB SER A 38 42.471 55.190 -59.227 1.00 0.00 C ATOM 309 OG SER A 38 42.524 55.112 -57.809 1.00 0.00 O ATOM 0 H SER A 38 42.969 53.786 -61.815 1.00 0.00 H new ATOM 0 HA SER A 38 44.487 54.471 -59.432 1.00 0.00 H new ATOM 0 HB2 SER A 38 42.665 56.213 -59.550 1.00 0.00 H new ATOM 0 HB3 SER A 38 41.472 54.930 -59.576 1.00 0.00 H new ATOM 0 HG SER A 38 41.862 55.722 -57.423 1.00 0.00 H new ATOM 315 N SER A 39 43.708 52.286 -58.384 1.00 0.00 N ATOM 316 CA SER A 39 43.555 50.896 -57.913 1.00 0.00 C ATOM 317 C SER A 39 43.420 50.764 -56.383 1.00 0.00 C ATOM 318 O SER A 39 43.449 49.653 -55.849 1.00 0.00 O ATOM 319 CB SER A 39 44.728 50.051 -58.436 1.00 0.00 C ATOM 320 OG SER A 39 45.975 50.566 -57.979 1.00 0.00 O ATOM 0 H SER A 39 44.288 52.851 -57.764 1.00 0.00 H new ATOM 0 HA SER A 39 42.613 50.525 -58.316 1.00 0.00 H new ATOM 0 HB2 SER A 39 44.613 49.019 -58.104 1.00 0.00 H new ATOM 0 HB3 SER A 39 44.714 50.038 -59.526 1.00 0.00 H new ATOM 0 HG SER A 39 46.705 50.010 -58.324 1.00 0.00 H new ATOM 326 N GLU A 40 43.265 51.881 -55.658 1.00 0.00 N ATOM 327 CA GLU A 40 43.276 51.936 -54.189 1.00 0.00 C ATOM 328 C GLU A 40 41.897 52.304 -53.606 1.00 0.00 C ATOM 329 O GLU A 40 41.375 53.396 -53.862 1.00 0.00 O ATOM 330 CB GLU A 40 44.373 52.912 -53.731 1.00 0.00 C ATOM 331 CG GLU A 40 44.565 52.919 -52.210 1.00 0.00 C ATOM 332 CD GLU A 40 45.709 53.869 -51.809 1.00 0.00 C ATOM 333 OE1 GLU A 40 46.890 53.442 -51.807 1.00 0.00 O ATOM 334 OE2 GLU A 40 45.439 55.054 -51.493 1.00 0.00 O ATOM 0 H GLU A 40 43.125 52.795 -56.088 1.00 0.00 H new ATOM 0 HA GLU A 40 43.501 50.941 -53.804 1.00 0.00 H new ATOM 0 HB2 GLU A 40 45.315 52.644 -54.210 1.00 0.00 H new ATOM 0 HB3 GLU A 40 44.120 53.918 -54.065 1.00 0.00 H new ATOM 0 HG2 GLU A 40 43.640 53.230 -51.723 1.00 0.00 H new ATOM 0 HG3 GLU A 40 44.785 51.910 -51.862 1.00 0.00 H new ATOM 341 N SER A 41 41.341 51.408 -52.778 1.00 0.00 N ATOM 342 CA SER A 41 40.060 51.597 -52.061 1.00 0.00 C ATOM 343 C SER A 41 40.174 51.433 -50.531 1.00 0.00 C ATOM 344 O SER A 41 39.164 51.482 -49.830 1.00 0.00 O ATOM 345 CB SER A 41 38.988 50.648 -52.625 1.00 0.00 C ATOM 346 OG SER A 41 38.808 50.840 -54.024 1.00 0.00 O ATOM 0 H SER A 41 41.776 50.507 -52.580 1.00 0.00 H new ATOM 0 HA SER A 41 39.765 52.632 -52.232 1.00 0.00 H new ATOM 0 HB2 SER A 41 39.277 49.615 -52.432 1.00 0.00 H new ATOM 0 HB3 SER A 41 38.043 50.816 -52.109 1.00 0.00 H new ATOM 0 HG SER A 41 38.122 50.222 -54.353 1.00 0.00 H new ATOM 352 N GLU A 42 41.393 51.223 -50.005 1.00 0.00 N ATOM 353 CA GLU A 42 41.710 51.018 -48.573 1.00 0.00 C ATOM 354 C GLU A 42 40.994 49.824 -47.895 1.00 0.00 C ATOM 355 O GLU A 42 40.970 49.719 -46.668 1.00 0.00 O ATOM 356 CB GLU A 42 41.575 52.340 -47.785 1.00 0.00 C ATOM 357 CG GLU A 42 42.428 53.479 -48.359 1.00 0.00 C ATOM 358 CD GLU A 42 42.321 54.737 -47.476 1.00 0.00 C ATOM 359 OE1 GLU A 42 41.409 55.571 -47.701 1.00 0.00 O ATOM 360 OE2 GLU A 42 43.150 54.907 -46.547 1.00 0.00 O ATOM 0 H GLU A 42 42.227 51.189 -50.591 1.00 0.00 H new ATOM 0 HA GLU A 42 42.756 50.713 -48.547 1.00 0.00 H new ATOM 0 HB2 GLU A 42 40.529 52.646 -47.779 1.00 0.00 H new ATOM 0 HB3 GLU A 42 41.862 52.168 -46.748 1.00 0.00 H new ATOM 0 HG2 GLU A 42 43.469 53.163 -48.425 1.00 0.00 H new ATOM 0 HG3 GLU A 42 42.100 53.711 -49.372 1.00 0.00 H new ATOM 367 N ASP A 43 40.446 48.885 -48.680 1.00 0.00 N ATOM 368 CA ASP A 43 39.643 47.756 -48.173 1.00 0.00 C ATOM 369 C ASP A 43 40.477 46.632 -47.529 1.00 0.00 C ATOM 370 O ASP A 43 39.995 45.895 -46.667 1.00 0.00 O ATOM 371 CB ASP A 43 38.772 47.226 -49.320 1.00 0.00 C ATOM 372 CG ASP A 43 37.770 46.157 -48.848 1.00 0.00 C ATOM 373 OD1 ASP A 43 36.819 46.504 -48.105 1.00 0.00 O ATOM 374 OD2 ASP A 43 37.905 44.975 -49.245 1.00 0.00 O ATOM 0 H ASP A 43 40.547 48.885 -49.695 1.00 0.00 H new ATOM 0 HA ASP A 43 39.018 48.129 -47.361 1.00 0.00 H new ATOM 0 HB2 ASP A 43 38.229 48.055 -49.773 1.00 0.00 H new ATOM 0 HB3 ASP A 43 39.413 46.804 -50.094 1.00 0.00 H new ATOM 379 N GLU A 44 41.748 46.538 -47.923 1.00 0.00 N ATOM 380 CA GLU A 44 42.723 45.533 -47.455 1.00 0.00 C ATOM 381 C GLU A 44 43.951 46.123 -46.729 1.00 0.00 C ATOM 382 O GLU A 44 44.820 45.380 -46.267 1.00 0.00 O ATOM 383 CB GLU A 44 43.122 44.616 -48.626 1.00 0.00 C ATOM 384 CG GLU A 44 43.909 45.327 -49.739 1.00 0.00 C ATOM 385 CD GLU A 44 44.309 44.331 -50.845 1.00 0.00 C ATOM 386 OE1 GLU A 44 43.528 44.138 -51.810 1.00 0.00 O ATOM 387 OE2 GLU A 44 45.412 43.737 -50.767 1.00 0.00 O ATOM 0 H GLU A 44 42.149 47.183 -48.604 1.00 0.00 H new ATOM 0 HA GLU A 44 42.224 44.942 -46.687 1.00 0.00 H new ATOM 0 HB2 GLU A 44 43.723 43.792 -48.240 1.00 0.00 H new ATOM 0 HB3 GLU A 44 42.220 44.179 -49.055 1.00 0.00 H new ATOM 0 HG2 GLU A 44 43.304 46.127 -50.165 1.00 0.00 H new ATOM 0 HG3 GLU A 44 44.802 45.791 -49.320 1.00 0.00 H new ATOM 631 N ALA A 61 66.674 33.547 -15.743 1.00 0.00 N ATOM 632 CA ALA A 61 67.967 32.918 -15.474 1.00 0.00 C ATOM 633 C ALA A 61 68.017 32.175 -14.128 1.00 0.00 C ATOM 634 O ALA A 61 67.498 32.660 -13.118 1.00 0.00 O ATOM 635 CB ALA A 61 69.068 33.979 -15.555 1.00 0.00 C ATOM 0 HA ALA A 61 68.125 32.154 -16.236 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.035 33.516 -15.355 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.076 34.420 -16.552 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.879 34.757 -14.816 1.00 0.00 H new ATOM 641 N ALA A 62 68.702 31.031 -14.109 1.00 0.00 N ATOM 642 CA ALA A 62 69.148 30.347 -12.897 1.00 0.00 C ATOM 643 C ALA A 62 70.537 30.853 -12.452 1.00 0.00 C ATOM 644 O ALA A 62 71.324 31.349 -13.263 1.00 0.00 O ATOM 645 CB ALA A 62 69.125 28.832 -13.136 1.00 0.00 C ATOM 0 H ALA A 62 68.969 30.541 -14.963 1.00 0.00 H new ATOM 0 HA ALA A 62 68.466 30.573 -12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.457 28.316 -12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.110 28.518 -13.381 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.791 28.584 -13.962 1.00 0.00 H new ATOM 651 N LEU A 63 70.833 30.727 -11.153 1.00 0.00 N ATOM 652 CA LEU A 63 72.061 31.225 -10.517 1.00 0.00 C ATOM 653 C LEU A 63 72.714 30.168 -9.614 1.00 0.00 C ATOM 654 O LEU A 63 72.039 29.281 -9.084 1.00 0.00 O ATOM 655 CB LEU A 63 71.745 32.480 -9.676 1.00 0.00 C ATOM 656 CG LEU A 63 71.147 33.676 -10.435 1.00 0.00 C ATOM 657 CD1 LEU A 63 70.839 34.796 -9.441 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.102 34.239 -11.485 1.00 0.00 C ATOM 0 H LEU A 63 70.207 30.262 -10.495 1.00 0.00 H new ATOM 0 HA LEU A 63 72.762 31.469 -11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.052 32.196 -8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.665 32.808 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 63 70.249 33.319 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.415 35.648 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.125 34.438 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 63 71.758 35.102 -8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.630 35.081 -11.991 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.019 34.574 -11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.339 33.464 -12.214 1.00 0.00 H new ATOM 670 N HIS A 64 74.018 30.320 -9.366 1.00 0.00 N ATOM 671 CA HIS A 64 74.718 29.640 -8.270 1.00 0.00 C ATOM 672 C HIS A 64 74.488 30.395 -6.952 1.00 0.00 C ATOM 673 O HIS A 64 74.538 31.625 -6.930 1.00 0.00 O ATOM 674 CB HIS A 64 76.212 29.551 -8.600 1.00 0.00 C ATOM 675 CG HIS A 64 76.545 28.585 -9.705 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.519 27.191 -9.594 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.979 28.928 -10.954 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.942 26.724 -10.782 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.227 27.743 -11.612 1.00 0.00 N ATOM 0 H HIS A 64 74.623 30.923 -9.924 1.00 0.00 H new ATOM 0 HA HIS A 64 74.326 28.630 -8.153 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.570 30.542 -8.879 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.754 29.258 -7.701 1.00 0.00 H new ATOM 0 HD1 HIS A 64 76.238 26.643 -8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.103 29.926 -11.347 1.00 0.00 H new ATOM 0 HE1 HIS A 64 77.039 25.678 -11.034 1.00 0.00 H new ATOM 687 N ALA A 65 74.257 29.676 -5.850 1.00 0.00 N ATOM 688 CA ALA A 65 73.917 30.276 -4.552 1.00 0.00 C ATOM 689 C ALA A 65 75.116 30.438 -3.590 1.00 0.00 C ATOM 690 O ALA A 65 75.050 31.238 -2.656 1.00 0.00 O ATOM 691 CB ALA A 65 72.805 29.426 -3.924 1.00 0.00 C ATOM 0 H ALA A 65 74.300 28.657 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 65 73.581 31.298 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.529 29.846 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.935 29.423 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.160 28.405 -3.788 1.00 0.00 H new ATOM 697 N GLU A 66 76.202 29.684 -3.801 1.00 0.00 N ATOM 698 CA GLU A 66 77.354 29.578 -2.887 1.00 0.00 C ATOM 699 C GLU A 66 78.700 29.524 -3.640 1.00 0.00 C ATOM 700 O GLU A 66 78.750 29.285 -4.852 1.00 0.00 O ATOM 701 CB GLU A 66 77.202 28.326 -1.999 1.00 0.00 C ATOM 702 CG GLU A 66 75.997 28.385 -1.050 1.00 0.00 C ATOM 703 CD GLU A 66 75.990 27.174 -0.097 1.00 0.00 C ATOM 704 OE1 GLU A 66 75.397 26.122 -0.443 1.00 0.00 O ATOM 705 OE2 GLU A 66 76.570 27.265 1.014 1.00 0.00 O ATOM 0 H GLU A 66 76.310 29.111 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 66 77.363 30.476 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.108 27.448 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.110 28.196 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.029 29.308 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 66 75.073 28.403 -1.629 1.00 0.00 H new ATOM 712 N GLY A 67 79.807 29.729 -2.913 1.00 0.00 N ATOM 713 CA GLY A 67 81.173 29.675 -3.453 1.00 0.00 C ATOM 714 C GLY A 67 81.550 30.881 -4.334 1.00 0.00 C ATOM 715 O GLY A 67 80.868 31.912 -4.303 1.00 0.00 O ATOM 0 H GLY A 67 79.778 29.941 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.878 29.610 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.285 28.762 -4.038 1.00 0.00 H new ATOM 719 N PRO A 68 82.624 30.778 -5.145 1.00 0.00 N ATOM 720 CA PRO A 68 83.130 31.892 -5.957 1.00 0.00 C ATOM 721 C PRO A 68 82.181 32.315 -7.093 1.00 0.00 C ATOM 722 O PRO A 68 82.307 33.425 -7.615 1.00 0.00 O ATOM 723 CB PRO A 68 84.485 31.412 -6.491 1.00 0.00 C ATOM 724 CG PRO A 68 84.335 29.893 -6.540 1.00 0.00 C ATOM 725 CD PRO A 68 83.472 29.603 -5.314 1.00 0.00 C ATOM 0 HA PRO A 68 83.218 32.795 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.697 31.826 -7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.303 31.713 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.855 29.563 -7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.300 29.389 -6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.872 28.705 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.089 29.434 -4.431 1.00 0.00 H new ATOM 733 N LEU A 69 81.211 31.462 -7.461 1.00 0.00 N ATOM 734 CA LEU A 69 80.174 31.758 -8.457 1.00 0.00 C ATOM 735 C LEU A 69 78.863 32.299 -7.853 1.00 0.00 C ATOM 736 O LEU A 69 77.898 32.472 -8.591 1.00 0.00 O ATOM 737 CB LEU A 69 79.927 30.524 -9.353 1.00 0.00 C ATOM 738 CG LEU A 69 81.131 30.041 -10.184 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.730 28.791 -10.964 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.634 31.082 -11.186 1.00 0.00 C ATOM 0 H LEU A 69 81.126 30.526 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 69 80.555 32.573 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.594 29.701 -8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.108 30.753 -10.035 1.00 0.00 H new ATOM 0 HG LEU A 69 81.937 29.843 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.577 28.443 -11.555 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.428 28.009 -10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.898 29.027 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.482 30.676 -11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.834 31.332 -11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.944 31.980 -10.652 1.00 0.00 H new ATOM 752 N ALA A 70 78.772 32.577 -6.548 1.00 0.00 N ATOM 753 CA ALA A 70 77.529 33.050 -5.935 1.00 0.00 C ATOM 754 C ALA A 70 76.983 34.319 -6.630 1.00 0.00 C ATOM 755 O ALA A 70 77.660 35.347 -6.729 1.00 0.00 O ATOM 756 CB ALA A 70 77.752 33.271 -4.436 1.00 0.00 C ATOM 0 H ALA A 70 79.549 32.482 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 70 76.764 32.285 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.827 33.623 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.053 32.332 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.535 34.015 -4.290 1.00 0.00 H new ATOM 762 N GLY A 71 75.744 34.224 -7.121 1.00 0.00 N ATOM 763 CA GLY A 71 75.055 35.256 -7.907 1.00 0.00 C ATOM 764 C GLY A 71 75.379 35.268 -9.414 1.00 0.00 C ATOM 765 O GLY A 71 74.922 36.169 -10.118 1.00 0.00 O ATOM 0 H GLY A 71 75.169 33.394 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.980 35.124 -7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.305 36.232 -7.491 1.00 0.00 H new ATOM 769 N LEU A 72 76.151 34.295 -9.916 1.00 0.00 N ATOM 770 CA LEU A 72 76.572 34.151 -11.322 1.00 0.00 C ATOM 771 C LEU A 72 75.765 33.031 -12.042 1.00 0.00 C ATOM 772 O LEU A 72 75.145 32.204 -11.364 1.00 0.00 O ATOM 773 CB LEU A 72 78.111 33.964 -11.359 1.00 0.00 C ATOM 774 CG LEU A 72 78.945 35.042 -10.627 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.423 34.884 -10.996 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.561 36.481 -10.985 1.00 0.00 C ATOM 0 H LEU A 72 76.519 33.549 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 72 76.343 35.053 -11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.349 32.993 -10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.428 33.934 -12.401 1.00 0.00 H new ATOM 0 HG LEU A 72 78.749 34.886 -9.566 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.010 35.644 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.769 33.894 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.544 35.002 -12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.192 37.175 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.701 36.640 -12.054 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.516 36.654 -10.726 1.00 0.00 H new ATOM 788 N PRO A 73 75.712 33.001 -13.395 1.00 0.00 N ATOM 789 CA PRO A 73 74.806 32.139 -14.171 1.00 0.00 C ATOM 790 C PRO A 73 75.189 30.655 -14.125 1.00 0.00 C ATOM 791 O PRO A 73 76.326 30.319 -13.806 1.00 0.00 O ATOM 792 CB PRO A 73 74.887 32.662 -15.610 1.00 0.00 C ATOM 793 CG PRO A 73 76.271 33.282 -15.705 1.00 0.00 C ATOM 794 CD PRO A 73 76.527 33.800 -14.300 1.00 0.00 C ATOM 0 HA PRO A 73 73.800 32.184 -13.753 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.761 31.857 -16.334 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.107 33.396 -15.811 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.019 32.548 -16.004 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.301 34.086 -16.440 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.583 33.715 -14.044 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.265 34.855 -14.225 1.00 0.00 H new ATOM 802 N VAL A 74 74.285 29.755 -14.527 1.00 0.00 N ATOM 803 CA VAL A 74 74.562 28.306 -14.614 1.00 0.00 C ATOM 804 C VAL A 74 74.687 27.817 -16.069 1.00 0.00 C ATOM 805 O VAL A 74 75.461 26.896 -16.328 1.00 0.00 O ATOM 806 CB VAL A 74 73.521 27.493 -13.817 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.940 26.025 -13.661 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.311 28.047 -12.398 1.00 0.00 C ATOM 0 H VAL A 74 73.336 30.006 -14.803 1.00 0.00 H new ATOM 0 HA VAL A 74 75.535 28.137 -14.154 1.00 0.00 H new ATOM 0 HB VAL A 74 72.599 27.572 -14.394 1.00 0.00 H new ATOM 0 HG11 VAL A 74 73.180 25.488 -13.094 1.00 0.00 H new ATOM 0 HG12 VAL A 74 74.047 25.570 -14.646 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.892 25.972 -13.132 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.570 27.441 -11.877 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.254 28.016 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.961 29.077 -12.458 1.00 0.00 H new ATOM 818 N THR A 75 73.999 28.450 -17.030 1.00 0.00 N ATOM 819 CA THR A 75 74.012 28.094 -18.470 1.00 0.00 C ATOM 820 C THR A 75 74.376 29.258 -19.398 1.00 0.00 C ATOM 821 O THR A 75 74.451 30.412 -18.973 1.00 0.00 O ATOM 822 CB THR A 75 72.666 27.494 -18.914 1.00 0.00 C ATOM 823 OG1 THR A 75 71.690 28.512 -18.972 1.00 0.00 O ATOM 824 CG2 THR A 75 72.209 26.371 -17.988 1.00 0.00 C ATOM 0 H THR A 75 73.398 29.249 -16.828 1.00 0.00 H new ATOM 0 HA THR A 75 74.802 27.348 -18.564 1.00 0.00 H new ATOM 0 HB THR A 75 72.801 27.059 -19.904 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.834 28.129 -19.256 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.255 25.976 -18.338 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.953 25.575 -17.987 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.092 26.759 -16.976 1.00 0.00 H new ATOM 832 N ARG A 76 74.568 28.979 -20.701 1.00 0.00 N ATOM 833 CA ARG A 76 74.794 30.023 -21.726 1.00 0.00 C ATOM 834 C ARG A 76 73.582 30.951 -21.875 1.00 0.00 C ATOM 835 O ARG A 76 73.745 32.159 -22.016 1.00 0.00 O ATOM 836 CB ARG A 76 75.239 29.395 -23.067 1.00 0.00 C ATOM 837 CG ARG A 76 74.169 28.551 -23.785 1.00 0.00 C ATOM 838 CD ARG A 76 74.720 27.929 -25.075 1.00 0.00 C ATOM 839 NE ARG A 76 73.668 27.182 -25.795 1.00 0.00 N ATOM 840 CZ ARG A 76 73.353 25.902 -25.679 1.00 0.00 C ATOM 841 NH1 ARG A 76 73.982 25.095 -24.869 1.00 0.00 N ATOM 842 NH2 ARG A 76 72.379 25.401 -26.383 1.00 0.00 N ATOM 0 H ARG A 76 74.571 28.030 -21.074 1.00 0.00 H new ATOM 0 HA ARG A 76 75.613 30.656 -21.386 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.557 30.195 -23.736 1.00 0.00 H new ATOM 0 HB3 ARG A 76 76.111 28.767 -22.884 1.00 0.00 H new ATOM 0 HG2 ARG A 76 73.819 27.762 -23.120 1.00 0.00 H new ATOM 0 HG3 ARG A 76 73.307 29.176 -24.020 1.00 0.00 H new ATOM 0 HD2 ARG A 76 75.120 28.713 -25.719 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.547 27.260 -24.836 1.00 0.00 H new ATOM 0 HE ARG A 76 73.117 27.719 -26.464 1.00 0.00 H new ATOM 0 HH11 ARG A 76 74.749 25.445 -24.294 1.00 0.00 H new ATOM 0 HH12 ARG A 76 73.707 24.115 -24.810 1.00 0.00 H new ATOM 0 HH21 ARG A 76 71.856 25.996 -27.026 1.00 0.00 H new ATOM 0 HH22 ARG A 76 72.139 24.414 -26.291 1.00 0.00 H new ATOM 856 N SER A 77 72.377 30.394 -21.734 1.00 0.00 N ATOM 857 CA SER A 77 71.123 31.154 -21.687 1.00 0.00 C ATOM 858 C SER A 77 71.067 32.040 -20.442 1.00 0.00 C ATOM 859 O SER A 77 70.771 33.227 -20.561 1.00 0.00 O ATOM 860 CB SER A 77 69.915 30.210 -21.722 1.00 0.00 C ATOM 861 OG SER A 77 69.979 29.386 -22.880 1.00 0.00 O ATOM 0 H SER A 77 72.242 29.387 -21.648 1.00 0.00 H new ATOM 0 HA SER A 77 71.088 31.796 -22.567 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.900 29.591 -20.825 1.00 0.00 H new ATOM 0 HB3 SER A 77 68.991 30.788 -21.727 1.00 0.00 H new ATOM 0 HG SER A 77 69.206 28.784 -22.896 1.00 0.00 H new ATOM 867 N ASP A 78 71.452 31.520 -19.269 1.00 0.00 N ATOM 868 CA ASP A 78 71.529 32.335 -18.051 1.00 0.00 C ATOM 869 C ASP A 78 72.529 33.489 -18.221 1.00 0.00 C ATOM 870 O ASP A 78 72.203 34.634 -17.917 1.00 0.00 O ATOM 871 CB ASP A 78 71.953 31.494 -16.842 1.00 0.00 C ATOM 872 CG ASP A 78 71.022 30.344 -16.447 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.791 30.413 -16.681 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.556 29.396 -15.830 1.00 0.00 O ATOM 0 H ASP A 78 71.714 30.543 -19.139 1.00 0.00 H new ATOM 0 HA ASP A 78 70.531 32.738 -17.878 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.940 31.079 -17.045 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.057 32.158 -15.984 1.00 0.00 H new ATOM 879 N ALA A 79 73.728 33.214 -18.755 1.00 0.00 N ATOM 880 CA ALA A 79 74.764 34.221 -18.980 1.00 0.00 C ATOM 881 C ALA A 79 74.320 35.317 -19.966 1.00 0.00 C ATOM 882 O ALA A 79 74.520 36.499 -19.684 1.00 0.00 O ATOM 883 CB ALA A 79 76.054 33.503 -19.417 1.00 0.00 C ATOM 0 H ALA A 79 74.004 32.276 -19.044 1.00 0.00 H new ATOM 0 HA ALA A 79 74.956 34.756 -18.050 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.839 34.239 -19.590 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.369 32.813 -18.634 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.868 32.948 -20.337 1.00 0.00 H new ATOM 889 N ARG A 80 73.646 34.963 -21.070 1.00 0.00 N ATOM 890 CA ARG A 80 73.092 35.939 -22.029 1.00 0.00 C ATOM 891 C ARG A 80 71.993 36.807 -21.404 1.00 0.00 C ATOM 892 O ARG A 80 72.014 38.023 -21.581 1.00 0.00 O ATOM 893 CB ARG A 80 72.616 35.193 -23.292 1.00 0.00 C ATOM 894 CG ARG A 80 72.187 36.157 -24.412 1.00 0.00 C ATOM 895 CD ARG A 80 71.921 35.431 -25.739 1.00 0.00 C ATOM 896 NE ARG A 80 70.787 34.486 -25.648 1.00 0.00 N ATOM 897 CZ ARG A 80 69.521 34.708 -25.965 1.00 0.00 C ATOM 898 NH1 ARG A 80 69.078 35.865 -26.364 1.00 0.00 N ATOM 899 NH2 ARG A 80 68.638 33.758 -25.897 1.00 0.00 N ATOM 0 H ARG A 80 73.468 33.992 -21.326 1.00 0.00 H new ATOM 0 HA ARG A 80 73.877 36.638 -22.317 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.418 34.551 -23.656 1.00 0.00 H new ATOM 0 HB3 ARG A 80 71.779 34.544 -23.034 1.00 0.00 H new ATOM 0 HG2 ARG A 80 71.286 36.689 -24.105 1.00 0.00 H new ATOM 0 HG3 ARG A 80 72.965 36.906 -24.560 1.00 0.00 H new ATOM 0 HD2 ARG A 80 71.716 36.166 -26.517 1.00 0.00 H new ATOM 0 HD3 ARG A 80 72.818 34.890 -26.040 1.00 0.00 H new ATOM 0 HE ARG A 80 71.006 33.553 -25.300 1.00 0.00 H new ATOM 0 HH11 ARG A 80 69.717 36.656 -26.445 1.00 0.00 H new ATOM 0 HH12 ARG A 80 68.092 35.981 -26.596 1.00 0.00 H new ATOM 0 HH21 ARG A 80 68.916 32.824 -25.596 1.00 0.00 H new ATOM 0 HH22 ARG A 80 67.667 33.946 -26.145 1.00 0.00 H new ATOM 913 N VAL A 81 71.087 36.211 -20.623 1.00 0.00 N ATOM 914 CA VAL A 81 70.026 36.938 -19.893 1.00 0.00 C ATOM 915 C VAL A 81 70.624 37.907 -18.877 1.00 0.00 C ATOM 916 O VAL A 81 70.247 39.076 -18.865 1.00 0.00 O ATOM 917 CB VAL A 81 69.055 35.960 -19.203 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.070 36.645 -18.246 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.223 35.235 -20.259 1.00 0.00 C ATOM 0 H VAL A 81 71.063 35.202 -20.474 1.00 0.00 H new ATOM 0 HA VAL A 81 69.461 37.517 -20.624 1.00 0.00 H new ATOM 0 HB VAL A 81 69.680 35.280 -18.624 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.418 35.896 -17.797 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.624 37.161 -17.462 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.467 37.366 -18.799 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.537 34.544 -19.770 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.654 35.963 -20.837 1.00 0.00 H new ATOM 0 HG23 VAL A 81 68.884 34.680 -20.925 1.00 0.00 H new ATOM 929 N LEU A 82 71.585 37.458 -18.065 1.00 0.00 N ATOM 930 CA LEU A 82 72.300 38.321 -17.119 1.00 0.00 C ATOM 931 C LEU A 82 73.025 39.484 -17.807 1.00 0.00 C ATOM 932 O LEU A 82 72.837 40.623 -17.387 1.00 0.00 O ATOM 933 CB LEU A 82 73.279 37.486 -16.276 1.00 0.00 C ATOM 934 CG LEU A 82 72.694 37.081 -14.916 1.00 0.00 C ATOM 935 CD1 LEU A 82 71.437 36.220 -15.008 1.00 0.00 C ATOM 936 CD2 LEU A 82 73.746 36.292 -14.151 1.00 0.00 C ATOM 0 H LEU A 82 71.890 36.485 -18.045 1.00 0.00 H new ATOM 0 HA LEU A 82 71.553 38.769 -16.463 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.555 36.589 -16.830 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.194 38.057 -16.118 1.00 0.00 H new ATOM 0 HG LEU A 82 72.412 38.007 -14.415 1.00 0.00 H new ATOM 0 HD11 LEU A 82 71.088 35.978 -14.004 1.00 0.00 H new ATOM 0 HD12 LEU A 82 70.659 36.767 -15.541 1.00 0.00 H new ATOM 0 HD13 LEU A 82 71.665 35.299 -15.545 1.00 0.00 H new ATOM 0 HD21 LEU A 82 73.345 35.997 -13.181 1.00 0.00 H new ATOM 0 HD22 LEU A 82 74.017 35.402 -14.718 1.00 0.00 H new ATOM 0 HD23 LEU A 82 74.631 36.912 -14.005 1.00 0.00 H new ATOM 948 N ILE A 83 73.795 39.224 -18.875 1.00 0.00 N ATOM 949 CA ILE A 83 74.471 40.279 -19.654 1.00 0.00 C ATOM 950 C ILE A 83 73.450 41.310 -20.144 1.00 0.00 C ATOM 951 O ILE A 83 73.633 42.502 -19.910 1.00 0.00 O ATOM 952 CB ILE A 83 75.292 39.672 -20.819 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.566 39.009 -20.241 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.672 40.726 -21.885 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.282 38.069 -21.218 1.00 0.00 C ATOM 0 H ILE A 83 73.968 38.281 -19.224 1.00 0.00 H new ATOM 0 HA ILE A 83 75.179 40.795 -19.006 1.00 0.00 H new ATOM 0 HB ILE A 83 74.672 38.929 -21.321 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.260 39.790 -19.931 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.296 38.448 -19.346 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.246 40.249 -22.679 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.766 41.163 -22.304 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.272 41.510 -21.424 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.163 37.646 -20.736 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.607 37.265 -21.510 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.585 38.627 -22.104 1.00 0.00 H new ATOM 967 N PHE A 84 72.364 40.862 -20.782 1.00 0.00 N ATOM 968 CA PHE A 84 71.356 41.758 -21.339 1.00 0.00 C ATOM 969 C PHE A 84 70.606 42.555 -20.263 1.00 0.00 C ATOM 970 O PHE A 84 70.527 43.775 -20.370 1.00 0.00 O ATOM 971 CB PHE A 84 70.387 40.960 -22.220 1.00 0.00 C ATOM 972 CG PHE A 84 69.553 41.807 -23.166 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.183 42.672 -24.081 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.149 41.684 -23.187 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.434 43.361 -25.045 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.392 42.404 -24.131 1.00 0.00 C ATOM 977 CZ PHE A 84 68.035 43.235 -25.067 1.00 0.00 C ATOM 0 H PHE A 84 72.163 39.872 -20.924 1.00 0.00 H new ATOM 0 HA PHE A 84 71.873 42.498 -21.950 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.958 40.239 -22.805 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.717 40.389 -21.577 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.254 42.806 -24.040 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.653 41.037 -22.478 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.932 43.988 -25.770 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.315 42.318 -24.137 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.454 43.775 -25.801 1.00 0.00 H new ATOM 987 N ASN A 85 70.100 41.904 -19.208 1.00 0.00 N ATOM 988 CA ASN A 85 69.325 42.582 -18.167 1.00 0.00 C ATOM 989 C ASN A 85 70.179 43.571 -17.354 1.00 0.00 C ATOM 990 O ASN A 85 69.756 44.713 -17.141 1.00 0.00 O ATOM 991 CB ASN A 85 68.650 41.546 -17.255 1.00 0.00 C ATOM 992 CG ASN A 85 67.793 42.254 -16.214 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.637 42.577 -16.450 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.338 42.566 -15.060 1.00 0.00 N ATOM 0 H ASN A 85 70.216 40.902 -19.055 1.00 0.00 H new ATOM 0 HA ASN A 85 68.553 43.174 -18.659 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.033 40.872 -17.849 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.406 40.935 -16.762 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.797 43.077 -14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.302 42.297 -14.862 1.00 0.00 H new ATOM 1001 N GLU A 86 71.377 43.155 -16.915 1.00 0.00 N ATOM 1002 CA GLU A 86 72.293 44.070 -16.228 1.00 0.00 C ATOM 1003 C GLU A 86 72.659 45.234 -17.141 1.00 0.00 C ATOM 1004 O GLU A 86 72.495 46.376 -16.726 1.00 0.00 O ATOM 1005 CB GLU A 86 73.572 43.376 -15.731 1.00 0.00 C ATOM 1006 CG GLU A 86 73.353 42.543 -14.462 1.00 0.00 C ATOM 1007 CD GLU A 86 72.953 43.429 -13.262 1.00 0.00 C ATOM 1008 OE1 GLU A 86 73.759 44.297 -12.841 1.00 0.00 O ATOM 1009 OE2 GLU A 86 71.828 43.263 -12.734 1.00 0.00 O ATOM 0 H GLU A 86 71.728 42.203 -17.023 1.00 0.00 H new ATOM 0 HA GLU A 86 71.765 44.438 -15.348 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.957 42.730 -16.520 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.334 44.130 -15.536 1.00 0.00 H new ATOM 0 HG2 GLU A 86 72.575 41.801 -14.643 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.265 41.996 -14.223 1.00 0.00 H new ATOM 1016 N TRP A 87 73.076 44.988 -18.390 1.00 0.00 N ATOM 1017 CA TRP A 87 73.357 46.082 -19.308 1.00 0.00 C ATOM 1018 C TRP A 87 72.153 47.009 -19.485 1.00 0.00 C ATOM 1019 O TRP A 87 72.333 48.207 -19.340 1.00 0.00 O ATOM 1020 CB TRP A 87 73.825 45.545 -20.651 1.00 0.00 C ATOM 1021 CG TRP A 87 73.928 46.580 -21.723 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.907 47.499 -21.876 1.00 0.00 C ATOM 1023 CD2 TRP A 87 73.029 46.764 -22.850 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.683 48.225 -23.029 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.556 47.787 -23.690 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.871 46.095 -23.291 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 73.008 48.079 -24.947 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.310 46.394 -24.539 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.869 47.378 -25.373 1.00 0.00 C ATOM 0 H TRP A 87 73.222 44.055 -18.776 1.00 0.00 H new ATOM 0 HA TRP A 87 74.158 46.677 -18.869 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.799 45.074 -20.522 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.136 44.767 -20.978 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.737 47.643 -21.200 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.277 48.989 -23.351 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.412 45.346 -22.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.456 48.832 -25.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.431 45.858 -24.867 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.426 47.593 -26.334 1.00 0.00 H new ATOM 1040 N GLU A 88 70.936 46.512 -19.712 1.00 0.00 N ATOM 1041 CA GLU A 88 69.747 47.358 -19.853 1.00 0.00 C ATOM 1042 C GLU A 88 69.500 48.262 -18.629 1.00 0.00 C ATOM 1043 O GLU A 88 69.312 49.467 -18.801 1.00 0.00 O ATOM 1044 CB GLU A 88 68.502 46.501 -20.127 1.00 0.00 C ATOM 1045 CG GLU A 88 68.366 46.049 -21.586 1.00 0.00 C ATOM 1046 CD GLU A 88 66.979 45.413 -21.821 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.636 44.397 -21.165 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.198 45.953 -22.646 1.00 0.00 O ATOM 0 H GLU A 88 70.746 45.514 -19.803 1.00 0.00 H new ATOM 0 HA GLU A 88 69.938 48.013 -20.703 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.531 45.620 -19.486 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.614 47.069 -19.849 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.501 46.901 -22.252 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.149 45.330 -21.826 1.00 0.00 H new ATOM 1055 N GLU A 89 69.537 47.741 -17.396 1.00 0.00 N ATOM 1056 CA GLU A 89 69.314 48.568 -16.194 1.00 0.00 C ATOM 1057 C GLU A 89 70.465 49.564 -15.944 1.00 0.00 C ATOM 1058 O GLU A 89 70.254 50.776 -15.774 1.00 0.00 O ATOM 1059 CB GLU A 89 69.096 47.675 -14.961 1.00 0.00 C ATOM 1060 CG GLU A 89 67.773 46.899 -15.037 1.00 0.00 C ATOM 1061 CD GLU A 89 67.473 46.144 -13.724 1.00 0.00 C ATOM 1062 OE1 GLU A 89 67.220 46.805 -12.687 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.454 44.887 -13.719 1.00 0.00 O ATOM 0 H GLU A 89 69.718 46.756 -17.201 1.00 0.00 H new ATOM 0 HA GLU A 89 68.415 49.158 -16.372 1.00 0.00 H new ATOM 0 HB2 GLU A 89 69.924 46.972 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.103 48.291 -14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.958 47.590 -15.253 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.815 46.189 -15.863 1.00 0.00 H new ATOM 1070 N ARG A 90 71.708 49.069 -15.992 1.00 0.00 N ATOM 1071 CA ARG A 90 72.920 49.886 -15.810 1.00 0.00 C ATOM 1072 C ARG A 90 72.992 50.967 -16.884 1.00 0.00 C ATOM 1073 O ARG A 90 73.301 52.105 -16.570 1.00 0.00 O ATOM 1074 CB ARG A 90 74.181 49.009 -15.862 1.00 0.00 C ATOM 1075 CG ARG A 90 74.214 47.882 -14.825 1.00 0.00 C ATOM 1076 CD ARG A 90 74.652 48.268 -13.413 1.00 0.00 C ATOM 1077 NE ARG A 90 74.577 47.077 -12.545 1.00 0.00 N ATOM 1078 CZ ARG A 90 74.886 46.967 -11.271 1.00 0.00 C ATOM 1079 NH1 ARG A 90 75.340 47.961 -10.559 1.00 0.00 N ATOM 1080 NH2 ARG A 90 74.725 45.808 -10.708 1.00 0.00 N ATOM 0 H ARG A 90 71.905 48.082 -16.159 1.00 0.00 H new ATOM 0 HA ARG A 90 72.869 50.360 -14.830 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.264 48.572 -16.857 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.056 49.643 -15.719 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.218 47.444 -14.765 1.00 0.00 H new ATOM 0 HG3 ARG A 90 74.884 47.103 -15.189 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.669 48.660 -13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.012 49.059 -13.023 1.00 0.00 H new ATOM 0 HE ARG A 90 74.240 46.225 -12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 90 75.470 48.877 -10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 90 75.565 47.822 -9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 90 74.370 45.022 -11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 90 74.954 45.684 -9.722 1.00 0.00 H new ATOM 1094 N LYS A 91 72.625 50.647 -18.128 1.00 0.00 N ATOM 1095 CA LYS A 91 72.561 51.592 -19.265 1.00 0.00 C ATOM 1096 C LYS A 91 71.388 52.573 -19.181 1.00 0.00 C ATOM 1097 O LYS A 91 71.543 53.711 -19.613 1.00 0.00 O ATOM 1098 CB LYS A 91 72.566 50.825 -20.606 1.00 0.00 C ATOM 1099 CG LYS A 91 72.727 51.676 -21.881 1.00 0.00 C ATOM 1100 CD LYS A 91 71.383 51.965 -22.576 1.00 0.00 C ATOM 1101 CE LYS A 91 71.495 52.917 -23.781 1.00 0.00 C ATOM 1102 NZ LYS A 91 72.294 52.351 -24.910 1.00 0.00 N ATOM 0 H LYS A 91 72.355 49.698 -18.388 1.00 0.00 H new ATOM 0 HA LYS A 91 73.458 52.209 -19.209 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.374 50.094 -20.579 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.633 50.266 -20.684 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.209 52.619 -21.625 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.388 51.159 -22.577 1.00 0.00 H new ATOM 0 HD2 LYS A 91 70.948 51.023 -22.909 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.694 52.395 -21.849 1.00 0.00 H new ATOM 0 HE2 LYS A 91 70.494 53.158 -24.139 1.00 0.00 H new ATOM 0 HE3 LYS A 91 71.951 53.852 -23.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 72.331 53.040 -25.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 73.260 52.145 -24.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 71.848 51.473 -25.245 1.00 0.00 H new ATOM 1116 N LYS A 92 70.251 52.211 -18.573 1.00 0.00 N ATOM 1117 CA LYS A 92 69.221 53.198 -18.186 1.00 0.00 C ATOM 1118 C LYS A 92 69.765 54.203 -17.158 1.00 0.00 C ATOM 1119 O LYS A 92 69.392 55.376 -17.219 1.00 0.00 O ATOM 1120 CB LYS A 92 67.939 52.504 -17.687 1.00 0.00 C ATOM 1121 CG LYS A 92 67.059 51.926 -18.811 1.00 0.00 C ATOM 1122 CD LYS A 92 66.304 53.010 -19.604 1.00 0.00 C ATOM 1123 CE LYS A 92 65.414 52.424 -20.713 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.202 51.732 -20.180 1.00 0.00 N ATOM 0 H LYS A 92 70.017 51.247 -18.337 1.00 0.00 H new ATOM 0 HA LYS A 92 68.954 53.765 -19.078 1.00 0.00 H new ATOM 0 HB2 LYS A 92 68.216 51.699 -17.006 1.00 0.00 H new ATOM 0 HB3 LYS A 92 67.352 53.220 -17.112 1.00 0.00 H new ATOM 0 HG2 LYS A 92 67.684 51.352 -19.495 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.338 51.231 -18.380 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.688 53.592 -18.919 1.00 0.00 H new ATOM 0 HD3 LYS A 92 67.024 53.698 -20.047 1.00 0.00 H new ATOM 0 HE2 LYS A 92 65.103 53.225 -21.384 1.00 0.00 H new ATOM 0 HE3 LYS A 92 65.997 51.720 -21.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 63.640 51.357 -20.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 64.493 50.949 -19.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.627 52.407 -19.637 1.00 0.00 H new ATOM 1138 N SER A 93 70.700 53.793 -16.292 1.00 0.00 N ATOM 1139 CA SER A 93 71.502 54.744 -15.485 1.00 0.00 C ATOM 1140 C SER A 93 72.690 55.402 -16.233 1.00 0.00 C ATOM 1141 O SER A 93 73.103 56.504 -15.867 1.00 0.00 O ATOM 1142 CB SER A 93 72.007 54.073 -14.199 1.00 0.00 C ATOM 1143 OG SER A 93 70.912 53.645 -13.399 1.00 0.00 O ATOM 0 H SER A 93 70.926 52.812 -16.126 1.00 0.00 H new ATOM 0 HA SER A 93 70.814 55.556 -15.250 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.637 53.220 -14.450 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.626 54.772 -13.636 1.00 0.00 H new ATOM 0 HG SER A 93 71.249 53.218 -12.584 1.00 0.00 H new ATOM 1149 N GLU A 94 73.239 54.760 -17.270 1.00 0.00 N ATOM 1150 CA GLU A 94 74.507 55.099 -17.950 1.00 0.00 C ATOM 1151 C GLU A 94 74.394 54.934 -19.487 1.00 0.00 C ATOM 1152 O GLU A 94 74.852 53.926 -20.032 1.00 0.00 O ATOM 1153 CB GLU A 94 75.648 54.198 -17.423 1.00 0.00 C ATOM 1154 CG GLU A 94 75.858 54.272 -15.911 1.00 0.00 C ATOM 1155 CD GLU A 94 77.131 53.508 -15.496 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.240 54.098 -15.534 1.00 0.00 O ATOM 1157 OE2 GLU A 94 77.037 52.318 -15.106 1.00 0.00 O ATOM 0 H GLU A 94 72.790 53.943 -17.685 1.00 0.00 H new ATOM 0 HA GLU A 94 74.727 56.144 -17.733 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.437 53.165 -17.699 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.576 54.478 -17.921 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.937 55.314 -15.601 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.993 53.851 -15.398 1.00 0.00 H new ATOM 1164 N PRO A 95 73.785 55.882 -20.228 1.00 0.00 N ATOM 1165 CA PRO A 95 73.384 55.685 -21.632 1.00 0.00 C ATOM 1166 C PRO A 95 74.515 55.350 -22.632 1.00 0.00 C ATOM 1167 O PRO A 95 74.235 54.918 -23.752 1.00 0.00 O ATOM 1168 CB PRO A 95 72.612 56.955 -22.021 1.00 0.00 C ATOM 1169 CG PRO A 95 73.019 57.990 -20.972 1.00 0.00 C ATOM 1170 CD PRO A 95 73.248 57.138 -19.730 1.00 0.00 C ATOM 0 HA PRO A 95 72.776 54.783 -21.696 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.873 57.286 -23.026 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.536 56.783 -22.012 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.920 58.530 -21.264 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.239 58.734 -20.814 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.944 57.620 -19.044 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.319 56.980 -19.183 1.00 0.00 H new ATOM 1178 N TRP A 96 75.780 55.494 -22.231 1.00 0.00 N ATOM 1179 CA TRP A 96 76.990 55.167 -23.000 1.00 0.00 C ATOM 1180 C TRP A 96 77.446 53.691 -22.915 1.00 0.00 C ATOM 1181 O TRP A 96 78.391 53.313 -23.614 1.00 0.00 O ATOM 1182 CB TRP A 96 78.103 56.109 -22.511 1.00 0.00 C ATOM 1183 CG TRP A 96 78.338 56.097 -21.027 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.134 55.232 -20.357 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.743 56.960 -20.006 1.00 0.00 C ATOM 1186 NE1 TRP A 96 79.073 55.497 -19.002 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.224 56.548 -18.727 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.834 58.042 -20.032 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.817 57.168 -17.536 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.425 58.675 -18.842 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.909 58.237 -17.595 1.00 0.00 C ATOM 0 H TRP A 96 76.004 55.863 -21.307 1.00 0.00 H new ATOM 0 HA TRP A 96 76.759 55.307 -24.056 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.032 55.840 -23.013 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.858 57.126 -22.817 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.727 54.453 -20.812 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.592 54.979 -18.293 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.447 58.389 -20.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.198 56.827 -16.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.734 59.504 -18.887 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.583 58.722 -16.687 1.00 0.00 H new ATOM 1202 N LEU A 97 76.834 52.850 -22.066 1.00 0.00 N ATOM 1203 CA LEU A 97 77.343 51.521 -21.714 1.00 0.00 C ATOM 1204 C LEU A 97 77.443 50.538 -22.901 1.00 0.00 C ATOM 1205 O LEU A 97 76.514 50.410 -23.704 1.00 0.00 O ATOM 1206 CB LEU A 97 76.442 50.951 -20.605 1.00 0.00 C ATOM 1207 CG LEU A 97 77.060 49.799 -19.808 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.294 50.208 -19.001 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.026 49.252 -18.827 1.00 0.00 C ATOM 0 H LEU A 97 75.957 53.081 -21.599 1.00 0.00 H new ATOM 0 HA LEU A 97 78.371 51.640 -21.373 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.185 51.755 -19.915 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.511 50.606 -21.054 1.00 0.00 H new ATOM 0 HG LEU A 97 77.369 49.053 -20.540 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.679 49.343 -18.462 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.062 50.586 -19.676 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.021 50.987 -18.289 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.463 48.431 -18.258 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.718 50.044 -18.144 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.158 48.890 -19.378 1.00 0.00 H new ATOM 1221 N ARG A 98 78.547 49.780 -22.961 1.00 0.00 N ATOM 1222 CA ARG A 98 78.831 48.767 -23.999 1.00 0.00 C ATOM 1223 C ARG A 98 78.183 47.403 -23.705 1.00 0.00 C ATOM 1224 O ARG A 98 77.945 47.057 -22.548 1.00 0.00 O ATOM 1225 CB ARG A 98 80.354 48.606 -24.157 1.00 0.00 C ATOM 1226 CG ARG A 98 81.131 49.896 -24.490 1.00 0.00 C ATOM 1227 CD ARG A 98 80.714 50.572 -25.804 1.00 0.00 C ATOM 1228 NE ARG A 98 81.005 49.724 -26.979 1.00 0.00 N ATOM 1229 CZ ARG A 98 80.702 49.989 -28.240 1.00 0.00 C ATOM 1230 NH1 ARG A 98 80.066 51.071 -28.587 1.00 0.00 N ATOM 1231 NH2 ARG A 98 81.041 49.160 -29.185 1.00 0.00 N ATOM 0 H ARG A 98 79.293 49.854 -22.269 1.00 0.00 H new ATOM 0 HA ARG A 98 78.389 49.126 -24.928 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.755 48.190 -23.232 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.544 47.876 -24.944 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.998 50.606 -23.673 1.00 0.00 H new ATOM 0 HG3 ARG A 98 82.194 49.662 -24.539 1.00 0.00 H new ATOM 0 HD2 ARG A 98 79.648 50.796 -25.774 1.00 0.00 H new ATOM 0 HD3 ARG A 98 81.237 51.523 -25.905 1.00 0.00 H new ATOM 0 HE ARG A 98 81.489 48.844 -26.800 1.00 0.00 H new ATOM 0 HH11 ARG A 98 79.785 51.747 -27.877 1.00 0.00 H new ATOM 0 HH12 ARG A 98 79.849 51.242 -29.569 1.00 0.00 H new ATOM 0 HH21 ARG A 98 81.542 48.302 -28.955 1.00 0.00 H new ATOM 0 HH22 ARG A 98 80.805 49.369 -30.155 1.00 0.00 H new ATOM 1245 N LEU A 99 77.937 46.627 -24.764 1.00 0.00 N ATOM 1246 CA LEU A 99 77.253 45.326 -24.763 1.00 0.00 C ATOM 1247 C LEU A 99 77.996 44.349 -25.693 1.00 0.00 C ATOM 1248 O LEU A 99 78.287 44.688 -26.842 1.00 0.00 O ATOM 1249 CB LEU A 99 75.806 45.597 -25.223 1.00 0.00 C ATOM 1250 CG LEU A 99 74.747 44.477 -25.208 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.945 43.522 -26.389 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.652 43.743 -23.873 1.00 0.00 C ATOM 0 H LEU A 99 78.226 46.904 -25.702 1.00 0.00 H new ATOM 0 HA LEU A 99 77.242 44.861 -23.777 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.421 46.409 -24.606 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.860 45.972 -26.245 1.00 0.00 H new ATOM 0 HG LEU A 99 73.778 44.962 -25.328 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.186 42.741 -26.356 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.856 44.076 -27.324 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.935 43.069 -26.329 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.887 42.969 -23.937 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.613 43.285 -23.641 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.388 44.450 -23.087 1.00 0.00 H new ATOM 1264 N ASP A 100 78.297 43.140 -25.210 1.00 0.00 N ATOM 1265 CA ASP A 100 78.942 42.076 -25.997 1.00 0.00 C ATOM 1266 C ASP A 100 78.392 40.691 -25.608 1.00 0.00 C ATOM 1267 O ASP A 100 78.327 40.351 -24.425 1.00 0.00 O ATOM 1268 CB ASP A 100 80.470 42.149 -25.812 1.00 0.00 C ATOM 1269 CG ASP A 100 81.272 41.225 -26.754 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.675 40.502 -27.588 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.524 41.240 -26.664 1.00 0.00 O ATOM 0 H ASP A 100 78.098 42.865 -24.248 1.00 0.00 H new ATOM 0 HA ASP A 100 78.714 42.226 -27.052 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.794 43.178 -25.970 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.711 41.893 -24.780 1.00 0.00 H new ATOM 1276 N MET A 101 77.985 39.902 -26.609 1.00 0.00 N ATOM 1277 CA MET A 101 77.426 38.549 -26.457 1.00 0.00 C ATOM 1278 C MET A 101 78.185 37.487 -27.284 1.00 0.00 C ATOM 1279 O MET A 101 77.695 36.367 -27.453 1.00 0.00 O ATOM 1280 CB MET A 101 75.922 38.573 -26.783 1.00 0.00 C ATOM 1281 CG MET A 101 75.131 39.499 -25.851 1.00 0.00 C ATOM 1282 SD MET A 101 73.367 39.564 -26.246 1.00 0.00 S ATOM 1283 CE MET A 101 72.807 40.759 -25.008 1.00 0.00 C ATOM 0 H MET A 101 78.037 40.197 -27.584 1.00 0.00 H new ATOM 0 HA MET A 101 77.556 38.246 -25.418 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.783 38.897 -27.814 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.522 37.562 -26.710 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.255 39.161 -24.822 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.547 40.505 -25.908 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.871 40.415 -24.567 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.562 40.855 -24.228 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.650 41.728 -25.482 1.00 0.00 H new ATOM 1293 N SER A 102 79.378 37.816 -27.799 1.00 0.00 N ATOM 1294 CA SER A 102 80.289 36.842 -28.422 1.00 0.00 C ATOM 1295 C SER A 102 80.687 35.748 -27.423 1.00 0.00 C ATOM 1296 O SER A 102 80.812 36.014 -26.226 1.00 0.00 O ATOM 1297 CB SER A 102 81.539 37.559 -28.943 1.00 0.00 C ATOM 1298 OG SER A 102 82.414 36.640 -29.585 1.00 0.00 O ATOM 0 H SER A 102 79.741 38.769 -27.796 1.00 0.00 H new ATOM 0 HA SER A 102 79.771 36.369 -29.256 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.250 38.343 -29.643 1.00 0.00 H new ATOM 0 HB3 SER A 102 82.057 38.045 -28.116 1.00 0.00 H new ATOM 0 HG SER A 102 83.205 37.116 -29.913 1.00 0.00 H new ATOM 1304 N ASP A 103 80.934 34.520 -27.889 1.00 0.00 N ATOM 1305 CA ASP A 103 81.286 33.382 -27.025 1.00 0.00 C ATOM 1306 C ASP A 103 82.500 33.681 -26.124 1.00 0.00 C ATOM 1307 O ASP A 103 82.506 33.311 -24.949 1.00 0.00 O ATOM 1308 CB ASP A 103 81.561 32.145 -27.887 1.00 0.00 C ATOM 1309 CG ASP A 103 80.315 31.703 -28.672 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.439 31.020 -28.089 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.210 32.030 -29.880 1.00 0.00 O ATOM 0 H ASP A 103 80.896 34.283 -28.880 1.00 0.00 H new ATOM 0 HA ASP A 103 80.438 33.195 -26.367 1.00 0.00 H new ATOM 0 HB2 ASP A 103 82.371 32.361 -28.584 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.898 31.327 -27.250 1.00 0.00 H new ATOM 1316 N LYS A 104 83.474 34.453 -26.632 1.00 0.00 N ATOM 1317 CA LYS A 104 84.646 34.919 -25.873 1.00 0.00 C ATOM 1318 C LYS A 104 84.272 35.776 -24.658 1.00 0.00 C ATOM 1319 O LYS A 104 84.896 35.628 -23.609 1.00 0.00 O ATOM 1320 CB LYS A 104 85.602 35.682 -26.806 1.00 0.00 C ATOM 1321 CG LYS A 104 86.237 34.769 -27.868 1.00 0.00 C ATOM 1322 CD LYS A 104 87.251 35.548 -28.721 1.00 0.00 C ATOM 1323 CE LYS A 104 87.993 34.660 -29.735 1.00 0.00 C ATOM 1324 NZ LYS A 104 87.120 34.202 -30.854 1.00 0.00 N ATOM 0 H LYS A 104 83.469 34.777 -27.599 1.00 0.00 H new ATOM 0 HA LYS A 104 85.147 34.035 -25.478 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.058 36.486 -27.301 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.389 36.148 -26.213 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.733 33.929 -27.382 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.459 34.353 -28.509 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.732 36.344 -29.255 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.978 36.026 -28.065 1.00 0.00 H new ATOM 0 HE2 LYS A 104 88.839 35.213 -30.144 1.00 0.00 H new ATOM 0 HE3 LYS A 104 88.400 33.790 -29.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 87.673 33.608 -31.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 86.326 33.650 -30.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 86.751 35.028 -31.367 1.00 0.00 H new ATOM 1338 N ALA A 105 83.228 36.605 -24.748 1.00 0.00 N ATOM 1339 CA ALA A 105 82.718 37.385 -23.614 1.00 0.00 C ATOM 1340 C ALA A 105 82.208 36.472 -22.489 1.00 0.00 C ATOM 1341 O ALA A 105 82.506 36.699 -21.317 1.00 0.00 O ATOM 1342 CB ALA A 105 81.639 38.364 -24.101 1.00 0.00 C ATOM 0 H ALA A 105 82.710 36.755 -25.613 1.00 0.00 H new ATOM 0 HA ALA A 105 83.536 37.967 -23.189 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.263 38.941 -23.256 1.00 0.00 H new ATOM 0 HB2 ALA A 105 82.068 39.040 -24.840 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.819 37.806 -24.553 1.00 0.00 H new ATOM 1348 N ILE A 106 81.513 35.393 -22.853 1.00 0.00 N ATOM 1349 CA ILE A 106 80.955 34.425 -21.905 1.00 0.00 C ATOM 1350 C ILE A 106 82.084 33.596 -21.287 1.00 0.00 C ATOM 1351 O ILE A 106 82.155 33.510 -20.066 1.00 0.00 O ATOM 1352 CB ILE A 106 79.846 33.588 -22.585 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.525 34.385 -22.696 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.533 32.292 -21.814 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.584 35.702 -23.484 1.00 0.00 C ATOM 0 H ILE A 106 81.319 35.163 -23.828 1.00 0.00 H new ATOM 0 HA ILE A 106 80.468 34.937 -21.076 1.00 0.00 H new ATOM 0 HB ILE A 106 80.234 33.343 -23.574 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.777 33.743 -23.161 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.174 34.606 -21.688 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.748 31.741 -22.332 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.431 31.677 -21.756 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.198 32.540 -20.807 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.598 36.167 -23.490 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.300 36.376 -23.013 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.896 35.499 -24.508 1.00 0.00 H new ATOM 1367 N PHE A 107 83.020 33.079 -22.090 1.00 0.00 N ATOM 1368 CA PHE A 107 84.201 32.355 -21.588 1.00 0.00 C ATOM 1369 C PHE A 107 85.014 33.181 -20.575 1.00 0.00 C ATOM 1370 O PHE A 107 85.408 32.673 -19.524 1.00 0.00 O ATOM 1371 CB PHE A 107 85.148 32.001 -22.745 1.00 0.00 C ATOM 1372 CG PHE A 107 84.619 31.177 -23.902 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.513 30.313 -23.770 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.295 31.262 -25.133 1.00 0.00 C ATOM 1375 CE1 PHE A 107 83.093 29.535 -24.864 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.872 30.489 -26.229 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.774 29.620 -26.092 1.00 0.00 C ATOM 0 H PHE A 107 82.984 33.149 -23.107 1.00 0.00 H new ATOM 0 HA PHE A 107 83.816 31.460 -21.099 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.531 32.936 -23.155 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.999 31.466 -22.322 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.988 30.248 -22.828 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.142 31.924 -25.237 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.247 28.872 -24.761 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.389 30.562 -27.174 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.454 29.018 -26.930 1.00 0.00 H new ATOM 1387 N ARG A 108 85.278 34.455 -20.895 1.00 0.00 N ATOM 1388 CA ARG A 108 86.159 35.339 -20.126 1.00 0.00 C ATOM 1389 C ARG A 108 85.489 35.863 -18.850 1.00 0.00 C ATOM 1390 O ARG A 108 86.140 35.917 -17.806 1.00 0.00 O ATOM 1391 CB ARG A 108 86.644 36.421 -21.110 1.00 0.00 C ATOM 1392 CG ARG A 108 87.887 37.202 -20.669 1.00 0.00 C ATOM 1393 CD ARG A 108 87.611 38.368 -19.711 1.00 0.00 C ATOM 1394 NE ARG A 108 88.850 39.121 -19.426 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.976 40.177 -18.639 1.00 0.00 C ATOM 1396 NH1 ARG A 108 87.962 40.695 -18.003 1.00 0.00 N ATOM 1397 NH2 ARG A 108 90.140 40.739 -18.476 1.00 0.00 N ATOM 0 H ARG A 108 84.875 34.908 -21.715 1.00 0.00 H new ATOM 0 HA ARG A 108 87.026 34.811 -19.729 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.855 35.948 -22.069 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.831 37.128 -21.275 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.580 36.512 -20.188 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.388 37.590 -21.556 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.868 39.035 -20.148 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.190 37.987 -18.780 1.00 0.00 H new ATOM 0 HE ARG A 108 89.699 38.791 -19.885 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.033 40.285 -18.104 1.00 0.00 H new ATOM 0 HH12 ARG A 108 88.098 41.510 -17.405 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.959 40.365 -18.956 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.233 41.553 -17.868 1.00 0.00 H new ATOM 1411 N ARG A 109 84.188 36.187 -18.900 1.00 0.00 N ATOM 1412 CA ARG A 109 83.399 36.608 -17.722 1.00 0.00 C ATOM 1413 C ARG A 109 83.027 35.430 -16.807 1.00 0.00 C ATOM 1414 O ARG A 109 83.046 35.574 -15.585 1.00 0.00 O ATOM 1415 CB ARG A 109 82.155 37.379 -18.206 1.00 0.00 C ATOM 1416 CG ARG A 109 81.433 38.098 -17.055 1.00 0.00 C ATOM 1417 CD ARG A 109 80.238 38.934 -17.532 1.00 0.00 C ATOM 1418 NE ARG A 109 80.660 40.122 -18.308 1.00 0.00 N ATOM 1419 CZ ARG A 109 80.020 41.274 -18.420 1.00 0.00 C ATOM 1420 NH1 ARG A 109 78.883 41.498 -17.822 1.00 0.00 N ATOM 1421 NH2 ARG A 109 80.518 42.233 -19.146 1.00 0.00 N ATOM 0 H ARG A 109 83.646 36.165 -19.764 1.00 0.00 H new ATOM 0 HA ARG A 109 84.014 37.265 -17.107 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.452 38.109 -18.959 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.466 36.686 -18.689 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.088 37.360 -16.331 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.140 38.746 -16.537 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.585 38.314 -18.147 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.654 39.254 -16.669 1.00 0.00 H new ATOM 0 HE ARG A 109 81.543 40.043 -18.813 1.00 0.00 H new ATOM 0 HH11 ARG A 109 78.459 40.772 -17.245 1.00 0.00 H new ATOM 0 HH12 ARG A 109 78.418 42.399 -17.931 1.00 0.00 H new ATOM 0 HH21 ARG A 109 81.405 42.097 -19.631 1.00 0.00 H new ATOM 0 HH22 ARG A 109 80.021 43.120 -19.230 1.00 0.00 H new ATOM 1435 N TYR A 110 82.726 34.273 -17.398 1.00 0.00 N ATOM 1436 CA TYR A 110 82.214 33.071 -16.734 1.00 0.00 C ATOM 1437 C TYR A 110 83.069 31.836 -17.106 1.00 0.00 C ATOM 1438 O TYR A 110 82.704 31.072 -18.004 1.00 0.00 O ATOM 1439 CB TYR A 110 80.730 32.897 -17.108 1.00 0.00 C ATOM 1440 CG TYR A 110 79.844 34.096 -16.827 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.744 34.619 -15.523 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.124 34.694 -17.879 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.938 35.749 -15.280 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.301 35.812 -17.635 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.206 36.341 -16.329 1.00 0.00 C ATOM 1446 OH TYR A 110 77.410 37.416 -16.073 1.00 0.00 O ATOM 0 H TYR A 110 82.838 34.141 -18.403 1.00 0.00 H new ATOM 0 HA TYR A 110 82.285 33.176 -15.651 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.666 32.660 -18.170 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.334 32.039 -16.565 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.284 34.155 -14.711 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.203 34.294 -18.879 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.881 36.164 -14.284 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.745 36.262 -18.444 1.00 0.00 H new ATOM 0 HH TYR A 110 76.975 37.706 -16.902 1.00 0.00 H new ATOM 1456 N PRO A 111 84.216 31.607 -16.432 1.00 0.00 N ATOM 1457 CA PRO A 111 85.177 30.566 -16.820 1.00 0.00 C ATOM 1458 C PRO A 111 84.644 29.130 -16.673 1.00 0.00 C ATOM 1459 O PRO A 111 85.152 28.218 -17.327 1.00 0.00 O ATOM 1460 CB PRO A 111 86.418 30.816 -15.955 1.00 0.00 C ATOM 1461 CG PRO A 111 85.862 31.525 -14.720 1.00 0.00 C ATOM 1462 CD PRO A 111 84.728 32.367 -15.300 1.00 0.00 C ATOM 0 HA PRO A 111 85.397 30.637 -17.885 1.00 0.00 H new ATOM 0 HB2 PRO A 111 86.916 29.883 -15.691 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.151 31.433 -16.475 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.500 30.817 -13.975 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.617 32.142 -14.233 1.00 0.00 H new ATOM 0 HD2 PRO A 111 83.948 32.539 -14.558 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.089 33.346 -15.616 1.00 0.00 H new ATOM 1470 N HIS A 112 83.591 28.917 -15.871 1.00 0.00 N ATOM 1471 CA HIS A 112 82.892 27.629 -15.760 1.00 0.00 C ATOM 1472 C HIS A 112 82.043 27.287 -17.001 1.00 0.00 C ATOM 1473 O HIS A 112 81.732 26.117 -17.234 1.00 0.00 O ATOM 1474 CB HIS A 112 82.026 27.646 -14.495 1.00 0.00 C ATOM 1475 CG HIS A 112 80.766 28.474 -14.600 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.682 29.815 -14.998 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.511 28.007 -14.346 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.372 30.125 -14.949 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.659 29.068 -14.543 1.00 0.00 N ATOM 0 H HIS A 112 83.196 29.643 -15.274 1.00 0.00 H new ATOM 0 HA HIS A 112 83.646 26.845 -15.695 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.751 26.621 -14.246 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.625 28.025 -13.667 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.240 27.004 -14.049 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.956 31.089 -15.201 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.649 29.052 -14.403 1.00 0.00 H new ATOM 1487 N LEU A 113 81.688 28.298 -17.801 1.00 0.00 N ATOM 1488 CA LEU A 113 80.868 28.219 -19.005 1.00 0.00 C ATOM 1489 C LEU A 113 81.691 28.023 -20.304 1.00 0.00 C ATOM 1490 O LEU A 113 81.114 27.908 -21.389 1.00 0.00 O ATOM 1491 CB LEU A 113 79.986 29.490 -19.021 1.00 0.00 C ATOM 1492 CG LEU A 113 78.474 29.264 -19.156 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.148 28.624 -20.499 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.893 28.400 -18.044 1.00 0.00 C ATOM 0 H LEU A 113 81.988 29.254 -17.608 1.00 0.00 H new ATOM 0 HA LEU A 113 80.244 27.325 -18.978 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.169 30.045 -18.101 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.313 30.123 -19.846 1.00 0.00 H new ATOM 0 HG LEU A 113 78.016 30.250 -19.081 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.072 28.471 -20.577 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.481 29.279 -21.304 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.658 27.664 -20.578 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.821 28.280 -18.199 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.373 27.422 -18.055 1.00 0.00 H new ATOM 0 HD23 LEU A 113 78.068 28.880 -17.081 1.00 0.00 H new ATOM 1506 N ARG A 114 83.029 27.966 -20.206 1.00 0.00 N ATOM 1507 CA ARG A 114 83.938 27.596 -21.307 1.00 0.00 C ATOM 1508 C ARG A 114 83.920 26.081 -21.557 1.00 0.00 C ATOM 1509 O ARG A 114 83.979 25.291 -20.587 1.00 0.00 O ATOM 1510 CB ARG A 114 85.348 28.159 -21.030 1.00 0.00 C ATOM 1511 CG ARG A 114 86.281 28.251 -22.258 1.00 0.00 C ATOM 1512 CD ARG A 114 87.293 27.103 -22.414 1.00 0.00 C ATOM 1513 NE ARG A 114 86.654 25.851 -22.839 1.00 0.00 N ATOM 1514 CZ ARG A 114 87.209 24.679 -23.048 1.00 0.00 C ATOM 1515 NH1 ARG A 114 88.493 24.480 -22.956 1.00 0.00 N ATOM 1516 NH2 ARG A 114 86.447 23.673 -23.357 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.886 25.682 -22.745 1.00 0.00 O ATOM 0 H ARG A 114 83.522 28.181 -19.339 1.00 0.00 H new ATOM 0 HA ARG A 114 83.590 28.048 -22.236 1.00 0.00 H new ATOM 0 HB2 ARG A 114 85.244 29.155 -20.599 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.828 27.534 -20.277 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.666 28.293 -23.157 1.00 0.00 H new ATOM 0 HG3 ARG A 114 86.831 29.191 -22.204 1.00 0.00 H new ATOM 0 HD2 ARG A 114 88.052 27.387 -23.143 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.806 26.943 -21.466 1.00 0.00 H new ATOM 0 HE ARG A 114 85.647 25.898 -22.992 1.00 0.00 H new ATOM 0 HH11 ARG A 114 89.113 25.253 -22.713 1.00 0.00 H new ATOM 0 HH12 ARG A 114 88.879 23.551 -23.127 1.00 0.00 H new ATOM 0 HH21 ARG A 114 85.438 23.802 -23.433 1.00 0.00 H new ATOM 0 HH22 ARG A 114 86.858 22.754 -23.523 1.00 0.00 H new