USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 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=-0.84,f=-1.1) USER MOD Set 1.2: A 112 HIS : no HD1:sc= -0.839 K(o=-0.84,f=-3.2) 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 -44:sc= 0.0201 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.306 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+ -168:sc= 1.24 (180deg=0.915) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -125:sc= -3.36! (180deg=-5.64!) 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= -0.0524 USER MOD ----------------------------------------------------------------- ATOM 171 N SER A 28 38.814 15.288 -86.271 1.00 0.00 N ATOM 172 CA SER A 28 39.931 15.785 -85.447 1.00 0.00 C ATOM 173 C SER A 28 39.564 17.138 -84.809 1.00 0.00 C ATOM 174 O SER A 28 38.828 17.924 -85.413 1.00 0.00 O ATOM 175 CB SER A 28 41.194 15.940 -86.305 1.00 0.00 C ATOM 176 OG SER A 28 42.312 16.251 -85.486 1.00 0.00 O ATOM 0 HA SER A 28 40.126 15.062 -84.655 1.00 0.00 H new ATOM 0 HB2 SER A 28 41.383 15.018 -86.855 1.00 0.00 H new ATOM 0 HB3 SER A 28 41.046 16.728 -87.044 1.00 0.00 H new ATOM 0 HG SER A 28 43.111 16.345 -86.045 1.00 0.00 H new ATOM 182 N VAL A 29 40.055 17.413 -83.593 1.00 0.00 N ATOM 183 CA VAL A 29 39.751 18.630 -82.807 1.00 0.00 C ATOM 184 C VAL A 29 40.980 19.188 -82.069 1.00 0.00 C ATOM 185 O VAL A 29 41.891 18.441 -81.699 1.00 0.00 O ATOM 186 CB VAL A 29 38.595 18.404 -81.803 1.00 0.00 C ATOM 187 CG1 VAL A 29 37.257 18.166 -82.511 1.00 0.00 C ATOM 188 CG2 VAL A 29 38.840 17.244 -80.829 1.00 0.00 C ATOM 0 H VAL A 29 40.693 16.781 -83.110 1.00 0.00 H new ATOM 0 HA VAL A 29 39.435 19.373 -83.540 1.00 0.00 H new ATOM 0 HB VAL A 29 38.555 19.329 -81.228 1.00 0.00 H new ATOM 0 HG11 VAL A 29 36.474 18.012 -81.768 1.00 0.00 H new ATOM 0 HG12 VAL A 29 37.010 19.033 -83.124 1.00 0.00 H new ATOM 0 HG13 VAL A 29 37.333 17.283 -83.146 1.00 0.00 H new ATOM 0 HG21 VAL A 29 37.987 17.147 -80.157 1.00 0.00 H new ATOM 0 HG22 VAL A 29 38.967 16.318 -81.390 1.00 0.00 H new ATOM 0 HG23 VAL A 29 39.740 17.442 -80.247 1.00 0.00 H new ATOM 198 N SER A 30 40.970 20.504 -81.821 1.00 0.00 N ATOM 199 CA SER A 30 42.018 21.260 -81.105 1.00 0.00 C ATOM 200 C SER A 30 41.411 22.336 -80.187 1.00 0.00 C ATOM 201 O SER A 30 40.300 22.815 -80.433 1.00 0.00 O ATOM 202 CB SER A 30 42.973 21.939 -82.103 1.00 0.00 C ATOM 203 OG SER A 30 43.649 20.983 -82.912 1.00 0.00 O ATOM 0 H SER A 30 40.201 21.101 -82.125 1.00 0.00 H new ATOM 0 HA SER A 30 42.568 20.544 -80.494 1.00 0.00 H new ATOM 0 HB2 SER A 30 42.410 22.622 -82.739 1.00 0.00 H new ATOM 0 HB3 SER A 30 43.703 22.538 -81.559 1.00 0.00 H new ATOM 0 HG SER A 30 44.246 21.446 -83.536 1.00 0.00 H new ATOM 209 N PHE A 31 42.146 22.744 -79.143 1.00 0.00 N ATOM 210 CA PHE A 31 41.728 23.773 -78.176 1.00 0.00 C ATOM 211 C PHE A 31 42.894 24.721 -77.828 1.00 0.00 C ATOM 212 O PHE A 31 43.527 24.622 -76.776 1.00 0.00 O ATOM 213 CB PHE A 31 41.102 23.086 -76.949 1.00 0.00 C ATOM 214 CG PHE A 31 40.435 24.045 -75.977 1.00 0.00 C ATOM 215 CD1 PHE A 31 39.195 24.628 -76.305 1.00 0.00 C ATOM 216 CD2 PHE A 31 41.047 24.361 -74.748 1.00 0.00 C ATOM 217 CE1 PHE A 31 38.572 25.520 -75.413 1.00 0.00 C ATOM 218 CE2 PHE A 31 40.425 25.253 -73.856 1.00 0.00 C ATOM 219 CZ PHE A 31 39.187 25.832 -74.187 1.00 0.00 C ATOM 0 H PHE A 31 43.069 22.360 -78.941 1.00 0.00 H new ATOM 0 HA PHE A 31 40.964 24.413 -78.618 1.00 0.00 H new ATOM 0 HB2 PHE A 31 40.365 22.359 -77.289 1.00 0.00 H new ATOM 0 HB3 PHE A 31 41.877 22.531 -76.421 1.00 0.00 H new ATOM 0 HD1 PHE A 31 38.721 24.389 -77.245 1.00 0.00 H new ATOM 0 HD2 PHE A 31 41.997 23.917 -74.490 1.00 0.00 H new ATOM 0 HE1 PHE A 31 37.622 25.965 -75.669 1.00 0.00 H new ATOM 0 HE2 PHE A 31 40.899 25.494 -72.916 1.00 0.00 H new ATOM 0 HZ PHE A 31 38.709 26.515 -73.501 1.00 0.00 H new ATOM 229 N GLY A 32 43.197 25.649 -78.742 1.00 0.00 N ATOM 230 CA GLY A 32 44.283 26.638 -78.630 1.00 0.00 C ATOM 231 C GLY A 32 43.954 27.852 -77.746 1.00 0.00 C ATOM 232 O GLY A 32 44.217 28.988 -78.147 1.00 0.00 O ATOM 0 H GLY A 32 42.675 25.738 -79.614 1.00 0.00 H new ATOM 0 HA2 GLY A 32 45.168 26.143 -78.230 1.00 0.00 H new ATOM 0 HA3 GLY A 32 44.540 26.991 -79.629 1.00 0.00 H new ATOM 236 N ALA A 33 43.341 27.627 -76.577 1.00 0.00 N ATOM 237 CA ALA A 33 42.810 28.666 -75.685 1.00 0.00 C ATOM 238 C ALA A 33 43.258 28.484 -74.209 1.00 0.00 C ATOM 239 O ALA A 33 42.428 28.181 -73.341 1.00 0.00 O ATOM 240 CB ALA A 33 41.286 28.704 -75.873 1.00 0.00 C ATOM 0 H ALA A 33 43.196 26.685 -76.214 1.00 0.00 H new ATOM 0 HA ALA A 33 43.226 29.637 -75.953 1.00 0.00 H new ATOM 0 HB1 ALA A 33 40.858 29.467 -75.223 1.00 0.00 H new ATOM 0 HB2 ALA A 33 41.053 28.939 -76.911 1.00 0.00 H new ATOM 0 HB3 ALA A 33 40.864 27.732 -75.618 1.00 0.00 H new ATOM 246 N PRO A 34 44.563 28.649 -73.896 1.00 0.00 N ATOM 247 CA PRO A 34 45.080 28.623 -72.525 1.00 0.00 C ATOM 248 C PRO A 34 44.673 29.872 -71.713 1.00 0.00 C ATOM 249 O PRO A 34 44.262 30.894 -72.274 1.00 0.00 O ATOM 250 CB PRO A 34 46.600 28.519 -72.684 1.00 0.00 C ATOM 251 CG PRO A 34 46.860 29.299 -73.972 1.00 0.00 C ATOM 252 CD PRO A 34 45.645 28.943 -74.830 1.00 0.00 C ATOM 0 HA PRO A 34 44.666 27.788 -71.960 1.00 0.00 H new ATOM 0 HB2 PRO A 34 47.126 28.954 -71.834 1.00 0.00 H new ATOM 0 HB3 PRO A 34 46.928 27.483 -72.765 1.00 0.00 H new ATOM 0 HG2 PRO A 34 46.927 30.372 -73.790 1.00 0.00 H new ATOM 0 HG3 PRO A 34 47.794 28.998 -74.447 1.00 0.00 H new ATOM 0 HD2 PRO A 34 45.378 29.769 -75.489 1.00 0.00 H new ATOM 0 HD3 PRO A 34 45.855 28.083 -75.466 1.00 0.00 H new ATOM 260 N SER A 35 44.844 29.800 -70.385 1.00 0.00 N ATOM 261 CA SER A 35 44.497 30.871 -69.428 1.00 0.00 C ATOM 262 C SER A 35 45.664 31.202 -68.469 1.00 0.00 C ATOM 263 O SER A 35 45.570 30.932 -67.265 1.00 0.00 O ATOM 264 CB SER A 35 43.217 30.497 -68.657 1.00 0.00 C ATOM 265 OG SER A 35 42.111 30.339 -69.540 1.00 0.00 O ATOM 0 H SER A 35 45.237 28.976 -69.931 1.00 0.00 H new ATOM 0 HA SER A 35 44.306 31.780 -69.999 1.00 0.00 H new ATOM 0 HB2 SER A 35 43.380 29.572 -68.104 1.00 0.00 H new ATOM 0 HB3 SER A 35 42.992 31.271 -67.923 1.00 0.00 H new ATOM 0 HG SER A 35 41.312 30.100 -69.025 1.00 0.00 H new ATOM 271 N PRO A 36 46.789 31.756 -68.973 1.00 0.00 N ATOM 272 CA PRO A 36 47.941 32.143 -68.151 1.00 0.00 C ATOM 273 C PRO A 36 47.655 33.370 -67.261 1.00 0.00 C ATOM 274 O PRO A 36 46.761 34.174 -67.543 1.00 0.00 O ATOM 275 CB PRO A 36 49.067 32.420 -69.154 1.00 0.00 C ATOM 276 CG PRO A 36 48.314 32.937 -70.379 1.00 0.00 C ATOM 277 CD PRO A 36 47.036 32.101 -70.369 1.00 0.00 C ATOM 0 HA PRO A 36 48.202 31.354 -67.445 1.00 0.00 H new ATOM 0 HB2 PRO A 36 49.774 33.157 -68.774 1.00 0.00 H new ATOM 0 HB3 PRO A 36 49.637 31.519 -69.381 1.00 0.00 H new ATOM 0 HG2 PRO A 36 48.100 34.003 -70.302 1.00 0.00 H new ATOM 0 HG3 PRO A 36 48.885 32.792 -71.296 1.00 0.00 H new ATOM 0 HD2 PRO A 36 46.200 32.663 -70.785 1.00 0.00 H new ATOM 0 HD3 PRO A 36 47.152 31.204 -70.977 1.00 0.00 H new ATOM 285 N LEU A 37 48.451 33.535 -66.196 1.00 0.00 N ATOM 286 CA LEU A 37 48.392 34.673 -65.266 1.00 0.00 C ATOM 287 C LEU A 37 49.795 35.040 -64.737 1.00 0.00 C ATOM 288 O LEU A 37 50.531 34.174 -64.261 1.00 0.00 O ATOM 289 CB LEU A 37 47.420 34.319 -64.120 1.00 0.00 C ATOM 290 CG LEU A 37 47.207 35.425 -63.068 1.00 0.00 C ATOM 291 CD1 LEU A 37 46.555 36.680 -63.657 1.00 0.00 C ATOM 292 CD2 LEU A 37 46.304 34.908 -61.948 1.00 0.00 C ATOM 0 H LEU A 37 49.176 32.861 -65.950 1.00 0.00 H new ATOM 0 HA LEU A 37 48.024 35.556 -65.788 1.00 0.00 H new ATOM 0 HB2 LEU A 37 46.453 34.062 -64.553 1.00 0.00 H new ATOM 0 HB3 LEU A 37 47.790 33.427 -63.615 1.00 0.00 H new ATOM 0 HG LEU A 37 48.195 35.691 -62.692 1.00 0.00 H new ATOM 0 HD11 LEU A 37 46.428 37.426 -62.873 1.00 0.00 H new ATOM 0 HD12 LEU A 37 47.191 37.085 -64.444 1.00 0.00 H new ATOM 0 HD13 LEU A 37 45.581 36.423 -64.074 1.00 0.00 H new ATOM 0 HD21 LEU A 37 46.157 35.694 -61.207 1.00 0.00 H new ATOM 0 HD22 LEU A 37 45.340 34.616 -62.364 1.00 0.00 H new ATOM 0 HD23 LEU A 37 46.771 34.045 -61.473 1.00 0.00 H new ATOM 304 N SER A 38 50.145 36.330 -64.802 1.00 0.00 N ATOM 305 CA SER A 38 51.462 36.875 -64.405 1.00 0.00 C ATOM 306 C SER A 38 51.389 38.262 -63.728 1.00 0.00 C ATOM 307 O SER A 38 52.385 38.985 -63.652 1.00 0.00 O ATOM 308 CB SER A 38 52.383 36.902 -65.637 1.00 0.00 C ATOM 309 OG SER A 38 51.820 37.697 -66.677 1.00 0.00 O ATOM 0 H SER A 38 49.506 37.049 -65.141 1.00 0.00 H new ATOM 0 HA SER A 38 51.872 36.213 -63.642 1.00 0.00 H new ATOM 0 HB2 SER A 38 53.359 37.300 -65.358 1.00 0.00 H new ATOM 0 HB3 SER A 38 52.544 35.886 -65.997 1.00 0.00 H new ATOM 0 HG SER A 38 52.424 37.701 -67.449 1.00 0.00 H new ATOM 315 N SER A 39 50.204 38.653 -63.231 1.00 0.00 N ATOM 316 CA SER A 39 49.889 40.030 -62.797 1.00 0.00 C ATOM 317 C SER A 39 50.192 40.322 -61.309 1.00 0.00 C ATOM 318 O SER A 39 49.927 41.424 -60.818 1.00 0.00 O ATOM 319 CB SER A 39 48.426 40.338 -63.154 1.00 0.00 C ATOM 320 OG SER A 39 48.210 41.734 -63.317 1.00 0.00 O ATOM 0 H SER A 39 49.420 38.010 -63.116 1.00 0.00 H new ATOM 0 HA SER A 39 50.559 40.700 -63.336 1.00 0.00 H new ATOM 0 HB2 SER A 39 48.158 39.818 -64.074 1.00 0.00 H new ATOM 0 HB3 SER A 39 47.772 39.957 -62.370 1.00 0.00 H new ATOM 0 HG SER A 39 48.660 42.221 -62.596 1.00 0.00 H new ATOM 326 N GLU A 40 50.744 39.353 -60.568 1.00 0.00 N ATOM 327 CA GLU A 40 51.021 39.452 -59.126 1.00 0.00 C ATOM 328 C GLU A 40 52.400 38.867 -58.763 1.00 0.00 C ATOM 329 O GLU A 40 52.709 37.718 -59.098 1.00 0.00 O ATOM 330 CB GLU A 40 49.870 38.775 -58.361 1.00 0.00 C ATOM 331 CG GLU A 40 50.014 38.781 -56.830 1.00 0.00 C ATOM 332 CD GLU A 40 50.654 37.482 -56.293 1.00 0.00 C ATOM 333 OE1 GLU A 40 49.991 36.415 -56.326 1.00 0.00 O ATOM 334 OE2 GLU A 40 51.807 37.529 -55.801 1.00 0.00 O ATOM 0 H GLU A 40 51.018 38.454 -60.964 1.00 0.00 H new ATOM 0 HA GLU A 40 51.070 40.501 -58.834 1.00 0.00 H new ATOM 0 HB2 GLU A 40 48.937 39.272 -58.625 1.00 0.00 H new ATOM 0 HB3 GLU A 40 49.787 37.742 -58.699 1.00 0.00 H new ATOM 0 HG2 GLU A 40 50.622 39.634 -56.528 1.00 0.00 H new ATOM 0 HG3 GLU A 40 49.032 38.913 -56.376 1.00 0.00 H new ATOM 341 N SER A 41 53.205 39.672 -58.060 1.00 0.00 N ATOM 342 CA SER A 41 54.555 39.361 -57.566 1.00 0.00 C ATOM 343 C SER A 41 54.725 39.864 -56.118 1.00 0.00 C ATOM 344 O SER A 41 55.541 40.744 -55.829 1.00 0.00 O ATOM 345 CB SER A 41 55.626 39.963 -58.494 1.00 0.00 C ATOM 346 OG SER A 41 55.565 39.405 -59.803 1.00 0.00 O ATOM 0 H SER A 41 52.915 40.616 -57.804 1.00 0.00 H new ATOM 0 HA SER A 41 54.686 38.279 -57.566 1.00 0.00 H new ATOM 0 HB2 SER A 41 55.491 41.043 -58.552 1.00 0.00 H new ATOM 0 HB3 SER A 41 56.615 39.788 -58.070 1.00 0.00 H new ATOM 0 HG SER A 41 56.258 39.812 -60.365 1.00 0.00 H new ATOM 352 N GLU A 42 53.922 39.315 -55.200 1.00 0.00 N ATOM 353 CA GLU A 42 53.854 39.659 -53.766 1.00 0.00 C ATOM 354 C GLU A 42 53.435 41.117 -53.456 1.00 0.00 C ATOM 355 O GLU A 42 53.668 41.619 -52.355 1.00 0.00 O ATOM 356 CB GLU A 42 55.118 39.202 -53.003 1.00 0.00 C ATOM 357 CG GLU A 42 55.396 37.699 -53.138 1.00 0.00 C ATOM 358 CD GLU A 42 56.627 37.294 -52.305 1.00 0.00 C ATOM 359 OE1 GLU A 42 57.765 37.325 -52.835 1.00 0.00 O ATOM 360 OE2 GLU A 42 56.468 36.928 -51.113 1.00 0.00 O ATOM 0 H GLU A 42 53.263 38.577 -55.447 1.00 0.00 H new ATOM 0 HA GLU A 42 53.019 39.078 -53.375 1.00 0.00 H new ATOM 0 HB2 GLU A 42 55.979 39.759 -53.373 1.00 0.00 H new ATOM 0 HB3 GLU A 42 55.007 39.451 -51.948 1.00 0.00 H new ATOM 0 HG2 GLU A 42 54.525 37.132 -52.808 1.00 0.00 H new ATOM 0 HG3 GLU A 42 55.561 37.448 -54.186 1.00 0.00 H new ATOM 367 N ASP A 43 52.768 41.793 -54.402 1.00 0.00 N ATOM 368 CA ASP A 43 52.453 43.233 -54.339 1.00 0.00 C ATOM 369 C ASP A 43 51.510 43.646 -53.194 1.00 0.00 C ATOM 370 O ASP A 43 51.541 44.789 -52.732 1.00 0.00 O ATOM 371 CB ASP A 43 51.840 43.682 -55.675 1.00 0.00 C ATOM 372 CG ASP A 43 52.774 43.431 -56.868 1.00 0.00 C ATOM 373 OD1 ASP A 43 53.667 44.274 -57.130 1.00 0.00 O ATOM 374 OD2 ASP A 43 52.601 42.392 -57.551 1.00 0.00 O ATOM 0 H ASP A 43 52.424 41.347 -55.252 1.00 0.00 H new ATOM 0 HA ASP A 43 53.403 43.728 -54.139 1.00 0.00 H new ATOM 0 HB2 ASP A 43 50.901 43.152 -55.836 1.00 0.00 H new ATOM 0 HB3 ASP A 43 51.602 44.744 -55.622 1.00 0.00 H new ATOM 379 N GLU A 44 50.680 42.707 -52.736 1.00 0.00 N ATOM 380 CA GLU A 44 49.685 42.889 -51.662 1.00 0.00 C ATOM 381 C GLU A 44 49.814 41.844 -50.527 1.00 0.00 C ATOM 382 O GLU A 44 49.002 41.810 -49.599 1.00 0.00 O ATOM 383 CB GLU A 44 48.282 42.928 -52.304 1.00 0.00 C ATOM 384 CG GLU A 44 47.237 43.685 -51.472 1.00 0.00 C ATOM 385 CD GLU A 44 45.914 43.823 -52.251 1.00 0.00 C ATOM 386 OE1 GLU A 44 45.073 42.890 -52.206 1.00 0.00 O ATOM 387 OE2 GLU A 44 45.693 44.871 -52.907 1.00 0.00 O ATOM 0 H GLU A 44 50.678 41.760 -53.114 1.00 0.00 H new ATOM 0 HA GLU A 44 49.871 43.837 -51.158 1.00 0.00 H new ATOM 0 HB2 GLU A 44 48.356 43.394 -53.287 1.00 0.00 H new ATOM 0 HB3 GLU A 44 47.936 41.906 -52.460 1.00 0.00 H new ATOM 0 HG2 GLU A 44 47.059 43.157 -50.535 1.00 0.00 H new ATOM 0 HG3 GLU A 44 47.617 44.673 -51.214 1.00 0.00 H new ATOM 631 N ALA A 61 67.058 33.948 -15.680 1.00 0.00 N ATOM 632 CA ALA A 61 68.374 33.354 -15.453 1.00 0.00 C ATOM 633 C ALA A 61 68.437 32.592 -14.116 1.00 0.00 C ATOM 634 O ALA A 61 68.152 33.159 -13.059 1.00 0.00 O ATOM 635 CB ALA A 61 69.448 34.445 -15.547 1.00 0.00 C ATOM 0 HA ALA A 61 68.564 32.612 -16.229 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.430 34.004 -15.378 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.420 34.899 -16.538 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.258 35.208 -14.792 1.00 0.00 H new ATOM 641 N ALA A 62 68.847 31.323 -14.159 1.00 0.00 N ATOM 642 CA ALA A 62 69.183 30.524 -12.981 1.00 0.00 C ATOM 643 C ALA A 62 70.634 30.789 -12.532 1.00 0.00 C ATOM 644 O ALA A 62 71.523 31.008 -13.360 1.00 0.00 O ATOM 645 CB ALA A 62 68.917 29.043 -13.276 1.00 0.00 C ATOM 0 H ALA A 62 68.957 30.811 -15.034 1.00 0.00 H new ATOM 0 HA ALA A 62 68.547 30.817 -12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.167 28.447 -12.399 1.00 0.00 H new ATOM 0 HB2 ALA A 62 67.864 28.904 -13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.531 28.724 -14.119 1.00 0.00 H new ATOM 651 N LEU A 63 70.865 30.784 -11.214 1.00 0.00 N ATOM 652 CA LEU A 63 72.120 31.230 -10.590 1.00 0.00 C ATOM 653 C LEU A 63 72.704 30.187 -9.624 1.00 0.00 C ATOM 654 O LEU A 63 71.977 29.362 -9.062 1.00 0.00 O ATOM 655 CB LEU A 63 71.896 32.563 -9.844 1.00 0.00 C ATOM 656 CG LEU A 63 71.253 33.703 -10.654 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.077 34.930 -9.758 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.092 34.126 -11.857 1.00 0.00 C ATOM 0 H LEU A 63 70.173 30.464 -10.537 1.00 0.00 H new ATOM 0 HA LEU A 63 72.843 31.369 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.269 32.366 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.859 32.911 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 63 70.298 33.323 -11.017 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.622 35.737 -10.332 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.434 34.676 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.050 35.252 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.586 34.933 -12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.068 34.472 -11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.222 33.276 -12.527 1.00 0.00 H new ATOM 670 N HIS A 64 74.011 30.275 -9.374 1.00 0.00 N ATOM 671 CA HIS A 64 74.693 29.562 -8.289 1.00 0.00 C ATOM 672 C HIS A 64 74.465 30.286 -6.953 1.00 0.00 C ATOM 673 O HIS A 64 74.530 31.515 -6.897 1.00 0.00 O ATOM 674 CB HIS A 64 76.188 29.468 -8.610 1.00 0.00 C ATOM 675 CG HIS A 64 76.529 28.535 -9.744 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.600 27.141 -9.646 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.898 28.913 -11.004 1.00 0.00 C ATOM 678 CE1 HIS A 64 77.017 26.712 -10.848 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.206 27.753 -11.679 1.00 0.00 N ATOM 0 H HIS A 64 74.639 30.855 -9.930 1.00 0.00 H new ATOM 0 HA HIS A 64 74.286 28.555 -8.199 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.557 30.464 -8.853 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.718 29.141 -7.716 1.00 0.00 H new ATOM 0 HD1 HIS A 64 76.380 26.569 -8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.940 29.920 -11.393 1.00 0.00 H new ATOM 0 HE1 HIS A 64 77.178 25.677 -11.111 1.00 0.00 H new ATOM 687 N ALA A 65 74.222 29.542 -5.870 1.00 0.00 N ATOM 688 CA ALA A 65 73.857 30.109 -4.563 1.00 0.00 C ATOM 689 C ALA A 65 75.041 30.292 -3.586 1.00 0.00 C ATOM 690 O ALA A 65 74.906 30.995 -2.583 1.00 0.00 O ATOM 691 CB ALA A 65 72.761 29.220 -3.962 1.00 0.00 C ATOM 0 H ALA A 65 74.273 28.523 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 65 73.498 31.125 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.466 29.613 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.897 29.209 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.140 28.205 -3.843 1.00 0.00 H new ATOM 697 N GLU A 66 76.190 29.661 -3.854 1.00 0.00 N ATOM 698 CA GLU A 66 77.348 29.603 -2.944 1.00 0.00 C ATOM 699 C GLU A 66 78.698 29.494 -3.687 1.00 0.00 C ATOM 700 O GLU A 66 78.744 29.261 -4.899 1.00 0.00 O ATOM 701 CB GLU A 66 77.161 28.442 -1.946 1.00 0.00 C ATOM 702 CG GLU A 66 77.131 27.048 -2.592 1.00 0.00 C ATOM 703 CD GLU A 66 76.936 25.958 -1.522 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.944 25.467 -0.956 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.773 25.574 -1.239 1.00 0.00 O ATOM 0 H GLU A 66 76.348 29.163 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 66 77.388 30.547 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.969 28.473 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.231 28.596 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.323 26.997 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 66 78.061 26.872 -3.133 1.00 0.00 H new ATOM 712 N GLY A 67 79.805 29.656 -2.951 1.00 0.00 N ATOM 713 CA GLY A 67 81.172 29.577 -3.487 1.00 0.00 C ATOM 714 C GLY A 67 81.576 30.783 -4.356 1.00 0.00 C ATOM 715 O GLY A 67 80.908 31.822 -4.327 1.00 0.00 O ATOM 0 H GLY A 67 79.777 29.849 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.872 29.490 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.267 28.667 -4.080 1.00 0.00 H new ATOM 719 N PRO A 68 82.655 30.668 -5.159 1.00 0.00 N ATOM 720 CA PRO A 68 83.170 31.774 -5.976 1.00 0.00 C ATOM 721 C PRO A 68 82.225 32.192 -7.120 1.00 0.00 C ATOM 722 O PRO A 68 82.360 33.296 -7.653 1.00 0.00 O ATOM 723 CB PRO A 68 84.524 31.282 -6.503 1.00 0.00 C ATOM 724 CG PRO A 68 84.364 29.763 -6.543 1.00 0.00 C ATOM 725 CD PRO A 68 83.494 29.487 -5.320 1.00 0.00 C ATOM 0 HA PRO A 68 83.262 32.681 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.741 31.688 -7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.342 31.582 -5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.886 29.430 -7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.325 29.252 -6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.888 28.593 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.106 29.318 -4.434 1.00 0.00 H new ATOM 733 N LEU A 69 81.252 31.341 -7.481 1.00 0.00 N ATOM 734 CA LEU A 69 80.220 31.628 -8.485 1.00 0.00 C ATOM 735 C LEU A 69 78.911 32.185 -7.894 1.00 0.00 C ATOM 736 O LEU A 69 77.952 32.350 -8.638 1.00 0.00 O ATOM 737 CB LEU A 69 79.965 30.378 -9.355 1.00 0.00 C ATOM 738 CG LEU A 69 81.170 29.864 -10.167 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.764 28.594 -10.911 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.683 30.876 -11.193 1.00 0.00 C ATOM 0 H LEU A 69 81.160 30.411 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 69 80.609 32.430 -9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.619 29.573 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.154 30.601 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 69 81.974 29.680 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.611 28.224 -11.488 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.455 27.835 -10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.936 28.816 -11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.531 30.452 -11.730 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.888 31.113 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.996 31.786 -10.681 1.00 0.00 H new ATOM 752 N ALA A 70 78.816 32.482 -6.593 1.00 0.00 N ATOM 753 CA ALA A 70 77.572 32.956 -5.985 1.00 0.00 C ATOM 754 C ALA A 70 77.008 34.208 -6.697 1.00 0.00 C ATOM 755 O ALA A 70 77.681 35.234 -6.834 1.00 0.00 O ATOM 756 CB ALA A 70 77.798 33.210 -4.490 1.00 0.00 C ATOM 0 H ALA A 70 79.594 32.401 -5.938 1.00 0.00 H new ATOM 0 HA ALA A 70 76.817 32.179 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.872 33.563 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.109 32.284 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.575 33.964 -4.362 1.00 0.00 H new ATOM 762 N GLY A 71 75.761 34.096 -7.160 1.00 0.00 N ATOM 763 CA GLY A 71 75.052 35.107 -7.957 1.00 0.00 C ATOM 764 C GLY A 71 75.375 35.104 -9.463 1.00 0.00 C ATOM 765 O GLY A 71 74.869 35.963 -10.187 1.00 0.00 O ATOM 0 H GLY A 71 75.193 33.267 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.980 34.958 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.286 36.093 -7.554 1.00 0.00 H new ATOM 769 N LEU A 72 76.197 34.163 -9.945 1.00 0.00 N ATOM 770 CA LEU A 72 76.614 34.010 -11.350 1.00 0.00 C ATOM 771 C LEU A 72 75.815 32.870 -12.046 1.00 0.00 C ATOM 772 O LEU A 72 75.186 32.065 -11.353 1.00 0.00 O ATOM 773 CB LEU A 72 78.155 33.840 -11.401 1.00 0.00 C ATOM 774 CG LEU A 72 78.996 34.879 -10.622 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.469 34.738 -11.013 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.607 36.337 -10.885 1.00 0.00 C ATOM 0 H LEU A 72 76.610 33.453 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 72 76.375 34.905 -11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.401 32.849 -11.020 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.466 33.865 -12.446 1.00 0.00 H new ATOM 0 HG LEU A 72 78.810 34.666 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.063 35.470 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.816 33.734 -10.769 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.579 34.910 -12.084 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.247 36.996 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.730 36.561 -11.945 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.567 36.493 -10.599 1.00 0.00 H new ATOM 788 N PRO A 73 75.772 32.799 -13.394 1.00 0.00 N ATOM 789 CA PRO A 73 74.809 31.987 -14.149 1.00 0.00 C ATOM 790 C PRO A 73 75.144 30.496 -14.161 1.00 0.00 C ATOM 791 O PRO A 73 76.304 30.116 -14.017 1.00 0.00 O ATOM 792 CB PRO A 73 74.846 32.538 -15.576 1.00 0.00 C ATOM 793 CG PRO A 73 76.263 33.071 -15.724 1.00 0.00 C ATOM 794 CD PRO A 73 76.639 33.512 -14.317 1.00 0.00 C ATOM 0 HA PRO A 73 73.826 32.055 -13.683 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.632 31.761 -16.310 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.106 33.325 -15.720 1.00 0.00 H new ATOM 0 HG2 PRO A 73 76.941 32.303 -16.096 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.305 33.902 -16.428 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.686 33.289 -14.111 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.515 34.589 -14.206 1.00 0.00 H new ATOM 802 N VAL A 74 74.158 29.641 -14.436 1.00 0.00 N ATOM 803 CA VAL A 74 74.377 28.191 -14.584 1.00 0.00 C ATOM 804 C VAL A 74 74.540 27.760 -16.055 1.00 0.00 C ATOM 805 O VAL A 74 75.343 26.866 -16.322 1.00 0.00 O ATOM 806 CB VAL A 74 73.280 27.398 -13.849 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.530 25.884 -13.890 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.194 27.796 -12.367 1.00 0.00 C ATOM 0 H VAL A 74 73.187 29.927 -14.563 1.00 0.00 H new ATOM 0 HA VAL A 74 75.329 27.952 -14.109 1.00 0.00 H new ATOM 0 HB VAL A 74 72.353 27.638 -14.370 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.730 25.369 -13.359 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.553 25.547 -14.926 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.485 25.660 -13.414 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.410 27.217 -11.880 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.149 27.596 -11.880 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.963 28.858 -12.288 1.00 0.00 H new ATOM 818 N THR A 75 73.856 28.401 -17.015 1.00 0.00 N ATOM 819 CA THR A 75 73.895 28.058 -18.462 1.00 0.00 C ATOM 820 C THR A 75 74.288 29.216 -19.384 1.00 0.00 C ATOM 821 O THR A 75 74.377 30.369 -18.963 1.00 0.00 O ATOM 822 CB THR A 75 72.565 27.454 -18.944 1.00 0.00 C ATOM 823 OG1 THR A 75 71.593 28.470 -19.073 1.00 0.00 O ATOM 824 CG2 THR A 75 72.078 26.343 -18.021 1.00 0.00 C ATOM 0 H THR A 75 73.244 29.191 -16.812 1.00 0.00 H new ATOM 0 HA THR A 75 74.689 27.315 -18.534 1.00 0.00 H new ATOM 0 HB THR A 75 72.734 27.001 -19.921 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.749 28.078 -19.382 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.136 25.944 -18.398 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.822 25.547 -17.986 1.00 0.00 H new ATOM 0 HG23 THR A 75 71.927 26.743 -17.018 1.00 0.00 H new ATOM 832 N ARG A 76 74.497 28.926 -20.682 1.00 0.00 N ATOM 833 CA ARG A 76 74.771 29.951 -21.716 1.00 0.00 C ATOM 834 C ARG A 76 73.588 30.909 -21.905 1.00 0.00 C ATOM 835 O ARG A 76 73.789 32.110 -22.068 1.00 0.00 O ATOM 836 CB ARG A 76 75.229 29.284 -23.034 1.00 0.00 C ATOM 837 CG ARG A 76 74.142 28.470 -23.765 1.00 0.00 C ATOM 838 CD ARG A 76 74.671 27.733 -25.002 1.00 0.00 C ATOM 839 NE ARG A 76 75.518 26.571 -24.650 1.00 0.00 N ATOM 840 CZ ARG A 76 75.922 25.615 -25.470 1.00 0.00 C ATOM 841 NH1 ARG A 76 75.626 25.618 -26.740 1.00 0.00 N ATOM 842 NH2 ARG A 76 76.639 24.621 -25.027 1.00 0.00 N ATOM 0 H ARG A 76 74.481 27.974 -21.047 1.00 0.00 H new ATOM 0 HA ARG A 76 75.596 30.574 -21.369 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.596 30.059 -23.707 1.00 0.00 H new ATOM 0 HB3 ARG A 76 76.070 28.626 -22.817 1.00 0.00 H new ATOM 0 HG2 ARG A 76 73.713 27.745 -23.073 1.00 0.00 H new ATOM 0 HG3 ARG A 76 73.336 29.139 -24.065 1.00 0.00 H new ATOM 0 HD2 ARG A 76 73.830 27.395 -25.607 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.247 28.426 -25.615 1.00 0.00 H new ATOM 0 HE ARG A 76 75.820 26.501 -23.678 1.00 0.00 H new ATOM 0 HH11 ARG A 76 75.065 26.375 -27.131 1.00 0.00 H new ATOM 0 HH12 ARG A 76 75.955 24.863 -27.342 1.00 0.00 H new ATOM 0 HH21 ARG A 76 76.893 24.576 -24.040 1.00 0.00 H new ATOM 0 HH22 ARG A 76 76.946 23.888 -25.667 1.00 0.00 H new ATOM 856 N SER A 77 72.364 30.389 -21.772 1.00 0.00 N ATOM 857 CA SER A 77 71.140 31.200 -21.735 1.00 0.00 C ATOM 858 C SER A 77 71.128 32.092 -20.491 1.00 0.00 C ATOM 859 O SER A 77 70.956 33.305 -20.614 1.00 0.00 O ATOM 860 CB SER A 77 69.903 30.297 -21.780 1.00 0.00 C ATOM 861 OG SER A 77 68.727 31.080 -21.909 1.00 0.00 O ATOM 0 H SER A 77 72.192 29.387 -21.686 1.00 0.00 H new ATOM 0 HA SER A 77 71.119 31.847 -22.612 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.980 29.604 -22.618 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.850 29.696 -20.873 1.00 0.00 H new ATOM 0 HG SER A 77 67.944 30.492 -21.938 1.00 0.00 H new ATOM 867 N ASP A 78 71.445 31.542 -19.309 1.00 0.00 N ATOM 868 CA ASP A 78 71.517 32.342 -18.080 1.00 0.00 C ATOM 869 C ASP A 78 72.563 33.465 -18.195 1.00 0.00 C ATOM 870 O ASP A 78 72.283 34.606 -17.825 1.00 0.00 O ATOM 871 CB ASP A 78 71.849 31.456 -16.873 1.00 0.00 C ATOM 872 CG ASP A 78 70.847 30.335 -16.571 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.623 30.510 -16.785 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.307 29.298 -16.044 1.00 0.00 O ATOM 0 H ASP A 78 71.654 30.552 -19.180 1.00 0.00 H new ATOM 0 HA ASP A 78 70.537 32.797 -17.936 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.829 31.007 -17.034 1.00 0.00 H new ATOM 0 HB3 ASP A 78 71.931 32.092 -15.991 1.00 0.00 H new ATOM 879 N ALA A 79 73.744 33.180 -18.762 1.00 0.00 N ATOM 880 CA ALA A 79 74.802 34.166 -18.987 1.00 0.00 C ATOM 881 C ALA A 79 74.392 35.276 -19.976 1.00 0.00 C ATOM 882 O ALA A 79 74.612 36.454 -19.687 1.00 0.00 O ATOM 883 CB ALA A 79 76.074 33.420 -19.424 1.00 0.00 C ATOM 0 H ALA A 79 73.991 32.243 -19.081 1.00 0.00 H new ATOM 0 HA ALA A 79 74.997 34.696 -18.055 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.876 34.138 -19.597 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.374 32.723 -18.642 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.875 32.870 -20.344 1.00 0.00 H new ATOM 889 N ARG A 80 73.738 34.945 -21.102 1.00 0.00 N ATOM 890 CA ARG A 80 73.240 35.948 -22.070 1.00 0.00 C ATOM 891 C ARG A 80 72.156 36.836 -21.456 1.00 0.00 C ATOM 892 O ARG A 80 72.210 38.053 -21.613 1.00 0.00 O ATOM 893 CB ARG A 80 72.780 35.234 -23.360 1.00 0.00 C ATOM 894 CG ARG A 80 72.511 36.174 -24.555 1.00 0.00 C ATOM 895 CD ARG A 80 71.090 36.764 -24.618 1.00 0.00 C ATOM 896 NE ARG A 80 70.926 37.623 -25.811 1.00 0.00 N ATOM 897 CZ ARG A 80 69.793 38.091 -26.314 1.00 0.00 C ATOM 898 NH1 ARG A 80 68.621 37.843 -25.817 1.00 0.00 N ATOM 899 NH2 ARG A 80 69.775 38.847 -27.367 1.00 0.00 N ATOM 0 H ARG A 80 73.538 33.981 -21.370 1.00 0.00 H new ATOM 0 HA ARG A 80 74.051 36.625 -22.336 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.541 34.509 -23.649 1.00 0.00 H new ATOM 0 HB3 ARG A 80 71.871 34.673 -23.144 1.00 0.00 H new ATOM 0 HG2 ARG A 80 73.227 36.995 -24.519 1.00 0.00 H new ATOM 0 HG3 ARG A 80 72.701 35.626 -25.478 1.00 0.00 H new ATOM 0 HD2 ARG A 80 70.358 35.957 -24.643 1.00 0.00 H new ATOM 0 HD3 ARG A 80 70.893 37.345 -23.717 1.00 0.00 H new ATOM 0 HE ARG A 80 71.781 37.884 -26.302 1.00 0.00 H new ATOM 0 HH11 ARG A 80 68.532 37.255 -24.988 1.00 0.00 H new ATOM 0 HH12 ARG A 80 67.788 38.236 -26.255 1.00 0.00 H new ATOM 0 HH21 ARG A 80 70.649 39.096 -27.831 1.00 0.00 H new ATOM 0 HH22 ARG A 80 68.887 39.193 -27.732 1.00 0.00 H new ATOM 913 N VAL A 81 71.211 36.249 -20.717 1.00 0.00 N ATOM 914 CA VAL A 81 70.147 36.991 -20.011 1.00 0.00 C ATOM 915 C VAL A 81 70.736 37.911 -18.949 1.00 0.00 C ATOM 916 O VAL A 81 70.350 39.075 -18.889 1.00 0.00 O ATOM 917 CB VAL A 81 69.122 36.034 -19.375 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.081 36.766 -18.516 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.360 35.293 -20.468 1.00 0.00 C ATOM 0 H VAL A 81 71.157 35.239 -20.587 1.00 0.00 H new ATOM 0 HA VAL A 81 69.630 37.601 -20.752 1.00 0.00 H new ATOM 0 HB VAL A 81 69.691 35.354 -18.741 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.384 36.042 -18.093 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.585 37.299 -17.710 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.534 37.477 -19.135 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.636 34.617 -20.013 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.838 36.012 -21.099 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.060 34.719 -21.075 1.00 0.00 H new ATOM 929 N LEU A 82 71.701 37.432 -18.158 1.00 0.00 N ATOM 930 CA LEU A 82 72.417 38.283 -17.199 1.00 0.00 C ATOM 931 C LEU A 82 73.104 39.469 -17.882 1.00 0.00 C ATOM 932 O LEU A 82 72.859 40.597 -17.466 1.00 0.00 O ATOM 933 CB LEU A 82 73.449 37.483 -16.391 1.00 0.00 C ATOM 934 CG LEU A 82 72.882 36.675 -15.214 1.00 0.00 C ATOM 935 CD1 LEU A 82 74.059 35.995 -14.523 1.00 0.00 C ATOM 936 CD2 LEU A 82 72.164 37.545 -14.179 1.00 0.00 C ATOM 0 H LEU A 82 72.006 36.459 -18.162 1.00 0.00 H new ATOM 0 HA LEU A 82 71.662 38.672 -16.516 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.962 36.798 -17.066 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.200 38.174 -16.007 1.00 0.00 H new ATOM 0 HG LEU A 82 72.151 35.970 -15.609 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.696 35.409 -13.678 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.565 35.338 -15.230 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.758 36.751 -14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.787 36.915 -13.373 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.862 38.276 -13.771 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.332 38.064 -14.654 1.00 0.00 H new ATOM 948 N ILE A 83 73.899 39.246 -18.939 1.00 0.00 N ATOM 949 CA ILE A 83 74.552 40.336 -19.691 1.00 0.00 C ATOM 950 C ILE A 83 73.511 41.357 -20.162 1.00 0.00 C ATOM 951 O ILE A 83 73.669 42.551 -19.914 1.00 0.00 O ATOM 952 CB ILE A 83 75.384 39.779 -20.873 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.646 39.080 -20.314 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.778 40.889 -21.878 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.356 38.176 -21.329 1.00 0.00 C ATOM 0 H ILE A 83 74.108 38.314 -19.297 1.00 0.00 H new ATOM 0 HA ILE A 83 75.246 40.848 -19.025 1.00 0.00 H new ATOM 0 HB ILE A 83 74.772 39.061 -21.419 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.346 39.840 -19.966 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.365 38.484 -19.446 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.360 40.454 -22.690 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.877 41.349 -22.283 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.375 41.646 -21.369 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.230 37.722 -20.863 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.673 37.393 -21.659 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.670 38.769 -22.188 1.00 0.00 H new ATOM 967 N PHE A 84 72.430 40.894 -20.799 1.00 0.00 N ATOM 968 CA PHE A 84 71.390 41.770 -21.330 1.00 0.00 C ATOM 969 C PHE A 84 70.644 42.556 -20.243 1.00 0.00 C ATOM 970 O PHE A 84 70.506 43.766 -20.373 1.00 0.00 O ATOM 971 CB PHE A 84 70.416 40.952 -22.187 1.00 0.00 C ATOM 972 CG PHE A 84 69.524 41.797 -23.079 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.102 42.702 -23.992 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.124 41.664 -23.030 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.298 43.434 -24.876 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.312 42.419 -23.901 1.00 0.00 C ATOM 977 CZ PHE A 84 67.901 43.298 -24.829 1.00 0.00 C ATOM 0 H PHE A 84 72.255 39.902 -20.959 1.00 0.00 H new ATOM 0 HA PHE A 84 71.883 42.520 -21.949 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.986 40.262 -22.809 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.790 40.347 -21.531 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.174 42.832 -24.010 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.671 40.983 -22.325 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.752 44.102 -25.593 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.237 42.323 -23.856 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.279 43.867 -25.504 1.00 0.00 H new ATOM 987 N ASN A 85 70.196 41.908 -19.163 1.00 0.00 N ATOM 988 CA ASN A 85 69.430 42.555 -18.091 1.00 0.00 C ATOM 989 C ASN A 85 70.294 43.517 -17.246 1.00 0.00 C ATOM 990 O ASN A 85 69.871 44.640 -16.957 1.00 0.00 O ATOM 991 CB ASN A 85 68.789 41.455 -17.227 1.00 0.00 C ATOM 992 CG ASN A 85 67.955 42.036 -16.096 1.00 0.00 C ATOM 993 OD1 ASN A 85 68.388 42.120 -14.956 1.00 0.00 O ATOM 994 ND2 ASN A 85 66.743 42.465 -16.373 1.00 0.00 N ATOM 0 H ASN A 85 70.355 40.913 -19.006 1.00 0.00 H new ATOM 0 HA ASN A 85 68.653 43.178 -18.533 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.161 40.822 -17.853 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.570 40.818 -16.812 1.00 0.00 H new ATOM 0 HD21 ASN A 85 66.164 42.868 -15.636 1.00 0.00 H new ATOM 0 HD22 ASN A 85 66.382 42.395 -17.324 1.00 0.00 H new ATOM 1001 N GLU A 86 71.519 43.096 -16.904 1.00 0.00 N ATOM 1002 CA GLU A 86 72.522 43.930 -16.236 1.00 0.00 C ATOM 1003 C GLU A 86 72.787 45.192 -17.058 1.00 0.00 C ATOM 1004 O GLU A 86 72.618 46.301 -16.547 1.00 0.00 O ATOM 1005 CB GLU A 86 73.822 43.126 -16.062 1.00 0.00 C ATOM 1006 CG GLU A 86 74.966 43.891 -15.389 1.00 0.00 C ATOM 1007 CD GLU A 86 76.277 43.102 -15.556 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.467 42.053 -14.900 1.00 0.00 O ATOM 1009 OE2 GLU A 86 77.132 43.483 -16.390 1.00 0.00 O ATOM 0 H GLU A 86 71.845 42.147 -17.088 1.00 0.00 H new ATOM 0 HA GLU A 86 72.150 44.227 -15.255 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.605 42.234 -15.474 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.157 42.788 -17.042 1.00 0.00 H new ATOM 0 HG2 GLU A 86 75.066 44.882 -15.832 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.748 44.036 -14.331 1.00 0.00 H new ATOM 1016 N TRP A 87 73.143 45.032 -18.338 1.00 0.00 N ATOM 1017 CA TRP A 87 73.372 46.158 -19.229 1.00 0.00 C ATOM 1018 C TRP A 87 72.118 47.016 -19.399 1.00 0.00 C ATOM 1019 O TRP A 87 72.234 48.223 -19.270 1.00 0.00 O ATOM 1020 CB TRP A 87 73.875 45.658 -20.578 1.00 0.00 C ATOM 1021 CG TRP A 87 73.930 46.701 -21.644 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.901 47.621 -21.836 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.990 46.880 -22.738 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.613 48.370 -22.961 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.462 47.931 -23.577 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.842 46.182 -23.157 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.856 48.237 -24.804 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.225 46.493 -24.376 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.721 47.515 -25.204 1.00 0.00 C ATOM 0 H TRP A 87 73.278 44.121 -18.776 1.00 0.00 H new ATOM 0 HA TRP A 87 74.133 46.794 -18.778 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.872 45.238 -20.447 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.229 44.847 -20.914 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.769 47.751 -21.207 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.181 49.149 -23.293 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.433 45.400 -22.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.257 49.018 -25.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.352 45.937 -24.685 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.233 47.743 -26.140 1.00 0.00 H new ATOM 1040 N GLU A 88 70.931 46.447 -19.615 1.00 0.00 N ATOM 1041 CA GLU A 88 69.689 47.214 -19.764 1.00 0.00 C ATOM 1042 C GLU A 88 69.424 48.141 -18.565 1.00 0.00 C ATOM 1043 O GLU A 88 69.164 49.327 -18.770 1.00 0.00 O ATOM 1044 CB GLU A 88 68.495 46.269 -19.972 1.00 0.00 C ATOM 1045 CG GLU A 88 68.278 45.856 -21.433 1.00 0.00 C ATOM 1046 CD GLU A 88 67.492 46.938 -22.203 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.090 47.947 -22.650 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.252 46.795 -22.355 1.00 0.00 O ATOM 0 H GLU A 88 70.801 45.438 -19.692 1.00 0.00 H new ATOM 0 HA GLU A 88 69.810 47.846 -20.644 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.644 45.373 -19.369 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.591 46.754 -19.604 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.242 45.690 -21.915 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.736 44.911 -21.471 1.00 0.00 H new ATOM 1055 N GLU A 89 69.536 47.659 -17.321 1.00 0.00 N ATOM 1056 CA GLU A 89 69.327 48.511 -16.136 1.00 0.00 C ATOM 1057 C GLU A 89 70.461 49.535 -15.938 1.00 0.00 C ATOM 1058 O GLU A 89 70.216 50.741 -15.786 1.00 0.00 O ATOM 1059 CB GLU A 89 69.166 47.639 -14.881 1.00 0.00 C ATOM 1060 CG GLU A 89 67.850 46.851 -14.865 1.00 0.00 C ATOM 1061 CD GLU A 89 66.636 47.786 -14.689 1.00 0.00 C ATOM 1062 OE1 GLU A 89 66.323 48.180 -13.539 1.00 0.00 O ATOM 1063 OE2 GLU A 89 65.990 48.171 -15.693 1.00 0.00 O ATOM 0 H GLU A 89 69.769 46.689 -17.106 1.00 0.00 H new ATOM 0 HA GLU A 89 68.412 49.080 -16.303 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.002 46.942 -14.820 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.214 48.273 -13.996 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.748 46.291 -15.795 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.870 46.122 -14.055 1.00 0.00 H new ATOM 1070 N ARG A 90 71.717 49.069 -16.005 1.00 0.00 N ATOM 1071 CA ARG A 90 72.902 49.935 -15.892 1.00 0.00 C ATOM 1072 C ARG A 90 72.846 51.049 -16.922 1.00 0.00 C ATOM 1073 O ARG A 90 72.952 52.210 -16.566 1.00 0.00 O ATOM 1074 CB ARG A 90 74.192 49.124 -16.086 1.00 0.00 C ATOM 1075 CG ARG A 90 74.454 48.137 -14.945 1.00 0.00 C ATOM 1076 CD ARG A 90 75.488 48.628 -13.918 1.00 0.00 C ATOM 1077 NE ARG A 90 75.227 50.004 -13.454 1.00 0.00 N ATOM 1078 CZ ARG A 90 74.473 50.424 -12.460 1.00 0.00 C ATOM 1079 NH1 ARG A 90 73.779 49.627 -11.698 1.00 0.00 N ATOM 1080 NH2 ARG A 90 74.420 51.702 -12.251 1.00 0.00 N ATOM 0 H ARG A 90 71.941 48.083 -16.139 1.00 0.00 H new ATOM 0 HA ARG A 90 72.904 50.369 -14.892 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.133 48.576 -17.027 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.036 49.808 -16.168 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.515 47.934 -14.431 1.00 0.00 H new ATOM 0 HG3 ARG A 90 74.797 47.192 -15.367 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.489 47.955 -13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 90 76.483 48.582 -14.361 1.00 0.00 H new ATOM 0 HE ARG A 90 75.700 50.738 -13.981 1.00 0.00 H new ATOM 0 HH11 ARG A 90 73.803 48.620 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 90 73.212 50.010 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 90 74.950 52.339 -12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 90 73.848 52.071 -11.491 1.00 0.00 H new ATOM 1094 N LYS A 91 72.596 50.701 -18.182 1.00 0.00 N ATOM 1095 CA LYS A 91 72.494 51.622 -19.329 1.00 0.00 C ATOM 1096 C LYS A 91 71.248 52.512 -19.293 1.00 0.00 C ATOM 1097 O LYS A 91 71.331 53.654 -19.740 1.00 0.00 O ATOM 1098 CB LYS A 91 72.599 50.821 -20.643 1.00 0.00 C ATOM 1099 CG LYS A 91 72.828 51.634 -21.931 1.00 0.00 C ATOM 1100 CD LYS A 91 71.531 51.932 -22.702 1.00 0.00 C ATOM 1101 CE LYS A 91 71.852 52.609 -24.042 1.00 0.00 C ATOM 1102 NZ LYS A 91 70.621 52.868 -24.843 1.00 0.00 N ATOM 0 H LYS A 91 72.451 49.728 -18.451 1.00 0.00 H new ATOM 0 HA LYS A 91 73.330 52.318 -19.267 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.416 50.106 -20.542 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.683 50.243 -20.764 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.315 52.575 -21.676 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.511 51.087 -22.581 1.00 0.00 H new ATOM 0 HD2 LYS A 91 70.983 51.006 -22.877 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.886 52.577 -22.106 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.370 53.550 -23.858 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.531 51.977 -24.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.880 53.326 -25.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.139 51.968 -25.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 69.983 53.492 -24.308 1.00 0.00 H new ATOM 1116 N LYS A 92 70.130 52.075 -18.696 1.00 0.00 N ATOM 1117 CA LYS A 92 69.003 52.961 -18.345 1.00 0.00 C ATOM 1118 C LYS A 92 69.461 54.078 -17.392 1.00 0.00 C ATOM 1119 O LYS A 92 69.045 55.225 -17.565 1.00 0.00 O ATOM 1120 CB LYS A 92 67.856 52.120 -17.762 1.00 0.00 C ATOM 1121 CG LYS A 92 66.564 52.914 -17.526 1.00 0.00 C ATOM 1122 CD LYS A 92 65.454 52.019 -16.947 1.00 0.00 C ATOM 1123 CE LYS A 92 65.693 51.694 -15.462 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.801 50.602 -14.986 1.00 0.00 N ATOM 0 H LYS A 92 69.978 51.099 -18.442 1.00 0.00 H new ATOM 0 HA LYS A 92 68.632 53.457 -19.242 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.644 51.292 -18.439 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.181 51.684 -16.817 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.762 53.739 -16.842 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.227 53.352 -18.466 1.00 0.00 H new ATOM 0 HD2 LYS A 92 64.491 52.517 -17.059 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.401 51.092 -17.517 1.00 0.00 H new ATOM 0 HE2 LYS A 92 66.733 51.403 -15.316 1.00 0.00 H new ATOM 0 HE3 LYS A 92 65.525 52.588 -14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 64.842 50.548 -13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 63.824 50.797 -15.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 65.113 49.697 -15.392 1.00 0.00 H new ATOM 1138 N SER A 93 70.374 53.777 -16.459 1.00 0.00 N ATOM 1139 CA SER A 93 71.071 54.815 -15.665 1.00 0.00 C ATOM 1140 C SER A 93 72.283 55.482 -16.365 1.00 0.00 C ATOM 1141 O SER A 93 72.663 56.595 -15.998 1.00 0.00 O ATOM 1142 CB SER A 93 71.507 54.240 -14.311 1.00 0.00 C ATOM 1143 OG SER A 93 70.370 53.830 -13.560 1.00 0.00 O ATOM 0 H SER A 93 70.652 52.823 -16.230 1.00 0.00 H new ATOM 0 HA SER A 93 70.337 55.611 -15.535 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.174 53.392 -14.466 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.069 54.990 -13.754 1.00 0.00 H new ATOM 0 HG SER A 93 70.661 53.463 -12.699 1.00 0.00 H new ATOM 1149 N GLU A 94 72.898 54.828 -17.358 1.00 0.00 N ATOM 1150 CA GLU A 94 74.225 55.137 -17.929 1.00 0.00 C ATOM 1151 C GLU A 94 74.232 54.978 -19.469 1.00 0.00 C ATOM 1152 O GLU A 94 74.788 54.005 -19.989 1.00 0.00 O ATOM 1153 CB GLU A 94 75.299 54.217 -17.298 1.00 0.00 C ATOM 1154 CG GLU A 94 75.378 54.329 -15.772 1.00 0.00 C ATOM 1155 CD GLU A 94 76.450 53.402 -15.168 1.00 0.00 C ATOM 1156 OE1 GLU A 94 77.652 53.529 -15.514 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.096 52.561 -14.303 1.00 0.00 O ATOM 0 H GLU A 94 72.464 54.025 -17.813 1.00 0.00 H new ATOM 0 HA GLU A 94 74.455 56.177 -17.699 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.085 53.183 -17.568 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.272 54.462 -17.723 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.598 55.361 -15.497 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.407 54.085 -15.342 1.00 0.00 H new ATOM 1164 N PRO A 95 73.608 55.892 -20.241 1.00 0.00 N ATOM 1165 CA PRO A 95 73.281 55.687 -21.664 1.00 0.00 C ATOM 1166 C PRO A 95 74.475 55.471 -22.622 1.00 0.00 C ATOM 1167 O PRO A 95 74.273 55.141 -23.792 1.00 0.00 O ATOM 1168 CB PRO A 95 72.425 56.898 -22.063 1.00 0.00 C ATOM 1169 CG PRO A 95 72.770 57.962 -21.021 1.00 0.00 C ATOM 1170 CD PRO A 95 73.005 57.127 -19.767 1.00 0.00 C ATOM 0 HA PRO A 95 72.755 54.738 -21.767 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.661 57.237 -23.072 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.362 56.656 -22.048 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.655 58.533 -21.301 1.00 0.00 H new ATOM 0 HG3 PRO A 95 71.959 58.677 -20.887 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.662 57.643 -19.067 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.070 56.933 -19.242 1.00 0.00 H new ATOM 1178 N TRP A 96 75.712 55.617 -22.139 1.00 0.00 N ATOM 1179 CA TRP A 96 76.966 55.360 -22.859 1.00 0.00 C ATOM 1180 C TRP A 96 77.427 53.884 -22.856 1.00 0.00 C ATOM 1181 O TRP A 96 78.361 53.544 -23.588 1.00 0.00 O ATOM 1182 CB TRP A 96 78.040 56.266 -22.236 1.00 0.00 C ATOM 1183 CG TRP A 96 78.173 56.170 -20.741 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.915 55.261 -20.068 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.523 56.989 -19.717 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.780 55.465 -18.707 1.00 0.00 N ATOM 1187 CE2 TRP A 96 77.933 56.518 -18.433 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.618 58.073 -19.743 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.473 57.092 -17.238 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.151 58.658 -18.548 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.573 58.168 -17.299 1.00 0.00 C ATOM 0 H TRP A 96 75.876 55.935 -21.184 1.00 0.00 H new ATOM 0 HA TRP A 96 76.798 55.583 -23.913 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.003 56.023 -22.686 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.817 57.300 -22.499 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.521 54.492 -20.524 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.249 54.906 -17.994 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.279 58.460 -20.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.807 56.711 -16.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.463 59.490 -18.592 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.206 58.618 -16.389 1.00 0.00 H new ATOM 1202 N LEU A 97 76.829 53.003 -22.040 1.00 0.00 N ATOM 1203 CA LEU A 97 77.352 51.664 -21.758 1.00 0.00 C ATOM 1204 C LEU A 97 77.368 50.719 -22.980 1.00 0.00 C ATOM 1205 O LEU A 97 76.381 50.604 -23.711 1.00 0.00 O ATOM 1206 CB LEU A 97 76.524 51.066 -20.611 1.00 0.00 C ATOM 1207 CG LEU A 97 77.192 49.886 -19.899 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.480 50.268 -19.164 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.222 49.319 -18.867 1.00 0.00 C ATOM 0 H LEU A 97 75.957 53.207 -21.552 1.00 0.00 H new ATOM 0 HA LEU A 97 78.400 51.767 -21.478 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.320 51.848 -19.880 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.562 50.740 -21.005 1.00 0.00 H new ATOM 0 HG LEU A 97 77.450 49.162 -20.672 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.900 49.385 -18.683 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.200 50.670 -19.877 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.258 51.022 -18.409 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.688 48.478 -18.354 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.970 50.092 -18.141 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.315 48.981 -19.368 1.00 0.00 H new ATOM 1221 N ARG A 98 78.471 49.977 -23.149 1.00 0.00 N ATOM 1222 CA ARG A 98 78.677 49.006 -24.244 1.00 0.00 C ATOM 1223 C ARG A 98 78.068 47.627 -23.940 1.00 0.00 C ATOM 1224 O ARG A 98 77.903 47.258 -22.777 1.00 0.00 O ATOM 1225 CB ARG A 98 80.181 48.872 -24.549 1.00 0.00 C ATOM 1226 CG ARG A 98 80.942 50.194 -24.782 1.00 0.00 C ATOM 1227 CD ARG A 98 80.330 51.116 -25.845 1.00 0.00 C ATOM 1228 NE ARG A 98 80.340 50.500 -27.189 1.00 0.00 N ATOM 1229 CZ ARG A 98 79.807 51.003 -28.289 1.00 0.00 C ATOM 1230 NH1 ARG A 98 79.168 52.139 -28.291 1.00 0.00 N ATOM 1231 NH2 ARG A 98 79.909 50.367 -29.422 1.00 0.00 N ATOM 0 H ARG A 98 79.268 50.033 -22.514 1.00 0.00 H new ATOM 0 HA ARG A 98 78.156 49.392 -25.120 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.654 48.344 -23.721 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.298 48.247 -25.434 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.994 50.737 -23.838 1.00 0.00 H new ATOM 0 HG3 ARG A 98 81.966 49.960 -25.072 1.00 0.00 H new ATOM 0 HD2 ARG A 98 79.305 51.359 -25.566 1.00 0.00 H new ATOM 0 HD3 ARG A 98 80.884 52.054 -25.873 1.00 0.00 H new ATOM 0 HE ARG A 98 80.805 49.596 -27.276 1.00 0.00 H new ATOM 0 HH11 ARG A 98 79.067 52.669 -27.425 1.00 0.00 H new ATOM 0 HH12 ARG A 98 78.769 52.498 -29.158 1.00 0.00 H new ATOM 0 HH21 ARG A 98 80.403 49.475 -29.464 1.00 0.00 H new ATOM 0 HH22 ARG A 98 79.495 50.761 -30.267 1.00 0.00 H new ATOM 1245 N LEU A 99 77.762 46.867 -24.996 1.00 0.00 N ATOM 1246 CA LEU A 99 77.092 45.559 -24.960 1.00 0.00 C ATOM 1247 C LEU A 99 77.752 44.599 -25.965 1.00 0.00 C ATOM 1248 O LEU A 99 77.884 44.928 -27.145 1.00 0.00 O ATOM 1249 CB LEU A 99 75.610 45.813 -25.289 1.00 0.00 C ATOM 1250 CG LEU A 99 74.584 44.669 -25.195 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.680 43.738 -26.407 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.626 43.915 -23.868 1.00 0.00 C ATOM 0 H LEU A 99 77.985 47.160 -25.947 1.00 0.00 H new ATOM 0 HA LEU A 99 77.178 45.086 -23.982 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.266 46.610 -24.630 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.568 46.201 -26.307 1.00 0.00 H new ATOM 0 HG LEU A 99 73.599 45.136 -25.217 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.943 42.940 -26.312 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.486 44.305 -27.318 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.679 43.305 -26.455 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.876 43.124 -23.875 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.614 43.477 -23.730 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.418 44.605 -23.051 1.00 0.00 H new ATOM 1264 N ASP A 100 78.149 43.411 -25.506 1.00 0.00 N ATOM 1265 CA ASP A 100 78.745 42.353 -26.334 1.00 0.00 C ATOM 1266 C ASP A 100 78.430 40.948 -25.781 1.00 0.00 C ATOM 1267 O ASP A 100 78.403 40.742 -24.566 1.00 0.00 O ATOM 1268 CB ASP A 100 80.257 42.579 -26.511 1.00 0.00 C ATOM 1269 CG ASP A 100 81.071 42.519 -25.202 1.00 0.00 C ATOM 1270 OD1 ASP A 100 81.028 43.486 -24.401 1.00 0.00 O ATOM 1271 OD2 ASP A 100 81.817 41.532 -25.006 1.00 0.00 O ATOM 0 H ASP A 100 78.064 43.148 -24.524 1.00 0.00 H new ATOM 0 HA ASP A 100 78.288 42.407 -27.322 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.645 41.829 -27.200 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.414 43.552 -26.977 1.00 0.00 H new ATOM 1276 N MET A 101 78.136 39.998 -26.682 1.00 0.00 N ATOM 1277 CA MET A 101 77.561 38.677 -26.349 1.00 0.00 C ATOM 1278 C MET A 101 78.236 37.493 -27.078 1.00 0.00 C ATOM 1279 O MET A 101 77.721 36.372 -27.051 1.00 0.00 O ATOM 1280 CB MET A 101 76.046 38.702 -26.631 1.00 0.00 C ATOM 1281 CG MET A 101 75.274 39.702 -25.764 1.00 0.00 C ATOM 1282 SD MET A 101 73.510 39.738 -26.165 1.00 0.00 S ATOM 1283 CE MET A 101 72.901 40.882 -24.902 1.00 0.00 C ATOM 0 H MET A 101 78.293 40.125 -27.682 1.00 0.00 H new ATOM 0 HA MET A 101 77.751 38.504 -25.290 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.885 38.945 -27.681 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.639 37.704 -26.469 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.400 39.442 -24.713 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.696 40.698 -25.899 1.00 0.00 H new ATOM 0 HE1 MET A 101 72.099 40.407 -24.337 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.715 41.145 -24.226 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.521 41.784 -25.381 1.00 0.00 H new ATOM 1293 N SER A 102 79.379 37.721 -27.737 1.00 0.00 N ATOM 1294 CA SER A 102 80.162 36.675 -28.422 1.00 0.00 C ATOM 1295 C SER A 102 80.684 35.623 -27.433 1.00 0.00 C ATOM 1296 O SER A 102 80.893 35.925 -26.261 1.00 0.00 O ATOM 1297 CB SER A 102 81.341 37.303 -29.180 1.00 0.00 C ATOM 1298 OG SER A 102 80.879 38.296 -30.088 1.00 0.00 O ATOM 0 H SER A 102 79.795 38.649 -27.813 1.00 0.00 H new ATOM 0 HA SER A 102 79.499 36.177 -29.129 1.00 0.00 H new ATOM 0 HB2 SER A 102 82.041 37.747 -28.472 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.885 36.530 -29.723 1.00 0.00 H new ATOM 0 HG SER A 102 81.643 38.687 -30.561 1.00 0.00 H new ATOM 1304 N ASP A 103 80.953 34.395 -27.888 1.00 0.00 N ATOM 1305 CA ASP A 103 81.292 33.261 -27.004 1.00 0.00 C ATOM 1306 C ASP A 103 82.486 33.546 -26.071 1.00 0.00 C ATOM 1307 O ASP A 103 82.455 33.189 -24.893 1.00 0.00 O ATOM 1308 CB ASP A 103 81.577 32.017 -27.855 1.00 0.00 C ATOM 1309 CG ASP A 103 80.338 31.569 -28.647 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.483 30.844 -28.083 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.215 31.941 -29.840 1.00 0.00 O ATOM 0 H ASP A 103 80.943 34.153 -28.879 1.00 0.00 H new ATOM 0 HA ASP A 103 80.430 33.094 -26.358 1.00 0.00 H new ATOM 0 HB2 ASP A 103 82.393 32.229 -28.546 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.909 31.204 -27.210 1.00 0.00 H new ATOM 1316 N LYS A 104 83.492 34.292 -26.560 1.00 0.00 N ATOM 1317 CA LYS A 104 84.657 34.727 -25.766 1.00 0.00 C ATOM 1318 C LYS A 104 84.268 35.606 -24.570 1.00 0.00 C ATOM 1319 O LYS A 104 84.875 35.471 -23.513 1.00 0.00 O ATOM 1320 CB LYS A 104 85.684 35.448 -26.663 1.00 0.00 C ATOM 1321 CG LYS A 104 86.635 34.510 -27.427 1.00 0.00 C ATOM 1322 CD LYS A 104 85.970 33.651 -28.513 1.00 0.00 C ATOM 1323 CE LYS A 104 87.051 32.888 -29.297 1.00 0.00 C ATOM 1324 NZ LYS A 104 86.475 32.091 -30.417 1.00 0.00 N ATOM 0 H LYS A 104 83.520 34.614 -27.528 1.00 0.00 H new ATOM 0 HA LYS A 104 85.113 33.826 -25.355 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.148 36.066 -27.383 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.278 36.121 -26.045 1.00 0.00 H new ATOM 0 HG2 LYS A 104 87.418 35.110 -27.890 1.00 0.00 H new ATOM 0 HG3 LYS A 104 87.122 33.849 -26.710 1.00 0.00 H new ATOM 0 HD2 LYS A 104 85.271 32.949 -28.059 1.00 0.00 H new ATOM 0 HD3 LYS A 104 85.393 34.283 -29.189 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.778 33.596 -29.694 1.00 0.00 H new ATOM 0 HE3 LYS A 104 87.589 32.224 -28.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 87.239 31.594 -30.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 85.800 31.397 -30.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 85.984 32.726 -31.078 1.00 0.00 H new ATOM 1338 N ALA A 105 83.228 36.437 -24.686 1.00 0.00 N ATOM 1339 CA ALA A 105 82.705 37.236 -23.570 1.00 0.00 C ATOM 1340 C ALA A 105 82.187 36.346 -22.434 1.00 0.00 C ATOM 1341 O ALA A 105 82.478 36.587 -21.262 1.00 0.00 O ATOM 1342 CB ALA A 105 81.618 38.186 -24.090 1.00 0.00 C ATOM 0 H ALA A 105 82.722 36.576 -25.560 1.00 0.00 H new ATOM 0 HA ALA A 105 83.516 37.830 -23.149 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.228 38.780 -23.263 1.00 0.00 H new ATOM 0 HB2 ALA A 105 82.044 38.848 -24.844 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.809 37.605 -24.533 1.00 0.00 H new ATOM 1348 N ILE A 106 81.483 35.267 -22.790 1.00 0.00 N ATOM 1349 CA ILE A 106 80.912 34.313 -21.835 1.00 0.00 C ATOM 1350 C ILE A 106 82.038 33.493 -21.200 1.00 0.00 C ATOM 1351 O ILE A 106 82.093 33.409 -19.979 1.00 0.00 O ATOM 1352 CB ILE A 106 79.813 33.463 -22.516 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.500 34.260 -22.690 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.471 32.196 -21.708 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.588 35.562 -23.501 1.00 0.00 C ATOM 0 H ILE A 106 81.291 35.029 -23.763 1.00 0.00 H new ATOM 0 HA ILE A 106 80.412 34.836 -21.020 1.00 0.00 H new ATOM 0 HB ILE A 106 80.224 33.186 -23.487 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.768 33.610 -23.168 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.114 34.501 -21.700 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.695 31.632 -22.226 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.363 31.577 -21.607 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.113 32.481 -20.719 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.603 36.027 -23.551 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.288 36.245 -23.019 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.936 35.339 -24.510 1.00 0.00 H new ATOM 1367 N PHE A 107 82.988 32.985 -21.991 1.00 0.00 N ATOM 1368 CA PHE A 107 84.170 32.277 -21.467 1.00 0.00 C ATOM 1369 C PHE A 107 84.975 33.125 -20.468 1.00 0.00 C ATOM 1370 O PHE A 107 85.358 32.645 -19.402 1.00 0.00 O ATOM 1371 CB PHE A 107 85.122 31.898 -22.612 1.00 0.00 C ATOM 1372 CG PHE A 107 84.600 31.056 -23.759 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.470 30.223 -23.634 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.304 31.097 -24.976 1.00 0.00 C ATOM 1375 CE1 PHE A 107 83.051 29.438 -24.723 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.888 30.311 -26.065 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.762 29.478 -25.936 1.00 0.00 C ATOM 0 H PHE A 107 82.964 33.050 -23.009 1.00 0.00 H new ATOM 0 HA PHE A 107 83.786 31.393 -20.959 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.511 32.824 -23.035 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.968 31.368 -22.174 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.926 30.188 -22.702 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.169 31.736 -25.075 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.182 28.804 -24.628 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.431 30.347 -26.998 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.443 28.869 -26.769 1.00 0.00 H new ATOM 1387 N ARG A 108 85.249 34.391 -20.816 1.00 0.00 N ATOM 1388 CA ARG A 108 86.137 35.285 -20.069 1.00 0.00 C ATOM 1389 C ARG A 108 85.480 35.829 -18.795 1.00 0.00 C ATOM 1390 O ARG A 108 86.141 35.903 -17.760 1.00 0.00 O ATOM 1391 CB ARG A 108 86.619 36.349 -21.070 1.00 0.00 C ATOM 1392 CG ARG A 108 87.844 37.159 -20.633 1.00 0.00 C ATOM 1393 CD ARG A 108 87.531 38.360 -19.730 1.00 0.00 C ATOM 1394 NE ARG A 108 88.757 39.129 -19.434 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.851 40.218 -18.687 1.00 0.00 C ATOM 1396 NH1 ARG A 108 87.814 40.758 -18.110 1.00 0.00 N ATOM 1397 NH2 ARG A 108 90.006 40.792 -18.506 1.00 0.00 N ATOM 0 H ARG A 108 84.848 34.829 -21.645 1.00 0.00 H new ATOM 0 HA ARG A 108 87.006 34.760 -19.672 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.849 35.856 -22.015 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.798 37.040 -21.263 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.532 36.497 -20.108 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.362 37.516 -21.523 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.800 39.006 -20.217 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.081 38.013 -18.800 1.00 0.00 H new ATOM 0 HE ARG A 108 89.623 38.785 -19.849 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.891 40.341 -18.227 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.926 41.598 -17.542 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.843 40.403 -18.941 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.074 41.631 -17.930 1.00 0.00 H new ATOM 1411 N ARG A 109 84.177 36.148 -18.837 1.00 0.00 N ATOM 1412 CA ARG A 109 83.395 36.556 -17.652 1.00 0.00 C ATOM 1413 C ARG A 109 83.053 35.363 -16.740 1.00 0.00 C ATOM 1414 O ARG A 109 83.147 35.482 -15.519 1.00 0.00 O ATOM 1415 CB ARG A 109 82.134 37.311 -18.114 1.00 0.00 C ATOM 1416 CG ARG A 109 81.390 37.947 -16.930 1.00 0.00 C ATOM 1417 CD ARG A 109 80.036 38.549 -17.322 1.00 0.00 C ATOM 1418 NE ARG A 109 80.082 39.998 -17.599 1.00 0.00 N ATOM 1419 CZ ARG A 109 79.176 40.878 -17.197 1.00 0.00 C ATOM 1420 NH1 ARG A 109 78.085 40.533 -16.580 1.00 0.00 N ATOM 1421 NH2 ARG A 109 79.327 42.151 -17.389 1.00 0.00 N ATOM 0 H ARG A 109 83.630 36.131 -19.698 1.00 0.00 H new ATOM 0 HA ARG A 109 84.004 37.225 -17.044 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.414 38.086 -18.827 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.468 36.623 -18.636 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.235 37.193 -16.159 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.014 38.726 -16.493 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.662 38.032 -18.206 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.322 38.365 -16.519 1.00 0.00 H new ATOM 0 HE ARG A 109 80.871 40.349 -18.141 1.00 0.00 H new ATOM 0 HH11 ARG A 109 77.898 39.549 -16.387 1.00 0.00 H new ATOM 0 HH12 ARG A 109 77.416 41.246 -16.289 1.00 0.00 H new ATOM 0 HH21 ARG A 109 80.161 42.500 -17.861 1.00 0.00 H new ATOM 0 HH22 ARG A 109 78.612 42.804 -17.068 1.00 0.00 H new ATOM 1435 N TYR A 110 82.682 34.225 -17.331 1.00 0.00 N ATOM 1436 CA TYR A 110 82.179 33.024 -16.653 1.00 0.00 C ATOM 1437 C TYR A 110 83.023 31.781 -17.026 1.00 0.00 C ATOM 1438 O TYR A 110 82.630 30.996 -17.894 1.00 0.00 O ATOM 1439 CB TYR A 110 80.687 32.847 -16.994 1.00 0.00 C ATOM 1440 CG TYR A 110 79.796 34.041 -16.701 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.696 34.547 -15.390 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.048 34.632 -17.738 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.845 35.638 -15.122 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.178 35.707 -17.465 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.062 36.203 -16.151 1.00 0.00 C ATOM 1446 OH TYR A 110 77.220 37.244 -15.892 1.00 0.00 O ATOM 0 H TYR A 110 82.726 34.108 -18.343 1.00 0.00 H new ATOM 0 HA TYR A 110 82.273 33.140 -15.573 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.602 32.606 -18.054 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.306 31.989 -16.440 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.270 34.100 -14.592 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.142 34.260 -18.747 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.792 36.044 -14.123 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.600 36.150 -18.263 1.00 0.00 H new ATOM 0 HH TYR A 110 76.761 37.507 -16.717 1.00 0.00 H new ATOM 1456 N PRO A 111 84.192 31.567 -16.385 1.00 0.00 N ATOM 1457 CA PRO A 111 85.151 30.529 -16.789 1.00 0.00 C ATOM 1458 C PRO A 111 84.645 29.087 -16.607 1.00 0.00 C ATOM 1459 O PRO A 111 85.181 28.169 -17.230 1.00 0.00 O ATOM 1460 CB PRO A 111 86.416 30.807 -15.968 1.00 0.00 C ATOM 1461 CG PRO A 111 85.891 31.522 -14.725 1.00 0.00 C ATOM 1462 CD PRO A 111 84.734 32.347 -15.281 1.00 0.00 C ATOM 0 HA PRO A 111 85.332 30.586 -17.862 1.00 0.00 H new ATOM 0 HB2 PRO A 111 86.936 29.885 -15.710 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.122 31.428 -16.519 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.558 30.818 -13.963 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.654 32.151 -14.266 1.00 0.00 H new ATOM 0 HD2 PRO A 111 83.977 32.524 -14.517 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.077 33.324 -15.622 1.00 0.00 H new ATOM 1470 N HIS A 112 83.594 28.874 -15.804 1.00 0.00 N ATOM 1471 CA HIS A 112 82.930 27.572 -15.652 1.00 0.00 C ATOM 1472 C HIS A 112 82.056 27.188 -16.863 1.00 0.00 C ATOM 1473 O HIS A 112 81.792 26.003 -17.080 1.00 0.00 O ATOM 1474 CB HIS A 112 82.092 27.597 -14.367 1.00 0.00 C ATOM 1475 CG HIS A 112 80.785 28.344 -14.502 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.635 29.684 -14.885 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.552 27.777 -14.370 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.308 29.892 -14.951 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.644 28.772 -14.639 1.00 0.00 N ATOM 0 H HIS A 112 83.176 29.610 -15.235 1.00 0.00 H new ATOM 0 HA HIS A 112 83.704 26.807 -15.592 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.883 26.572 -14.061 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.680 28.054 -13.571 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.333 26.753 -14.107 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.844 30.830 -15.218 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.629 28.674 -14.606 1.00 0.00 H new ATOM 1487 N LEU A 113 81.610 28.177 -17.651 1.00 0.00 N ATOM 1488 CA LEU A 113 80.705 28.023 -18.785 1.00 0.00 C ATOM 1489 C LEU A 113 81.433 27.634 -20.098 1.00 0.00 C ATOM 1490 O LEU A 113 80.790 27.180 -21.048 1.00 0.00 O ATOM 1491 CB LEU A 113 79.909 29.348 -18.898 1.00 0.00 C ATOM 1492 CG LEU A 113 78.389 29.228 -19.084 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.045 28.403 -20.318 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.680 28.650 -17.867 1.00 0.00 C ATOM 0 H LEU A 113 81.886 29.148 -17.503 1.00 0.00 H new ATOM 0 HA LEU A 113 80.026 27.187 -18.617 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.096 29.935 -17.999 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.310 29.915 -19.738 1.00 0.00 H new ATOM 0 HG LEU A 113 78.028 30.248 -19.218 1.00 0.00 H new ATOM 0 HD11 LEU A 113 76.962 28.337 -20.421 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.466 28.880 -21.203 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.461 27.401 -20.213 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.609 28.592 -18.063 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.066 27.652 -17.661 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.856 29.292 -17.004 1.00 0.00 H new ATOM 1506 N ARG A 114 82.769 27.780 -20.154 1.00 0.00 N ATOM 1507 CA ARG A 114 83.612 27.337 -21.282 1.00 0.00 C ATOM 1508 C ARG A 114 83.677 25.802 -21.385 1.00 0.00 C ATOM 1509 O ARG A 114 83.381 25.264 -22.478 1.00 0.00 O ATOM 1510 CB ARG A 114 85.010 27.971 -21.178 1.00 0.00 C ATOM 1511 CG ARG A 114 85.876 27.646 -22.410 1.00 0.00 C ATOM 1512 CD ARG A 114 87.263 28.298 -22.351 1.00 0.00 C ATOM 1513 NE ARG A 114 88.099 27.733 -21.274 1.00 0.00 N ATOM 1514 CZ ARG A 114 89.343 28.067 -20.985 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.992 28.978 -21.652 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.969 27.480 -20.007 1.00 0.00 N ATOM 1517 OXT ARG A 114 84.034 25.134 -20.385 1.00 0.00 O ATOM 0 H ARG A 114 83.304 28.217 -19.403 1.00 0.00 H new ATOM 0 HA ARG A 114 83.152 27.682 -22.208 1.00 0.00 H new ATOM 0 HB2 ARG A 114 84.913 29.052 -21.076 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.507 27.610 -20.278 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.991 26.565 -22.493 1.00 0.00 H new ATOM 0 HG3 ARG A 114 85.360 27.981 -23.310 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.767 28.164 -23.308 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.152 29.371 -22.197 1.00 0.00 H new ATOM 0 HE ARG A 114 87.672 27.011 -20.694 1.00 0.00 H new ATOM 0 HH11 ARG A 114 89.540 29.461 -22.428 1.00 0.00 H new ATOM 0 HH12 ARG A 114 90.953 29.208 -21.398 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.499 26.759 -19.460 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.930 27.741 -19.787 1.00 0.00 H new