USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 34 GLN : amide:sc= -2.47 K(o=-2.5,f=-5.6) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -151:sc= -0.143 (180deg=-0.688) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -90:sc= 1.01 USER MOD Single : A 24 MET CE :methyl 144:sc= -1.98 (180deg=-2.89!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0386 USER MOD Single : A 48 SER OG : rot 170:sc= -0.78 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 65 HIS : no HD1:sc= -2.99! C(o=-3!,f=-2.7!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= 0 F(o=-0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 11 7.980 16.123 -11.111 1.00 2.24 N ATOM 146 CA TYR A 11 8.922 17.198 -11.398 1.00 40.44 C ATOM 147 C TYR A 11 9.907 17.382 -10.248 1.00 1.21 C ATOM 148 O TYR A 11 9.514 17.692 -9.123 1.00 61.10 O ATOM 149 CB TYR A 11 8.172 18.506 -11.656 1.00 40.42 C ATOM 150 CG TYR A 11 7.535 18.579 -13.026 1.00 4.53 C ATOM 151 CD1 TYR A 11 8.290 18.898 -14.148 1.00 3.20 C ATOM 152 CD2 TYR A 11 6.179 18.331 -13.198 1.00 24.05 C ATOM 153 CE1 TYR A 11 7.713 18.967 -15.401 1.00 60.22 C ATOM 154 CE2 TYR A 11 5.594 18.396 -14.447 1.00 71.10 C ATOM 155 CZ TYR A 11 6.365 18.714 -15.546 1.00 13.43 C ATOM 156 OH TYR A 11 5.785 18.782 -16.792 1.00 20.51 O ATOM 0 HA TYR A 11 9.483 16.926 -12.292 1.00 40.44 H new ATOM 0 HB2 TYR A 11 7.398 18.627 -10.898 1.00 40.42 H new ATOM 0 HB3 TYR A 11 8.864 19.340 -11.541 1.00 40.42 H new ATOM 0 HD1 TYR A 11 9.346 19.095 -14.038 1.00 3.20 H new ATOM 0 HD2 TYR A 11 5.572 18.083 -12.340 1.00 24.05 H new ATOM 0 HE1 TYR A 11 8.314 19.218 -16.263 1.00 60.22 H new ATOM 0 HE2 TYR A 11 4.538 18.199 -14.563 1.00 71.10 H new ATOM 0 HH TYR A 11 4.830 18.575 -16.720 1.00 20.51 H new ATOM 166 N ARG A 12 11.189 17.190 -10.539 1.00 64.41 N ATOM 167 CA ARG A 12 12.232 17.333 -9.530 1.00 51.31 C ATOM 168 C ARG A 12 12.384 18.792 -9.110 1.00 1.15 C ATOM 169 O ARG A 12 12.565 19.092 -7.930 1.00 34.32 O ATOM 170 CB ARG A 12 13.564 16.804 -10.064 1.00 22.53 C ATOM 171 CG ARG A 12 14.010 17.468 -11.356 1.00 4.23 C ATOM 172 CD ARG A 12 14.682 16.474 -12.291 1.00 14.34 C ATOM 173 NE ARG A 12 16.056 16.188 -11.890 1.00 4.14 N ATOM 174 CZ ARG A 12 16.811 15.258 -12.464 1.00 31.33 C ATOM 175 NH1 ARG A 12 16.326 14.528 -13.459 1.00 24.20 N ATOM 176 NH2 ARG A 12 18.053 15.056 -12.043 1.00 0.32 N ATOM 0 H ARG A 12 11.531 16.935 -11.466 1.00 64.41 H new ATOM 0 HA ARG A 12 11.941 16.749 -8.657 1.00 51.31 H new ATOM 0 HB2 ARG A 12 14.333 16.951 -9.306 1.00 22.53 H new ATOM 0 HB3 ARG A 12 13.479 15.730 -10.228 1.00 22.53 H new ATOM 0 HG2 ARG A 12 13.148 17.912 -11.854 1.00 4.23 H new ATOM 0 HG3 ARG A 12 14.701 18.280 -11.129 1.00 4.23 H new ATOM 0 HD2 ARG A 12 14.109 15.547 -12.307 1.00 14.34 H new ATOM 0 HD3 ARG A 12 14.676 16.870 -13.306 1.00 14.34 H new ATOM 0 HE ARG A 12 16.459 16.732 -11.127 1.00 4.14 H new ATOM 0 HH11 ARG A 12 15.372 14.680 -13.785 1.00 24.20 H new ATOM 0 HH12 ARG A 12 16.907 13.814 -13.898 1.00 24.20 H new ATOM 0 HH21 ARG A 12 18.429 15.615 -11.277 1.00 0.32 H new ATOM 0 HH22 ARG A 12 18.631 14.341 -12.485 1.00 0.32 H new ATOM 190 N GLU A 13 12.310 19.694 -10.083 1.00 45.22 N ATOM 191 CA GLU A 13 12.442 21.121 -9.813 1.00 54.20 C ATOM 192 C GLU A 13 11.389 21.584 -8.809 1.00 64.23 C ATOM 193 O GLU A 13 11.684 22.359 -7.899 1.00 34.11 O ATOM 194 CB GLU A 13 12.312 21.922 -11.110 1.00 41.41 C ATOM 195 CG GLU A 13 13.384 21.597 -12.136 1.00 63.34 C ATOM 196 CD GLU A 13 13.163 22.309 -13.457 1.00 24.31 C ATOM 197 OE1 GLU A 13 12.850 23.517 -13.435 1.00 4.21 O ATOM 198 OE2 GLU A 13 13.304 21.656 -14.513 1.00 10.34 O ATOM 0 H GLU A 13 12.159 19.462 -11.065 1.00 45.22 H new ATOM 0 HA GLU A 13 13.429 21.294 -9.385 1.00 54.20 H new ATOM 0 HB2 GLU A 13 11.332 21.732 -11.548 1.00 41.41 H new ATOM 0 HB3 GLU A 13 12.355 22.986 -10.876 1.00 41.41 H new ATOM 0 HG2 GLU A 13 14.360 21.874 -11.737 1.00 63.34 H new ATOM 0 HG3 GLU A 13 13.404 20.521 -12.307 1.00 63.34 H new ATOM 205 N ILE A 14 10.163 21.103 -8.983 1.00 52.53 N ATOM 206 CA ILE A 14 9.067 21.467 -8.093 1.00 63.12 C ATOM 207 C ILE A 14 9.407 21.143 -6.642 1.00 43.43 C ATOM 208 O ILE A 14 8.835 21.718 -5.717 1.00 53.41 O ATOM 209 CB ILE A 14 7.765 20.740 -8.478 1.00 12.52 C ATOM 210 CG1 ILE A 14 7.300 21.182 -9.867 1.00 13.52 C ATOM 211 CG2 ILE A 14 6.684 21.007 -7.441 1.00 54.43 C ATOM 212 CD1 ILE A 14 7.143 22.681 -10.003 1.00 63.22 C ATOM 0 H ILE A 14 9.903 20.461 -9.732 1.00 52.53 H new ATOM 0 HA ILE A 14 8.918 22.542 -8.198 1.00 63.12 H new ATOM 0 HB ILE A 14 7.959 19.668 -8.505 1.00 12.52 H new ATOM 0 HG12 ILE A 14 8.016 20.831 -10.610 1.00 13.52 H new ATOM 0 HG13 ILE A 14 6.347 20.703 -10.092 1.00 13.52 H new ATOM 0 HG21 ILE A 14 5.770 20.487 -7.726 1.00 54.43 H new ATOM 0 HG22 ILE A 14 7.017 20.648 -6.467 1.00 54.43 H new ATOM 0 HG23 ILE A 14 6.490 22.078 -7.385 1.00 54.43 H new ATOM 0 HD11 ILE A 14 6.811 22.922 -11.013 1.00 63.22 H new ATOM 0 HD12 ILE A 14 6.405 23.036 -9.284 1.00 63.22 H new ATOM 0 HD13 ILE A 14 8.100 23.166 -9.810 1.00 63.22 H new ATOM 224 N MET A 15 10.344 20.220 -6.452 1.00 2.34 N ATOM 225 CA MET A 15 10.763 19.822 -5.113 1.00 0.55 C ATOM 226 C MET A 15 11.055 21.045 -4.248 1.00 53.24 C ATOM 227 O MET A 15 10.901 21.004 -3.028 1.00 53.33 O ATOM 228 CB MET A 15 12.003 18.929 -5.187 1.00 74.12 C ATOM 229 CG MET A 15 12.435 18.375 -3.839 1.00 12.40 C ATOM 230 SD MET A 15 12.889 16.632 -3.917 1.00 40.30 S ATOM 231 CE MET A 15 11.319 15.893 -4.359 1.00 33.31 C ATOM 0 H MET A 15 10.827 19.734 -7.207 1.00 2.34 H new ATOM 0 HA MET A 15 9.947 19.262 -4.657 1.00 0.55 H new ATOM 0 HB2 MET A 15 11.803 18.099 -5.864 1.00 74.12 H new ATOM 0 HB3 MET A 15 12.826 19.500 -5.617 1.00 74.12 H new ATOM 0 HG2 MET A 15 13.283 18.951 -3.469 1.00 12.40 H new ATOM 0 HG3 MET A 15 11.625 18.504 -3.121 1.00 12.40 H new ATOM 0 HE1 MET A 15 11.270 14.879 -3.963 1.00 33.31 H new ATOM 0 HE2 MET A 15 10.507 16.486 -3.939 1.00 33.31 H new ATOM 0 HE3 MET A 15 11.223 15.864 -5.444 1.00 33.31 H new ATOM 241 N GLU A 16 11.476 22.131 -4.890 1.00 25.34 N ATOM 242 CA GLU A 16 11.790 23.364 -4.178 1.00 24.13 C ATOM 243 C GLU A 16 10.592 23.842 -3.363 1.00 53.24 C ATOM 244 O GLU A 16 10.709 24.120 -2.169 1.00 40.31 O ATOM 245 CB GLU A 16 12.219 24.453 -5.163 1.00 55.24 C ATOM 246 CG GLU A 16 13.574 24.198 -5.801 1.00 52.22 C ATOM 247 CD GLU A 16 14.638 23.836 -4.784 1.00 25.00 C ATOM 248 OE1 GLU A 16 14.825 24.607 -3.820 1.00 22.24 O ATOM 249 OE2 GLU A 16 15.285 22.781 -4.953 1.00 32.32 O ATOM 0 H GLU A 16 11.607 22.182 -5.900 1.00 25.34 H new ATOM 0 HA GLU A 16 12.614 23.159 -3.494 1.00 24.13 H new ATOM 0 HB2 GLU A 16 11.467 24.537 -5.948 1.00 55.24 H new ATOM 0 HB3 GLU A 16 12.246 25.411 -4.643 1.00 55.24 H new ATOM 0 HG2 GLU A 16 13.483 23.392 -6.529 1.00 52.22 H new ATOM 0 HG3 GLU A 16 13.887 25.087 -6.348 1.00 52.22 H new ATOM 256 N LEU A 17 9.439 23.936 -4.018 1.00 3.25 N ATOM 257 CA LEU A 17 8.218 24.381 -3.356 1.00 11.34 C ATOM 258 C LEU A 17 7.542 23.225 -2.625 1.00 2.40 C ATOM 259 O LEU A 17 7.208 23.335 -1.445 1.00 31.24 O ATOM 260 CB LEU A 17 7.253 24.988 -4.376 1.00 44.02 C ATOM 261 CG LEU A 17 6.178 25.918 -3.813 1.00 43.22 C ATOM 262 CD1 LEU A 17 6.444 27.356 -4.232 1.00 30.03 C ATOM 263 CD2 LEU A 17 4.796 25.474 -4.270 1.00 44.43 C ATOM 0 H LEU A 17 9.325 23.710 -5.006 1.00 3.25 H new ATOM 0 HA LEU A 17 8.488 25.142 -2.623 1.00 11.34 H new ATOM 0 HB2 LEU A 17 7.835 25.542 -5.112 1.00 44.02 H new ATOM 0 HB3 LEU A 17 6.759 24.175 -4.908 1.00 44.02 H new ATOM 0 HG LEU A 17 6.213 25.866 -2.725 1.00 43.22 H new ATOM 0 HD11 LEU A 17 5.669 28.004 -3.822 1.00 30.03 H new ATOM 0 HD12 LEU A 17 7.417 27.671 -3.855 1.00 30.03 H new ATOM 0 HD13 LEU A 17 6.437 27.425 -5.320 1.00 30.03 H new ATOM 0 HD21 LEU A 17 4.043 26.147 -3.860 1.00 44.43 H new ATOM 0 HD22 LEU A 17 4.748 25.496 -5.359 1.00 44.43 H new ATOM 0 HD23 LEU A 17 4.605 24.460 -3.919 1.00 44.43 H new ATOM 275 N CYS A 18 7.346 22.119 -3.333 1.00 62.20 N ATOM 276 CA CYS A 18 6.712 20.941 -2.751 1.00 54.24 C ATOM 277 C CYS A 18 7.319 20.612 -1.392 1.00 0.04 C ATOM 278 O CYS A 18 6.615 20.202 -0.468 1.00 42.13 O ATOM 279 CB CYS A 18 6.854 19.743 -3.691 1.00 23.12 C ATOM 280 SG CYS A 18 6.270 18.182 -2.990 1.00 73.13 S ATOM 0 H CYS A 18 7.617 22.013 -4.311 1.00 62.20 H new ATOM 0 HA CYS A 18 5.653 21.160 -2.611 1.00 54.24 H new ATOM 0 HB2 CYS A 18 6.301 19.947 -4.608 1.00 23.12 H new ATOM 0 HB3 CYS A 18 7.903 19.635 -3.968 1.00 23.12 H new ATOM 0 HG CYS A 18 6.429 17.229 -3.860 1.00 73.13 H new ATOM 286 N PHE A 19 8.631 20.793 -1.276 1.00 35.31 N ATOM 287 CA PHE A 19 9.334 20.512 -0.030 1.00 12.34 C ATOM 288 C PHE A 19 8.695 21.263 1.136 1.00 65.53 C ATOM 289 O PHE A 19 8.511 20.708 2.219 1.00 13.02 O ATOM 290 CB PHE A 19 10.809 20.900 -0.153 1.00 71.45 C ATOM 291 CG PHE A 19 11.566 20.797 1.140 1.00 41.43 C ATOM 292 CD1 PHE A 19 11.488 19.652 1.915 1.00 61.42 C ATOM 293 CD2 PHE A 19 12.356 21.847 1.580 1.00 15.43 C ATOM 294 CE1 PHE A 19 12.184 19.554 3.105 1.00 11.01 C ATOM 295 CE2 PHE A 19 13.054 21.755 2.769 1.00 11.44 C ATOM 296 CZ PHE A 19 12.967 20.608 3.533 1.00 20.14 C ATOM 0 H PHE A 19 9.228 21.133 -2.030 1.00 35.31 H new ATOM 0 HA PHE A 19 9.262 19.442 0.166 1.00 12.34 H new ATOM 0 HB2 PHE A 19 11.284 20.259 -0.895 1.00 71.45 H new ATOM 0 HB3 PHE A 19 10.878 21.922 -0.524 1.00 71.45 H new ATOM 0 HD1 PHE A 19 10.876 18.826 1.585 1.00 61.42 H new ATOM 0 HD2 PHE A 19 12.427 22.747 0.987 1.00 15.43 H new ATOM 0 HE1 PHE A 19 12.116 18.655 3.699 1.00 11.01 H new ATOM 0 HE2 PHE A 19 13.667 22.580 3.101 1.00 11.44 H new ATOM 0 HZ PHE A 19 13.510 20.535 4.464 1.00 20.14 H new ATOM 306 N VAL A 20 8.361 22.528 0.905 1.00 51.22 N ATOM 307 CA VAL A 20 7.743 23.356 1.934 1.00 71.50 C ATOM 308 C VAL A 20 6.272 22.997 2.118 1.00 45.24 C ATOM 309 O VAL A 20 5.769 22.955 3.241 1.00 41.24 O ATOM 310 CB VAL A 20 7.856 24.853 1.593 1.00 2.31 C ATOM 311 CG1 VAL A 20 7.075 25.690 2.595 1.00 74.34 C ATOM 312 CG2 VAL A 20 9.315 25.281 1.553 1.00 45.15 C ATOM 0 H VAL A 20 8.508 23.002 0.014 1.00 51.22 H new ATOM 0 HA VAL A 20 8.281 23.161 2.862 1.00 71.50 H new ATOM 0 HB VAL A 20 7.425 25.016 0.605 1.00 2.31 H new ATOM 0 HG11 VAL A 20 7.167 26.745 2.338 1.00 74.34 H new ATOM 0 HG12 VAL A 20 6.024 25.401 2.570 1.00 74.34 H new ATOM 0 HG13 VAL A 20 7.473 25.525 3.596 1.00 74.34 H new ATOM 0 HG21 VAL A 20 9.376 26.342 1.311 1.00 45.15 H new ATOM 0 HG22 VAL A 20 9.773 25.104 2.526 1.00 45.15 H new ATOM 0 HG23 VAL A 20 9.843 24.704 0.793 1.00 45.15 H new ATOM 322 N ILE A 21 5.589 22.739 1.008 1.00 41.13 N ATOM 323 CA ILE A 21 4.176 22.383 1.047 1.00 63.55 C ATOM 324 C ILE A 21 3.962 21.066 1.785 1.00 32.31 C ATOM 325 O ILE A 21 2.917 20.850 2.400 1.00 4.32 O ATOM 326 CB ILE A 21 3.586 22.265 -0.371 1.00 42.11 C ATOM 327 CG1 ILE A 21 3.937 23.504 -1.198 1.00 22.04 C ATOM 328 CG2 ILE A 21 2.078 22.077 -0.303 1.00 70.11 C ATOM 329 CD1 ILE A 21 3.509 24.803 -0.551 1.00 74.33 C ATOM 0 H ILE A 21 5.991 22.770 0.071 1.00 41.13 H new ATOM 0 HA ILE A 21 3.663 23.184 1.580 1.00 63.55 H new ATOM 0 HB ILE A 21 4.020 21.392 -0.858 1.00 42.11 H new ATOM 0 HG12 ILE A 21 5.014 23.527 -1.363 1.00 22.04 H new ATOM 0 HG13 ILE A 21 3.466 23.423 -2.178 1.00 22.04 H new ATOM 0 HG21 ILE A 21 1.676 21.995 -1.313 1.00 70.11 H new ATOM 0 HG22 ILE A 21 1.849 21.168 0.253 1.00 70.11 H new ATOM 0 HG23 ILE A 21 1.627 22.933 0.199 1.00 70.11 H new ATOM 0 HD11 ILE A 21 3.790 25.639 -1.192 1.00 74.33 H new ATOM 0 HD12 ILE A 21 2.428 24.801 -0.410 1.00 74.33 H new ATOM 0 HD13 ILE A 21 4.001 24.907 0.416 1.00 74.33 H new ATOM 341 N ARG A 22 4.958 20.189 1.721 1.00 23.32 N ATOM 342 CA ARG A 22 4.879 18.893 2.384 1.00 22.24 C ATOM 343 C ARG A 22 4.976 19.050 3.899 1.00 2.41 C ATOM 344 O ARG A 22 4.493 18.207 4.655 1.00 70.42 O ATOM 345 CB ARG A 22 5.993 17.971 1.884 1.00 2.35 C ATOM 346 CG ARG A 22 5.751 16.502 2.190 1.00 44.10 C ATOM 347 CD ARG A 22 6.434 16.082 3.482 1.00 14.25 C ATOM 348 NE ARG A 22 7.022 14.749 3.383 1.00 53.11 N ATOM 349 CZ ARG A 22 7.697 14.168 4.368 1.00 3.43 C ATOM 350 NH1 ARG A 22 7.869 14.800 5.521 1.00 12.32 N ATOM 351 NH2 ARG A 22 8.202 12.953 4.202 1.00 65.24 N ATOM 0 H ARG A 22 5.829 20.352 1.217 1.00 23.32 H new ATOM 0 HA ARG A 22 3.913 18.449 2.143 1.00 22.24 H new ATOM 0 HB2 ARG A 22 6.100 18.096 0.807 1.00 2.35 H new ATOM 0 HB3 ARG A 22 6.937 18.277 2.336 1.00 2.35 H new ATOM 0 HG2 ARG A 22 4.680 16.317 2.267 1.00 44.10 H new ATOM 0 HG3 ARG A 22 6.122 15.892 1.366 1.00 44.10 H new ATOM 0 HD2 ARG A 22 7.212 16.804 3.732 1.00 14.25 H new ATOM 0 HD3 ARG A 22 5.710 16.099 4.297 1.00 14.25 H new ATOM 0 HE ARG A 22 6.908 14.236 2.509 1.00 53.11 H new ATOM 0 HH11 ARG A 22 7.482 15.735 5.653 1.00 12.32 H new ATOM 0 HH12 ARG A 22 8.388 14.351 6.276 1.00 12.32 H new ATOM 0 HH21 ARG A 22 8.072 12.463 3.317 1.00 65.24 H new ATOM 0 HH22 ARG A 22 8.720 12.508 4.960 1.00 65.24 H new ATOM 365 N THR A 23 5.605 20.137 4.337 1.00 51.01 N ATOM 366 CA THR A 23 5.767 20.405 5.760 1.00 22.22 C ATOM 367 C THR A 23 4.451 20.848 6.390 1.00 65.22 C ATOM 368 O THR A 23 4.083 20.386 7.469 1.00 32.03 O ATOM 369 CB THR A 23 6.833 21.488 6.010 1.00 2.31 C ATOM 370 OG1 THR A 23 6.281 22.786 5.760 1.00 20.42 O ATOM 371 CG2 THR A 23 8.047 21.268 5.120 1.00 3.33 C ATOM 0 H THR A 23 6.010 20.846 3.726 1.00 51.01 H new ATOM 0 HA THR A 23 6.092 19.473 6.222 1.00 22.22 H new ATOM 0 HB THR A 23 7.149 21.422 7.051 1.00 2.31 H new ATOM 0 HG1 THR A 23 6.416 23.023 4.819 1.00 20.42 H new ATOM 0 HG21 THR A 23 8.786 22.045 5.314 1.00 3.33 H new ATOM 0 HG22 THR A 23 8.482 20.292 5.333 1.00 3.33 H new ATOM 0 HG23 THR A 23 7.744 21.309 4.074 1.00 3.33 H new ATOM 379 N MET A 24 3.747 21.745 5.708 1.00 1.10 N ATOM 380 CA MET A 24 2.470 22.249 6.201 1.00 63.30 C ATOM 381 C MET A 24 1.364 21.219 5.996 1.00 71.14 C ATOM 382 O MET A 24 0.703 20.806 6.948 1.00 1.01 O ATOM 383 CB MET A 24 2.105 23.555 5.493 1.00 63.21 C ATOM 384 CG MET A 24 2.925 24.748 5.957 1.00 23.52 C ATOM 385 SD MET A 24 2.585 25.200 7.669 1.00 2.21 S ATOM 386 CE MET A 24 0.914 25.828 7.528 1.00 52.35 C ATOM 0 H MET A 24 4.039 22.138 4.813 1.00 1.10 H new ATOM 0 HA MET A 24 2.571 22.440 7.269 1.00 63.30 H new ATOM 0 HB2 MET A 24 2.241 23.427 4.419 1.00 63.21 H new ATOM 0 HB3 MET A 24 1.048 23.765 5.658 1.00 63.21 H new ATOM 0 HG2 MET A 24 3.985 24.519 5.849 1.00 23.52 H new ATOM 0 HG3 MET A 24 2.716 25.601 5.312 1.00 23.52 H new ATOM 0 HE1 MET A 24 0.347 25.558 8.419 1.00 52.35 H new ATOM 0 HE2 MET A 24 0.940 26.913 7.430 1.00 52.35 H new ATOM 0 HE3 MET A 24 0.436 25.396 6.649 1.00 52.35 H new ATOM 536 N ILE A 33 -0.738 17.395 -2.543 1.00 30.43 N ATOM 537 CA ILE A 33 -0.699 18.302 -1.403 1.00 24.14 C ATOM 538 C ILE A 33 -1.451 19.594 -1.702 1.00 33.11 C ATOM 539 O ILE A 33 -1.551 20.012 -2.855 1.00 4.31 O ATOM 540 CB ILE A 33 0.749 18.645 -1.006 1.00 25.23 C ATOM 541 CG1 ILE A 33 1.630 17.396 -1.076 1.00 61.53 C ATOM 542 CG2 ILE A 33 0.787 19.248 0.390 1.00 23.15 C ATOM 543 CD1 ILE A 33 3.080 17.658 -0.732 1.00 74.23 C ATOM 0 HA ILE A 33 -1.183 17.786 -0.573 1.00 24.14 H new ATOM 0 HB ILE A 33 1.138 19.381 -1.710 1.00 25.23 H new ATOM 0 HG12 ILE A 33 1.234 16.643 -0.394 1.00 61.53 H new ATOM 0 HG13 ILE A 33 1.573 16.977 -2.081 1.00 61.53 H new ATOM 0 HG21 ILE A 33 1.817 19.485 0.656 1.00 23.15 H new ATOM 0 HG22 ILE A 33 0.189 20.159 0.409 1.00 23.15 H new ATOM 0 HG23 ILE A 33 0.383 18.533 1.106 1.00 23.15 H new ATOM 0 HD11 ILE A 33 3.644 16.728 -0.803 1.00 74.23 H new ATOM 0 HD12 ILE A 33 3.493 18.387 -1.429 1.00 74.23 H new ATOM 0 HD13 ILE A 33 3.148 18.048 0.284 1.00 74.23 H new ATOM 555 N GLN A 34 -1.978 20.222 -0.655 1.00 61.53 N ATOM 556 CA GLN A 34 -2.721 21.467 -0.807 1.00 3.14 C ATOM 557 C GLN A 34 -2.587 22.335 0.440 1.00 13.31 C ATOM 558 O GLN A 34 -2.617 21.834 1.564 1.00 1.33 O ATOM 559 CB GLN A 34 -4.196 21.175 -1.084 1.00 14.04 C ATOM 560 CG GLN A 34 -4.435 20.428 -2.386 1.00 23.21 C ATOM 561 CD GLN A 34 -4.343 18.924 -2.221 1.00 24.41 C ATOM 562 OE1 GLN A 34 -3.997 18.425 -1.149 1.00 41.13 O ATOM 563 NE2 GLN A 34 -4.652 18.191 -3.284 1.00 55.12 N ATOM 0 H GLN A 34 -1.904 19.889 0.306 1.00 61.53 H new ATOM 0 HA GLN A 34 -2.301 22.011 -1.653 1.00 3.14 H new ATOM 0 HB2 GLN A 34 -4.603 20.590 -0.259 1.00 14.04 H new ATOM 0 HB3 GLN A 34 -4.746 22.116 -1.109 1.00 14.04 H new ATOM 0 HG2 GLN A 34 -5.420 20.688 -2.774 1.00 23.21 H new ATOM 0 HG3 GLN A 34 -3.705 20.754 -3.127 1.00 23.21 H new ATOM 0 HE21 GLN A 34 -4.934 18.646 -4.153 1.00 55.12 H new ATOM 0 HE22 GLN A 34 -4.608 17.173 -3.232 1.00 55.12 H new ATOM 572 N VAL A 35 -2.440 23.640 0.234 1.00 41.23 N ATOM 573 CA VAL A 35 -2.303 24.579 1.341 1.00 65.31 C ATOM 574 C VAL A 35 -2.750 25.978 0.934 1.00 44.22 C ATOM 575 O VAL A 35 -2.678 26.349 -0.238 1.00 41.23 O ATOM 576 CB VAL A 35 -0.849 24.643 1.845 1.00 23.45 C ATOM 577 CG1 VAL A 35 -0.528 23.430 2.706 1.00 12.11 C ATOM 578 CG2 VAL A 35 0.117 24.746 0.675 1.00 61.03 C ATOM 0 H VAL A 35 -2.413 24.071 -0.690 1.00 41.23 H new ATOM 0 HA VAL A 35 -2.943 24.216 2.145 1.00 65.31 H new ATOM 0 HB VAL A 35 -0.736 25.536 2.460 1.00 23.45 H new ATOM 0 HG11 VAL A 35 0.503 23.493 3.053 1.00 12.11 H new ATOM 0 HG12 VAL A 35 -1.199 23.406 3.565 1.00 12.11 H new ATOM 0 HG13 VAL A 35 -0.658 22.522 2.118 1.00 12.11 H new ATOM 0 HG21 VAL A 35 1.139 24.790 1.050 1.00 61.03 H new ATOM 0 HG22 VAL A 35 0.004 23.873 0.032 1.00 61.03 H new ATOM 0 HG23 VAL A 35 -0.099 25.649 0.103 1.00 61.03 H new ATOM 588 N THR A 36 -3.212 26.753 1.910 1.00 3.41 N ATOM 589 CA THR A 36 -3.671 28.112 1.654 1.00 14.51 C ATOM 590 C THR A 36 -2.510 29.099 1.675 1.00 4.14 C ATOM 591 O THR A 36 -1.491 28.861 2.325 1.00 35.24 O ATOM 592 CB THR A 36 -4.724 28.554 2.689 1.00 62.22 C ATOM 593 OG1 THR A 36 -4.268 28.248 4.012 1.00 54.34 O ATOM 594 CG2 THR A 36 -6.056 27.865 2.434 1.00 63.54 C ATOM 0 H THR A 36 -3.278 26.462 2.885 1.00 3.41 H new ATOM 0 HA THR A 36 -4.124 28.110 0.663 1.00 14.51 H new ATOM 0 HB THR A 36 -4.866 29.630 2.594 1.00 62.22 H new ATOM 0 HG1 THR A 36 -4.942 28.533 4.664 1.00 54.34 H new ATOM 0 HG21 THR A 36 -6.783 28.193 3.177 1.00 63.54 H new ATOM 0 HG22 THR A 36 -6.414 28.123 1.437 1.00 63.54 H new ATOM 0 HG23 THR A 36 -5.926 26.785 2.505 1.00 63.54 H new ATOM 602 N PHE A 37 -2.668 30.208 0.961 1.00 13.51 N ATOM 603 CA PHE A 37 -1.632 31.232 0.898 1.00 25.00 C ATOM 604 C PHE A 37 -1.202 31.658 2.299 1.00 40.12 C ATOM 605 O PHE A 37 -0.012 31.709 2.607 1.00 61.14 O ATOM 606 CB PHE A 37 -2.132 32.447 0.114 1.00 43.00 C ATOM 607 CG PHE A 37 -1.300 33.680 0.324 1.00 64.33 C ATOM 608 CD1 PHE A 37 0.084 33.615 0.272 1.00 55.14 C ATOM 609 CD2 PHE A 37 -1.900 34.903 0.572 1.00 15.24 C ATOM 610 CE1 PHE A 37 0.851 34.748 0.465 1.00 24.21 C ATOM 611 CE2 PHE A 37 -1.138 36.040 0.766 1.00 23.52 C ATOM 612 CZ PHE A 37 0.240 35.962 0.711 1.00 21.34 C ATOM 0 H PHE A 37 -3.504 30.421 0.417 1.00 13.51 H new ATOM 0 HA PHE A 37 -0.769 30.808 0.385 1.00 25.00 H new ATOM 0 HB2 PHE A 37 -2.145 32.204 -0.948 1.00 43.00 H new ATOM 0 HB3 PHE A 37 -3.161 32.659 0.405 1.00 43.00 H new ATOM 0 HD1 PHE A 37 0.568 32.669 0.079 1.00 55.14 H new ATOM 0 HD2 PHE A 37 -2.977 34.969 0.614 1.00 15.24 H new ATOM 0 HE1 PHE A 37 1.928 34.684 0.423 1.00 24.21 H new ATOM 0 HE2 PHE A 37 -1.619 36.987 0.960 1.00 23.52 H new ATOM 0 HZ PHE A 37 0.838 36.849 0.860 1.00 21.34 H new ATOM 622 N GLY A 38 -2.181 31.964 3.144 1.00 14.53 N ATOM 623 CA GLY A 38 -1.886 32.383 4.502 1.00 45.10 C ATOM 624 C GLY A 38 -0.959 31.420 5.217 1.00 61.32 C ATOM 625 O GLY A 38 0.014 31.836 5.845 1.00 70.22 O ATOM 0 H GLY A 38 -3.174 31.929 2.913 1.00 14.53 H new ATOM 0 HA2 GLY A 38 -1.431 33.373 4.483 1.00 45.10 H new ATOM 0 HA3 GLY A 38 -2.817 32.470 5.062 1.00 45.10 H new ATOM 629 N GLU A 39 -1.263 30.129 5.123 1.00 65.14 N ATOM 630 CA GLU A 39 -0.450 29.105 5.768 1.00 21.42 C ATOM 631 C GLU A 39 0.937 29.031 5.135 1.00 35.11 C ATOM 632 O GLU A 39 1.952 29.069 5.831 1.00 42.41 O ATOM 633 CB GLU A 39 -1.139 27.742 5.674 1.00 23.54 C ATOM 634 CG GLU A 39 -2.014 27.418 6.873 1.00 14.22 C ATOM 635 CD GLU A 39 -2.787 26.125 6.699 1.00 13.24 C ATOM 636 OE1 GLU A 39 -3.917 26.175 6.170 1.00 41.23 O ATOM 637 OE2 GLU A 39 -2.261 25.063 7.093 1.00 35.02 O ATOM 0 H GLU A 39 -2.065 29.768 4.607 1.00 65.14 H new ATOM 0 HA GLU A 39 -0.337 29.376 6.818 1.00 21.42 H new ATOM 0 HB2 GLU A 39 -1.749 27.714 4.771 1.00 23.54 H new ATOM 0 HB3 GLU A 39 -0.380 26.967 5.569 1.00 23.54 H new ATOM 0 HG2 GLU A 39 -1.391 27.347 7.764 1.00 14.22 H new ATOM 0 HG3 GLU A 39 -2.715 28.236 7.038 1.00 14.22 H new ATOM 644 N LEU A 40 0.971 28.924 3.811 1.00 32.04 N ATOM 645 CA LEU A 40 2.232 28.844 3.083 1.00 41.13 C ATOM 646 C LEU A 40 3.144 30.012 3.443 1.00 3.15 C ATOM 647 O LEU A 40 4.313 29.820 3.779 1.00 22.00 O ATOM 648 CB LEU A 40 1.973 28.831 1.575 1.00 11.32 C ATOM 649 CG LEU A 40 2.522 27.626 0.810 1.00 13.51 C ATOM 650 CD1 LEU A 40 2.274 27.784 -0.682 1.00 73.21 C ATOM 651 CD2 LEU A 40 4.007 27.448 1.090 1.00 52.31 C ATOM 0 H LEU A 40 0.140 28.891 3.220 1.00 32.04 H new ATOM 0 HA LEU A 40 2.729 27.917 3.369 1.00 41.13 H new ATOM 0 HB2 LEU A 40 0.897 28.880 1.411 1.00 11.32 H new ATOM 0 HB3 LEU A 40 2.403 29.736 1.145 1.00 11.32 H new ATOM 0 HG LEU A 40 1.999 26.733 1.152 1.00 13.51 H new ATOM 0 HD11 LEU A 40 2.671 26.917 -1.211 1.00 73.21 H new ATOM 0 HD12 LEU A 40 1.203 27.862 -0.866 1.00 73.21 H new ATOM 0 HD13 LEU A 40 2.770 28.686 -1.040 1.00 73.21 H new ATOM 0 HD21 LEU A 40 4.381 26.586 0.537 1.00 52.31 H new ATOM 0 HD22 LEU A 40 4.546 28.342 0.776 1.00 52.31 H new ATOM 0 HD23 LEU A 40 4.159 27.289 2.157 1.00 52.31 H new ATOM 663 N PHE A 41 2.602 31.223 3.374 1.00 12.20 N ATOM 664 CA PHE A 41 3.366 32.423 3.694 1.00 23.05 C ATOM 665 C PHE A 41 3.873 32.377 5.133 1.00 31.11 C ATOM 666 O PHE A 41 5.063 32.562 5.390 1.00 73.13 O ATOM 667 CB PHE A 41 2.508 33.672 3.484 1.00 73.10 C ATOM 668 CG PHE A 41 3.304 34.944 3.425 1.00 63.11 C ATOM 669 CD1 PHE A 41 3.852 35.379 2.229 1.00 52.02 C ATOM 670 CD2 PHE A 41 3.505 35.705 4.565 1.00 21.33 C ATOM 671 CE1 PHE A 41 4.586 36.549 2.172 1.00 72.30 C ATOM 672 CE2 PHE A 41 4.238 36.876 4.515 1.00 71.44 C ATOM 673 CZ PHE A 41 4.778 37.299 3.316 1.00 60.41 C ATOM 0 H PHE A 41 1.636 31.400 3.099 1.00 12.20 H new ATOM 0 HA PHE A 41 4.225 32.465 3.025 1.00 23.05 H new ATOM 0 HB2 PHE A 41 1.943 33.563 2.558 1.00 73.10 H new ATOM 0 HB3 PHE A 41 1.782 33.745 4.294 1.00 73.10 H new ATOM 0 HD1 PHE A 41 3.704 34.797 1.331 1.00 52.02 H new ATOM 0 HD2 PHE A 41 3.084 35.379 5.505 1.00 21.33 H new ATOM 0 HE1 PHE A 41 5.009 36.876 1.234 1.00 72.30 H new ATOM 0 HE2 PHE A 41 4.388 37.459 5.412 1.00 71.44 H new ATOM 0 HZ PHE A 41 5.349 38.215 3.273 1.00 60.41 H new ATOM 683 N ASP A 42 2.961 32.130 6.067 1.00 24.42 N ATOM 684 CA ASP A 42 3.314 32.059 7.480 1.00 25.43 C ATOM 685 C ASP A 42 4.373 30.987 7.723 1.00 43.44 C ATOM 686 O ASP A 42 5.035 30.978 8.761 1.00 51.32 O ATOM 687 CB ASP A 42 2.073 31.766 8.324 1.00 12.11 C ATOM 688 CG ASP A 42 2.404 31.562 9.789 1.00 34.05 C ATOM 689 OD1 ASP A 42 2.740 32.556 10.465 1.00 1.44 O ATOM 690 OD2 ASP A 42 2.327 30.408 10.260 1.00 32.43 O ATOM 0 H ASP A 42 1.972 31.976 5.871 1.00 24.42 H new ATOM 0 HA ASP A 42 3.725 33.025 7.775 1.00 25.43 H new ATOM 0 HB2 ASP A 42 1.367 32.591 8.225 1.00 12.11 H new ATOM 0 HB3 ASP A 42 1.578 30.875 7.939 1.00 12.11 H new ATOM 695 N ARG A 43 4.527 30.086 6.758 1.00 21.14 N ATOM 696 CA ARG A 43 5.504 29.009 6.868 1.00 33.11 C ATOM 697 C ARG A 43 6.828 29.408 6.225 1.00 43.55 C ATOM 698 O ARG A 43 7.900 29.036 6.703 1.00 71.22 O ATOM 699 CB ARG A 43 4.968 27.737 6.209 1.00 34.44 C ATOM 700 CG ARG A 43 6.027 26.668 5.997 1.00 64.13 C ATOM 701 CD ARG A 43 6.703 26.285 7.304 1.00 13.03 C ATOM 702 NE ARG A 43 7.795 25.338 7.099 1.00 30.43 N ATOM 703 CZ ARG A 43 8.574 24.891 8.078 1.00 33.22 C ATOM 704 NH1 ARG A 43 8.381 25.303 9.324 1.00 61.14 N ATOM 705 NH2 ARG A 43 9.547 24.029 7.812 1.00 4.34 N ATOM 0 H ARG A 43 3.988 30.080 5.892 1.00 21.14 H new ATOM 0 HA ARG A 43 5.678 28.817 7.927 1.00 33.11 H new ATOM 0 HB2 ARG A 43 4.169 27.327 6.827 1.00 34.44 H new ATOM 0 HB3 ARG A 43 4.527 27.995 5.246 1.00 34.44 H new ATOM 0 HG2 ARG A 43 5.570 25.785 5.551 1.00 64.13 H new ATOM 0 HG3 ARG A 43 6.775 27.030 5.292 1.00 64.13 H new ATOM 0 HD2 ARG A 43 7.088 27.182 7.789 1.00 13.03 H new ATOM 0 HD3 ARG A 43 5.966 25.848 7.979 1.00 13.03 H new ATOM 0 HE ARG A 43 7.969 25.001 6.152 1.00 30.43 H new ATOM 0 HH11 ARG A 43 7.633 25.965 9.532 1.00 61.14 H new ATOM 0 HH12 ARG A 43 8.980 24.958 10.074 1.00 61.14 H new ATOM 0 HH21 ARG A 43 9.697 23.709 6.855 1.00 4.34 H new ATOM 0 HH22 ARG A 43 10.145 23.686 8.564 1.00 4.34 H new ATOM 719 N TYR A 44 6.747 30.168 5.138 1.00 75.23 N ATOM 720 CA TYR A 44 7.938 30.615 4.427 1.00 42.53 C ATOM 721 C TYR A 44 8.584 31.800 5.138 1.00 2.41 C ATOM 722 O TYR A 44 9.786 32.035 5.013 1.00 62.12 O ATOM 723 CB TYR A 44 7.585 31.000 2.989 1.00 44.11 C ATOM 724 CG TYR A 44 8.084 30.013 1.958 1.00 20.42 C ATOM 725 CD1 TYR A 44 9.360 30.126 1.420 1.00 60.33 C ATOM 726 CD2 TYR A 44 7.279 28.967 1.522 1.00 3.50 C ATOM 727 CE1 TYR A 44 9.820 29.226 0.477 1.00 12.32 C ATOM 728 CE2 TYR A 44 7.731 28.063 0.581 1.00 23.31 C ATOM 729 CZ TYR A 44 9.002 28.196 0.062 1.00 50.34 C ATOM 730 OH TYR A 44 9.455 27.298 -0.877 1.00 23.10 O ATOM 0 H TYR A 44 5.868 30.487 4.730 1.00 75.23 H new ATOM 0 HA TYR A 44 8.651 29.791 4.411 1.00 42.53 H new ATOM 0 HB2 TYR A 44 6.502 31.088 2.901 1.00 44.11 H new ATOM 0 HB3 TYR A 44 8.004 31.983 2.772 1.00 44.11 H new ATOM 0 HD1 TYR A 44 10.003 30.931 1.744 1.00 60.33 H new ATOM 0 HD2 TYR A 44 6.283 28.859 1.926 1.00 3.50 H new ATOM 0 HE1 TYR A 44 10.814 29.329 0.068 1.00 12.32 H new ATOM 0 HE2 TYR A 44 7.093 27.256 0.253 1.00 23.31 H new ATOM 0 HH TYR A 44 8.757 26.634 -1.058 1.00 23.10 H new ATOM 740 N VAL A 45 7.776 32.545 5.887 1.00 64.04 N ATOM 741 CA VAL A 45 8.268 33.705 6.620 1.00 14.15 C ATOM 742 C VAL A 45 9.414 33.322 7.550 1.00 51.41 C ATOM 743 O VAL A 45 10.283 34.141 7.850 1.00 14.34 O ATOM 744 CB VAL A 45 7.147 34.361 7.449 1.00 52.03 C ATOM 745 CG1 VAL A 45 6.066 34.921 6.536 1.00 5.43 C ATOM 746 CG2 VAL A 45 6.559 33.362 8.434 1.00 12.20 C ATOM 0 H VAL A 45 6.778 32.365 6.002 1.00 64.04 H new ATOM 0 HA VAL A 45 8.628 34.419 5.879 1.00 14.15 H new ATOM 0 HB VAL A 45 7.574 35.188 8.016 1.00 52.03 H new ATOM 0 HG11 VAL A 45 5.283 35.380 7.139 1.00 5.43 H new ATOM 0 HG12 VAL A 45 6.501 35.670 5.874 1.00 5.43 H new ATOM 0 HG13 VAL A 45 5.639 34.114 5.940 1.00 5.43 H new ATOM 0 HG21 VAL A 45 5.769 33.842 9.011 1.00 12.20 H new ATOM 0 HG22 VAL A 45 6.146 32.514 7.889 1.00 12.20 H new ATOM 0 HG23 VAL A 45 7.341 33.013 9.109 1.00 12.20 H new ATOM 756 N ARG A 46 9.410 32.073 8.002 1.00 70.42 N ATOM 757 CA ARG A 46 10.449 31.581 8.898 1.00 5.00 C ATOM 758 C ARG A 46 11.628 31.020 8.108 1.00 42.33 C ATOM 759 O ARG A 46 12.523 30.390 8.672 1.00 35.51 O ATOM 760 CB ARG A 46 9.885 30.504 9.826 1.00 60.42 C ATOM 761 CG ARG A 46 9.728 30.962 11.266 1.00 33.35 C ATOM 762 CD ARG A 46 9.348 29.807 12.180 1.00 24.21 C ATOM 763 NE ARG A 46 7.923 29.807 12.500 1.00 63.05 N ATOM 764 CZ ARG A 46 7.377 30.589 13.424 1.00 45.30 C ATOM 765 NH1 ARG A 46 8.134 31.430 14.116 1.00 14.21 N ATOM 766 NH2 ARG A 46 6.072 30.532 13.657 1.00 25.23 N ATOM 0 H ARG A 46 8.698 31.383 7.762 1.00 70.42 H new ATOM 0 HA ARG A 46 10.802 32.420 9.498 1.00 5.00 H new ATOM 0 HB2 ARG A 46 8.914 30.183 9.448 1.00 60.42 H new ATOM 0 HB3 ARG A 46 10.541 29.634 9.800 1.00 60.42 H new ATOM 0 HG2 ARG A 46 10.661 31.408 11.611 1.00 33.35 H new ATOM 0 HG3 ARG A 46 8.964 31.737 11.321 1.00 33.35 H new ATOM 0 HD2 ARG A 46 9.612 28.864 11.701 1.00 24.21 H new ATOM 0 HD3 ARG A 46 9.926 29.869 13.102 1.00 24.21 H new ATOM 0 HE ARG A 46 7.314 29.171 11.985 1.00 63.05 H new ATOM 0 HH11 ARG A 46 9.137 31.477 13.939 1.00 14.21 H new ATOM 0 HH12 ARG A 46 7.713 32.030 14.825 1.00 14.21 H new ATOM 0 HH21 ARG A 46 5.487 29.887 13.126 1.00 25.23 H new ATOM 0 HH22 ARG A 46 5.654 31.133 14.367 1.00 25.23 H new ATOM 780 N ILE A 47 11.622 31.254 6.800 1.00 53.32 N ATOM 781 CA ILE A 47 12.690 30.773 5.933 1.00 42.21 C ATOM 782 C ILE A 47 13.198 31.883 5.018 1.00 31.14 C ATOM 783 O ILE A 47 14.308 32.385 5.192 1.00 63.00 O ATOM 784 CB ILE A 47 12.224 29.586 5.070 1.00 33.33 C ATOM 785 CG1 ILE A 47 11.800 28.416 5.961 1.00 62.33 C ATOM 786 CG2 ILE A 47 13.328 29.159 4.115 1.00 22.31 C ATOM 787 CD1 ILE A 47 10.717 27.553 5.351 1.00 42.41 C ATOM 0 H ILE A 47 10.889 31.774 6.318 1.00 53.32 H new ATOM 0 HA ILE A 47 13.499 30.443 6.584 1.00 42.21 H new ATOM 0 HB ILE A 47 11.363 29.900 4.480 1.00 33.33 H new ATOM 0 HG12 ILE A 47 12.671 27.796 6.172 1.00 62.33 H new ATOM 0 HG13 ILE A 47 11.448 28.806 6.916 1.00 62.33 H new ATOM 0 HG21 ILE A 47 12.983 28.319 3.512 1.00 22.31 H new ATOM 0 HG22 ILE A 47 13.587 29.992 3.462 1.00 22.31 H new ATOM 0 HG23 ILE A 47 14.207 28.859 4.686 1.00 22.31 H new ATOM 0 HD11 ILE A 47 10.467 26.744 6.037 1.00 42.41 H new ATOM 0 HD12 ILE A 47 9.830 28.159 5.165 1.00 42.41 H new ATOM 0 HD13 ILE A 47 11.073 27.133 4.410 1.00 42.41 H new ATOM 799 N SER A 48 12.376 32.262 4.045 1.00 42.30 N ATOM 800 CA SER A 48 12.742 33.312 3.101 1.00 24.22 C ATOM 801 C SER A 48 11.718 34.442 3.122 1.00 41.34 C ATOM 802 O SER A 48 12.052 35.602 2.876 1.00 73.42 O ATOM 803 CB SER A 48 12.858 32.738 1.688 1.00 54.24 C ATOM 804 OG SER A 48 13.988 33.264 1.014 1.00 2.34 O ATOM 0 H SER A 48 11.452 31.858 3.889 1.00 42.30 H new ATOM 0 HA SER A 48 13.709 33.716 3.401 1.00 24.22 H new ATOM 0 HB2 SER A 48 12.934 31.652 1.739 1.00 54.24 H new ATOM 0 HB3 SER A 48 11.954 32.968 1.123 1.00 54.24 H new ATOM 0 HG SER A 48 14.133 32.767 0.182 1.00 2.34 H new ATOM 810 N ASP A 49 10.470 34.096 3.416 1.00 30.23 N ATOM 811 CA ASP A 49 9.396 35.080 3.470 1.00 14.42 C ATOM 812 C ASP A 49 9.091 35.630 2.080 1.00 65.41 C ATOM 813 O ASP A 49 9.218 36.829 1.833 1.00 43.13 O ATOM 814 CB ASP A 49 9.770 36.225 4.413 1.00 24.44 C ATOM 815 CG ASP A 49 8.554 36.921 4.991 1.00 31.21 C ATOM 816 OD1 ASP A 49 7.450 36.745 4.435 1.00 60.51 O ATOM 817 OD2 ASP A 49 8.706 37.643 5.999 1.00 32.20 O ATOM 0 H ASP A 49 10.177 33.141 3.621 1.00 30.23 H new ATOM 0 HA ASP A 49 8.503 34.584 3.849 1.00 14.42 H new ATOM 0 HB2 ASP A 49 10.383 35.836 5.226 1.00 24.44 H new ATOM 0 HB3 ASP A 49 10.379 36.951 3.874 1.00 24.44 H new ATOM 822 N LYS A 50 8.690 34.744 1.174 1.00 4.02 N ATOM 823 CA LYS A 50 8.368 35.139 -0.192 1.00 33.51 C ATOM 824 C LYS A 50 7.826 33.955 -0.987 1.00 31.45 C ATOM 825 O LYS A 50 8.178 33.762 -2.150 1.00 65.41 O ATOM 826 CB LYS A 50 9.607 35.708 -0.886 1.00 52.32 C ATOM 827 CG LYS A 50 10.699 34.679 -1.122 1.00 52.42 C ATOM 828 CD LYS A 50 11.991 35.068 -0.424 1.00 22.44 C ATOM 829 CE LYS A 50 12.524 36.397 -0.936 1.00 21.20 C ATOM 830 NZ LYS A 50 12.644 37.404 0.155 1.00 71.24 N ATOM 0 H LYS A 50 8.580 33.747 1.362 1.00 4.02 H new ATOM 0 HA LYS A 50 7.598 35.909 -0.149 1.00 33.51 H new ATOM 0 HB2 LYS A 50 9.312 36.138 -1.843 1.00 52.32 H new ATOM 0 HB3 LYS A 50 10.010 36.521 -0.282 1.00 52.32 H new ATOM 0 HG2 LYS A 50 10.368 33.706 -0.760 1.00 52.42 H new ATOM 0 HG3 LYS A 50 10.879 34.577 -2.192 1.00 52.42 H new ATOM 0 HD2 LYS A 50 11.820 35.133 0.650 1.00 22.44 H new ATOM 0 HD3 LYS A 50 12.739 34.290 -0.581 1.00 22.44 H new ATOM 0 HE2 LYS A 50 13.500 36.244 -1.397 1.00 21.20 H new ATOM 0 HE3 LYS A 50 11.861 36.780 -1.712 1.00 21.20 H new ATOM 0 HZ1 LYS A 50 13.011 38.296 -0.235 1.00 71.24 H new ATOM 0 HZ2 LYS A 50 11.709 37.570 0.579 1.00 71.24 H new ATOM 0 HZ3 LYS A 50 13.297 37.050 0.884 1.00 71.24 H new ATOM 844 N VAL A 51 6.966 33.165 -0.351 1.00 52.01 N ATOM 845 CA VAL A 51 6.373 32.002 -1.000 1.00 22.52 C ATOM 846 C VAL A 51 5.725 32.383 -2.326 1.00 35.52 C ATOM 847 O VAL A 51 5.912 31.707 -3.338 1.00 11.12 O ATOM 848 CB VAL A 51 5.318 31.333 -0.098 1.00 64.23 C ATOM 849 CG1 VAL A 51 4.290 32.352 0.367 1.00 1.34 C ATOM 850 CG2 VAL A 51 4.646 30.181 -0.830 1.00 30.01 C ATOM 0 H VAL A 51 6.665 33.310 0.613 1.00 52.01 H new ATOM 0 HA VAL A 51 7.182 31.296 -1.185 1.00 22.52 H new ATOM 0 HB VAL A 51 5.819 30.931 0.782 1.00 64.23 H new ATOM 0 HG11 VAL A 51 3.553 31.861 1.003 1.00 1.34 H new ATOM 0 HG12 VAL A 51 4.788 33.140 0.931 1.00 1.34 H new ATOM 0 HG13 VAL A 51 3.790 32.786 -0.499 1.00 1.34 H new ATOM 0 HG21 VAL A 51 3.904 29.720 -0.179 1.00 30.01 H new ATOM 0 HG22 VAL A 51 4.157 30.557 -1.729 1.00 30.01 H new ATOM 0 HG23 VAL A 51 5.395 29.440 -1.108 1.00 30.01 H new ATOM 860 N VAL A 52 4.960 33.470 -2.314 1.00 4.24 N ATOM 861 CA VAL A 52 4.284 33.943 -3.516 1.00 4.13 C ATOM 862 C VAL A 52 5.274 34.153 -4.656 1.00 41.21 C ATOM 863 O VAL A 52 5.011 33.778 -5.798 1.00 32.13 O ATOM 864 CB VAL A 52 3.532 35.261 -3.255 1.00 14.24 C ATOM 865 CG1 VAL A 52 3.047 35.868 -4.563 1.00 33.44 C ATOM 866 CG2 VAL A 52 2.369 35.030 -2.301 1.00 51.31 C ATOM 0 H VAL A 52 4.793 34.040 -1.485 1.00 4.24 H new ATOM 0 HA VAL A 52 3.566 33.173 -3.799 1.00 4.13 H new ATOM 0 HB VAL A 52 4.220 35.966 -2.789 1.00 14.24 H new ATOM 0 HG11 VAL A 52 2.518 36.799 -4.358 1.00 33.44 H new ATOM 0 HG12 VAL A 52 3.901 36.071 -5.209 1.00 33.44 H new ATOM 0 HG13 VAL A 52 2.374 35.170 -5.061 1.00 33.44 H new ATOM 0 HG21 VAL A 52 1.848 35.972 -2.127 1.00 51.31 H new ATOM 0 HG22 VAL A 52 1.678 34.309 -2.737 1.00 51.31 H new ATOM 0 HG23 VAL A 52 2.746 34.644 -1.354 1.00 51.31 H new ATOM 876 N GLY A 53 6.416 34.756 -4.338 1.00 51.22 N ATOM 877 CA GLY A 53 7.429 35.006 -5.347 1.00 31.20 C ATOM 878 C GLY A 53 7.939 33.729 -5.984 1.00 63.34 C ATOM 879 O GLY A 53 8.280 33.711 -7.168 1.00 3.25 O ATOM 0 H GLY A 53 6.657 35.076 -3.400 1.00 51.22 H new ATOM 0 HA2 GLY A 53 7.016 35.654 -6.120 1.00 31.20 H new ATOM 0 HA3 GLY A 53 8.264 35.541 -4.895 1.00 31.20 H new ATOM 883 N ILE A 54 7.994 32.658 -5.199 1.00 54.23 N ATOM 884 CA ILE A 54 8.467 31.372 -5.695 1.00 31.44 C ATOM 885 C ILE A 54 7.400 30.681 -6.537 1.00 61.32 C ATOM 886 O ILE A 54 7.710 30.007 -7.521 1.00 21.13 O ATOM 887 CB ILE A 54 8.876 30.439 -4.539 1.00 14.32 C ATOM 888 CG1 ILE A 54 9.937 31.110 -3.664 1.00 40.15 C ATOM 889 CG2 ILE A 54 9.390 29.115 -5.083 1.00 74.22 C ATOM 890 CD1 ILE A 54 9.678 30.964 -2.181 1.00 45.12 C ATOM 0 H ILE A 54 7.717 32.656 -4.217 1.00 54.23 H new ATOM 0 HA ILE A 54 9.340 31.575 -6.315 1.00 31.44 H new ATOM 0 HB ILE A 54 7.998 30.240 -3.924 1.00 14.32 H new ATOM 0 HG12 ILE A 54 10.912 30.683 -3.898 1.00 40.15 H new ATOM 0 HG13 ILE A 54 9.985 32.170 -3.914 1.00 40.15 H new ATOM 0 HG21 ILE A 54 9.675 28.467 -4.254 1.00 74.22 H new ATOM 0 HG22 ILE A 54 8.606 28.633 -5.668 1.00 74.22 H new ATOM 0 HG23 ILE A 54 10.258 29.295 -5.718 1.00 74.22 H new ATOM 0 HD11 ILE A 54 10.470 31.464 -1.622 1.00 45.12 H new ATOM 0 HD12 ILE A 54 8.718 31.416 -1.933 1.00 45.12 H new ATOM 0 HD13 ILE A 54 9.660 29.907 -1.917 1.00 45.12 H new ATOM 902 N LEU A 55 6.142 30.854 -6.147 1.00 22.52 N ATOM 903 CA LEU A 55 5.027 30.248 -6.867 1.00 44.33 C ATOM 904 C LEU A 55 5.103 30.569 -8.357 1.00 24.14 C ATOM 905 O LEU A 55 4.675 29.776 -9.195 1.00 15.33 O ATOM 906 CB LEU A 55 3.697 30.741 -6.295 1.00 61.22 C ATOM 907 CG LEU A 55 3.378 30.303 -4.865 1.00 43.12 C ATOM 908 CD1 LEU A 55 2.175 31.064 -4.330 1.00 5.24 C ATOM 909 CD2 LEU A 55 3.130 28.803 -4.809 1.00 64.34 C ATOM 0 H LEU A 55 5.868 31.409 -5.336 1.00 22.52 H new ATOM 0 HA LEU A 55 5.090 29.167 -6.743 1.00 44.33 H new ATOM 0 HB2 LEU A 55 3.691 31.830 -6.330 1.00 61.22 H new ATOM 0 HB3 LEU A 55 2.894 30.397 -6.947 1.00 61.22 H new ATOM 0 HG LEU A 55 4.237 30.533 -4.235 1.00 43.12 H new ATOM 0 HD11 LEU A 55 1.963 30.739 -3.311 1.00 5.24 H new ATOM 0 HD12 LEU A 55 2.390 32.133 -4.333 1.00 5.24 H new ATOM 0 HD13 LEU A 55 1.309 30.866 -4.962 1.00 5.24 H new ATOM 0 HD21 LEU A 55 2.905 28.510 -3.784 1.00 64.34 H new ATOM 0 HD22 LEU A 55 2.288 28.549 -5.453 1.00 64.34 H new ATOM 0 HD23 LEU A 55 4.020 28.274 -5.150 1.00 64.34 H new ATOM 921 N MET A 56 5.654 31.735 -8.678 1.00 52.03 N ATOM 922 CA MET A 56 5.789 32.159 -10.067 1.00 61.52 C ATOM 923 C MET A 56 6.565 31.125 -10.878 1.00 31.14 C ATOM 924 O MET A 56 6.232 30.849 -12.030 1.00 74.31 O ATOM 925 CB MET A 56 6.492 33.515 -10.143 1.00 0.31 C ATOM 926 CG MET A 56 5.805 34.602 -9.331 1.00 62.43 C ATOM 927 SD MET A 56 5.516 36.104 -10.286 1.00 22.23 S ATOM 928 CE MET A 56 6.332 37.321 -9.256 1.00 12.41 C ATOM 0 H MET A 56 6.014 32.403 -7.996 1.00 52.03 H new ATOM 0 HA MET A 56 4.789 32.252 -10.491 1.00 61.52 H new ATOM 0 HB2 MET A 56 7.518 33.404 -9.791 1.00 0.31 H new ATOM 0 HB3 MET A 56 6.545 33.830 -11.185 1.00 0.31 H new ATOM 0 HG2 MET A 56 4.853 34.225 -8.958 1.00 62.43 H new ATOM 0 HG3 MET A 56 6.416 34.841 -8.461 1.00 62.43 H new ATOM 0 HE1 MET A 56 6.240 38.306 -9.714 1.00 12.41 H new ATOM 0 HE2 MET A 56 5.866 37.335 -8.271 1.00 12.41 H new ATOM 0 HE3 MET A 56 7.387 37.064 -9.156 1.00 12.41 H new ATOM 938 N ARG A 57 7.601 30.557 -10.268 1.00 15.51 N ATOM 939 CA ARG A 57 8.424 29.556 -10.934 1.00 21.30 C ATOM 940 C ARG A 57 7.606 28.311 -11.264 1.00 74.00 C ATOM 941 O ARG A 57 7.637 27.816 -12.390 1.00 53.23 O ATOM 942 CB ARG A 57 9.616 29.177 -10.053 1.00 31.41 C ATOM 943 CG ARG A 57 10.395 27.976 -10.566 1.00 10.44 C ATOM 944 CD ARG A 57 11.525 27.600 -9.620 1.00 11.41 C ATOM 945 NE ARG A 57 12.518 28.665 -9.503 1.00 14.04 N ATOM 946 CZ ARG A 57 13.449 28.906 -10.419 1.00 14.01 C ATOM 947 NH1 ARG A 57 13.513 28.162 -11.515 1.00 4.15 N ATOM 948 NH2 ARG A 57 14.317 29.893 -10.241 1.00 0.34 N ATOM 0 H ARG A 57 7.890 30.774 -9.314 1.00 15.51 H new ATOM 0 HA ARG A 57 8.791 29.986 -11.866 1.00 21.30 H new ATOM 0 HB2 ARG A 57 10.289 30.031 -9.979 1.00 31.41 H new ATOM 0 HB3 ARG A 57 9.259 28.965 -9.045 1.00 31.41 H new ATOM 0 HG2 ARG A 57 9.721 27.128 -10.685 1.00 10.44 H new ATOM 0 HG3 ARG A 57 10.803 28.200 -11.552 1.00 10.44 H new ATOM 0 HD2 ARG A 57 11.114 27.377 -8.635 1.00 11.41 H new ATOM 0 HD3 ARG A 57 12.009 26.691 -9.977 1.00 11.41 H new ATOM 0 HE ARG A 57 12.495 29.256 -8.672 1.00 14.04 H new ATOM 0 HH11 ARG A 57 12.846 27.403 -11.656 1.00 4.15 H new ATOM 0 HH12 ARG A 57 14.229 28.349 -12.217 1.00 4.15 H new ATOM 0 HH21 ARG A 57 14.270 30.468 -9.400 1.00 0.34 H new ATOM 0 HH22 ARG A 57 15.032 30.077 -10.945 1.00 0.34 H new ATOM 962 N ALA A 58 6.875 27.810 -10.274 1.00 15.04 N ATOM 963 CA ALA A 58 6.047 26.625 -10.459 1.00 31.40 C ATOM 964 C ALA A 58 4.909 26.897 -11.437 1.00 62.22 C ATOM 965 O ALA A 58 4.460 25.997 -12.147 1.00 34.00 O ATOM 966 CB ALA A 58 5.495 26.152 -9.122 1.00 55.23 C ATOM 0 H ALA A 58 6.839 28.207 -9.335 1.00 15.04 H new ATOM 0 HA ALA A 58 6.672 25.838 -10.880 1.00 31.40 H new ATOM 0 HB1 ALA A 58 4.879 25.266 -9.276 1.00 55.23 H new ATOM 0 HB2 ALA A 58 6.321 25.908 -8.453 1.00 55.23 H new ATOM 0 HB3 ALA A 58 4.890 26.943 -8.678 1.00 55.23 H new ATOM 972 N ARG A 59 4.448 28.143 -11.469 1.00 33.31 N ATOM 973 CA ARG A 59 3.361 28.532 -12.359 1.00 12.40 C ATOM 974 C ARG A 59 3.777 28.389 -13.820 1.00 53.11 C ATOM 975 O ARG A 59 2.940 28.175 -14.697 1.00 54.43 O ATOM 976 CB ARG A 59 2.935 29.975 -12.078 1.00 21.41 C ATOM 977 CG ARG A 59 1.609 30.354 -12.717 1.00 22.11 C ATOM 978 CD ARG A 59 1.583 31.821 -13.116 1.00 54.00 C ATOM 979 NE ARG A 59 1.178 32.002 -14.508 1.00 11.55 N ATOM 980 CZ ARG A 59 -0.074 31.870 -14.932 1.00 42.11 C ATOM 981 NH1 ARG A 59 -1.038 31.557 -14.077 1.00 43.32 N ATOM 982 NH2 ARG A 59 -0.363 32.051 -16.214 1.00 54.23 N ATOM 0 H ARG A 59 4.810 28.900 -10.889 1.00 33.31 H new ATOM 0 HA ARG A 59 2.517 27.868 -12.173 1.00 12.40 H new ATOM 0 HB2 ARG A 59 2.864 30.121 -11.000 1.00 21.41 H new ATOM 0 HB3 ARG A 59 3.710 30.651 -12.441 1.00 21.41 H new ATOM 0 HG2 ARG A 59 1.437 29.733 -13.596 1.00 22.11 H new ATOM 0 HG3 ARG A 59 0.796 30.151 -12.020 1.00 22.11 H new ATOM 0 HD2 ARG A 59 0.896 32.362 -12.465 1.00 54.00 H new ATOM 0 HD3 ARG A 59 2.572 32.255 -12.967 1.00 54.00 H new ATOM 0 HE ARG A 59 1.896 32.243 -15.192 1.00 11.55 H new ATOM 0 HH11 ARG A 59 -0.819 31.417 -13.091 1.00 43.32 H new ATOM 0 HH12 ARG A 59 -1.998 31.456 -14.406 1.00 43.32 H new ATOM 0 HH21 ARG A 59 0.376 32.292 -16.874 1.00 54.23 H new ATOM 0 HH22 ARG A 59 -1.324 31.950 -16.539 1.00 54.23 H new ATOM 996 N LYS A 60 5.075 28.509 -14.075 1.00 23.44 N ATOM 997 CA LYS A 60 5.604 28.392 -15.428 1.00 60.04 C ATOM 998 C LYS A 60 5.131 27.100 -16.088 1.00 1.42 C ATOM 999 O LYS A 60 4.978 27.034 -17.308 1.00 3.30 O ATOM 1000 CB LYS A 60 7.134 28.435 -15.406 1.00 54.31 C ATOM 1001 CG LYS A 60 7.697 29.672 -14.727 1.00 62.34 C ATOM 1002 CD LYS A 60 8.111 30.725 -15.742 1.00 24.35 C ATOM 1003 CE LYS A 60 7.466 32.069 -15.444 1.00 1.51 C ATOM 1004 NZ LYS A 60 8.208 33.193 -16.079 1.00 51.45 N ATOM 0 H LYS A 60 5.781 28.688 -13.361 1.00 23.44 H new ATOM 0 HA LYS A 60 5.231 29.235 -16.010 1.00 60.04 H new ATOM 0 HB2 LYS A 60 7.507 27.548 -14.894 1.00 54.31 H new ATOM 0 HB3 LYS A 60 7.505 28.392 -16.430 1.00 54.31 H new ATOM 0 HG2 LYS A 60 6.950 30.090 -14.052 1.00 62.34 H new ATOM 0 HG3 LYS A 60 8.557 29.394 -14.118 1.00 62.34 H new ATOM 0 HD2 LYS A 60 9.196 30.831 -15.736 1.00 24.35 H new ATOM 0 HD3 LYS A 60 7.828 30.398 -16.743 1.00 24.35 H new ATOM 0 HE2 LYS A 60 6.437 32.065 -15.802 1.00 1.51 H new ATOM 0 HE3 LYS A 60 7.428 32.222 -14.366 1.00 1.51 H new ATOM 0 HZ1 LYS A 60 7.737 34.092 -15.852 1.00 51.45 H new ATOM 0 HZ2 LYS A 60 9.183 33.213 -15.719 1.00 51.45 H new ATOM 0 HZ3 LYS A 60 8.223 33.060 -17.110 1.00 51.45 H new ATOM 1018 N HIS A 61 4.899 26.076 -15.273 1.00 64.33 N ATOM 1019 CA HIS A 61 4.441 24.786 -15.778 1.00 44.21 C ATOM 1020 C HIS A 61 3.028 24.483 -15.291 1.00 32.12 C ATOM 1021 O HIS A 61 2.624 23.324 -15.208 1.00 63.31 O ATOM 1022 CB HIS A 61 5.395 23.675 -15.338 1.00 34.31 C ATOM 1023 CG HIS A 61 6.598 23.533 -16.219 1.00 14.42 C ATOM 1024 ND1 HIS A 61 6.515 23.262 -17.568 1.00 55.43 N ATOM 1025 CD2 HIS A 61 7.918 23.629 -15.936 1.00 71.03 C ATOM 1026 CE1 HIS A 61 7.732 23.196 -18.077 1.00 73.44 C ATOM 1027 NE2 HIS A 61 8.602 23.415 -17.108 1.00 35.12 N ATOM 0 H HIS A 61 5.020 26.114 -14.261 1.00 64.33 H new ATOM 0 HA HIS A 61 4.428 24.833 -16.867 1.00 44.21 H new ATOM 0 HB2 HIS A 61 5.724 23.873 -14.318 1.00 34.31 H new ATOM 0 HB3 HIS A 61 4.854 22.729 -15.321 1.00 34.31 H new ATOM 0 HD2 HIS A 61 8.353 23.835 -14.969 1.00 71.03 H new ATOM 0 HE1 HIS A 61 7.974 22.997 -19.110 1.00 73.44 H new ATOM 0 HE2 HIS A 61 9.617 23.424 -17.213 1.00 35.12 H new ATOM 1035 N GLY A 62 2.280 25.534 -14.968 1.00 73.13 N ATOM 1036 CA GLY A 62 0.920 25.359 -14.492 1.00 61.43 C ATOM 1037 C GLY A 62 0.830 24.372 -13.345 1.00 1.32 C ATOM 1038 O GLY A 62 0.236 23.302 -13.481 1.00 70.14 O ATOM 0 H GLY A 62 2.592 26.503 -15.028 1.00 73.13 H new ATOM 0 HA2 GLY A 62 0.524 26.322 -14.170 1.00 61.43 H new ATOM 0 HA3 GLY A 62 0.292 25.015 -15.314 1.00 61.43 H new ATOM 1042 N LEU A 63 1.422 24.731 -12.211 1.00 21.20 N ATOM 1043 CA LEU A 63 1.408 23.868 -11.034 1.00 51.45 C ATOM 1044 C LEU A 63 0.605 24.504 -9.903 1.00 65.44 C ATOM 1045 O LEU A 63 0.190 23.824 -8.965 1.00 22.32 O ATOM 1046 CB LEU A 63 2.837 23.588 -10.566 1.00 72.32 C ATOM 1047 CG LEU A 63 2.985 23.076 -9.133 1.00 21.10 C ATOM 1048 CD1 LEU A 63 4.176 22.137 -9.022 1.00 44.10 C ATOM 1049 CD2 LEU A 63 3.129 24.240 -8.163 1.00 71.22 C ATOM 0 H LEU A 63 1.917 25.613 -12.081 1.00 21.20 H new ATOM 0 HA LEU A 63 0.932 22.927 -11.309 1.00 51.45 H new ATOM 0 HB2 LEU A 63 3.282 22.856 -11.240 1.00 72.32 H new ATOM 0 HB3 LEU A 63 3.417 24.506 -10.664 1.00 72.32 H new ATOM 0 HG LEU A 63 2.085 22.520 -8.871 1.00 21.10 H new ATOM 0 HD11 LEU A 63 4.266 21.783 -7.995 1.00 44.10 H new ATOM 0 HD12 LEU A 63 4.032 21.286 -9.688 1.00 44.10 H new ATOM 0 HD13 LEU A 63 5.085 22.668 -9.303 1.00 44.10 H new ATOM 0 HD21 LEU A 63 3.233 23.857 -7.148 1.00 71.22 H new ATOM 0 HD22 LEU A 63 4.012 24.823 -8.423 1.00 71.22 H new ATOM 0 HD23 LEU A 63 2.245 24.875 -8.222 1.00 71.22 H new ATOM 1061 N VAL A 64 0.389 25.812 -10.000 1.00 71.53 N ATOM 1062 CA VAL A 64 -0.367 26.538 -8.987 1.00 41.43 C ATOM 1063 C VAL A 64 -1.727 26.971 -9.522 1.00 54.30 C ATOM 1064 O VAL A 64 -1.814 27.722 -10.495 1.00 32.52 O ATOM 1065 CB VAL A 64 0.400 27.782 -8.500 1.00 21.14 C ATOM 1066 CG1 VAL A 64 1.533 27.379 -7.567 1.00 53.35 C ATOM 1067 CG2 VAL A 64 0.930 28.579 -9.682 1.00 73.43 C ATOM 0 H VAL A 64 0.727 26.390 -10.769 1.00 71.53 H new ATOM 0 HA VAL A 64 -0.510 25.856 -8.149 1.00 41.43 H new ATOM 0 HB VAL A 64 -0.289 28.417 -7.944 1.00 21.14 H new ATOM 0 HG11 VAL A 64 2.064 28.270 -7.233 1.00 53.35 H new ATOM 0 HG12 VAL A 64 1.124 26.855 -6.703 1.00 53.35 H new ATOM 0 HG13 VAL A 64 2.224 26.722 -8.096 1.00 53.35 H new ATOM 0 HG21 VAL A 64 1.469 29.454 -9.319 1.00 73.43 H new ATOM 0 HG22 VAL A 64 1.605 27.955 -10.268 1.00 73.43 H new ATOM 0 HG23 VAL A 64 0.097 28.900 -10.307 1.00 73.43 H new ATOM 1077 N HIS A 65 -2.789 26.494 -8.880 1.00 2.04 N ATOM 1078 CA HIS A 65 -4.147 26.833 -9.290 1.00 21.30 C ATOM 1079 C HIS A 65 -4.615 28.117 -8.613 1.00 4.33 C ATOM 1080 O HIS A 65 -5.782 28.496 -8.715 1.00 22.52 O ATOM 1081 CB HIS A 65 -5.104 25.688 -8.955 1.00 42.21 C ATOM 1082 CG HIS A 65 -6.071 25.375 -10.055 1.00 63.40 C ATOM 1083 ND1 HIS A 65 -7.370 24.975 -9.824 1.00 20.23 N ATOM 1084 CD2 HIS A 65 -5.922 25.406 -11.400 1.00 70.40 C ATOM 1085 CE1 HIS A 65 -7.978 24.772 -10.979 1.00 31.33 C ATOM 1086 NE2 HIS A 65 -7.121 25.027 -11.951 1.00 73.41 N ATOM 0 H HIS A 65 -2.735 25.872 -8.074 1.00 2.04 H new ATOM 0 HA HIS A 65 -4.145 26.992 -10.368 1.00 21.30 H new ATOM 0 HB2 HIS A 65 -4.523 24.794 -8.728 1.00 42.21 H new ATOM 0 HB3 HIS A 65 -5.662 25.943 -8.054 1.00 42.21 H new ATOM 0 HD2 HIS A 65 -5.027 25.678 -11.939 1.00 70.40 H new ATOM 0 HE1 HIS A 65 -9.002 24.452 -11.107 1.00 31.33 H new ATOM 0 HE2 HIS A 65 -7.318 24.954 -12.949 1.00 73.41 H new ATOM 1094 N PHE A 66 -3.697 28.784 -7.920 1.00 64.44 N ATOM 1095 CA PHE A 66 -4.016 30.025 -7.225 1.00 25.13 C ATOM 1096 C PHE A 66 -4.469 31.099 -8.209 1.00 44.20 C ATOM 1097 O PHE A 66 -4.212 31.004 -9.409 1.00 32.53 O ATOM 1098 CB PHE A 66 -2.801 30.519 -6.436 1.00 42.14 C ATOM 1099 CG PHE A 66 -1.817 31.288 -7.271 1.00 63.42 C ATOM 1100 CD1 PHE A 66 -1.304 30.744 -8.438 1.00 23.44 C ATOM 1101 CD2 PHE A 66 -1.404 32.554 -6.889 1.00 51.00 C ATOM 1102 CE1 PHE A 66 -0.398 31.448 -9.208 1.00 52.33 C ATOM 1103 CE2 PHE A 66 -0.499 33.264 -7.656 1.00 33.51 C ATOM 1104 CZ PHE A 66 0.005 32.710 -8.816 1.00 62.52 C ATOM 0 H PHE A 66 -2.726 28.485 -7.825 1.00 64.44 H new ATOM 0 HA PHE A 66 -4.833 29.825 -6.532 1.00 25.13 H new ATOM 0 HB2 PHE A 66 -3.142 31.151 -5.616 1.00 42.14 H new ATOM 0 HB3 PHE A 66 -2.295 29.663 -5.989 1.00 42.14 H new ATOM 0 HD1 PHE A 66 -1.616 29.758 -8.749 1.00 23.44 H new ATOM 0 HD2 PHE A 66 -1.793 32.991 -5.982 1.00 51.00 H new ATOM 0 HE1 PHE A 66 -0.005 31.012 -10.115 1.00 52.33 H new ATOM 0 HE2 PHE A 66 -0.187 34.251 -7.348 1.00 33.51 H new ATOM 0 HZ PHE A 66 0.713 33.262 -9.416 1.00 62.52 H new ATOM 1168 N LEU A 71 -0.752 37.337 -4.516 1.00 33.21 N ATOM 1169 CA LEU A 71 -1.617 37.217 -3.347 1.00 52.23 C ATOM 1170 C LEU A 71 -1.151 38.142 -2.228 1.00 10.52 C ATOM 1171 O LEU A 71 -0.014 38.049 -1.766 1.00 2.53 O ATOM 1172 CB LEU A 71 -1.641 35.770 -2.852 1.00 0.22 C ATOM 1173 CG LEU A 71 -1.849 34.698 -3.922 1.00 23.33 C ATOM 1174 CD1 LEU A 71 -2.043 33.333 -3.279 1.00 43.11 C ATOM 1175 CD2 LEU A 71 -3.038 35.048 -4.804 1.00 31.20 C ATOM 0 HA LEU A 71 -2.625 37.511 -3.640 1.00 52.23 H new ATOM 0 HB2 LEU A 71 -0.700 35.566 -2.340 1.00 0.22 H new ATOM 0 HB3 LEU A 71 -2.434 35.674 -2.111 1.00 0.22 H new ATOM 0 HG LEU A 71 -0.957 34.659 -4.548 1.00 23.33 H new ATOM 0 HD11 LEU A 71 -2.190 32.582 -4.056 1.00 43.11 H new ATOM 0 HD12 LEU A 71 -1.161 33.079 -2.691 1.00 43.11 H new ATOM 0 HD13 LEU A 71 -2.918 33.358 -2.629 1.00 43.11 H new ATOM 0 HD21 LEU A 71 -3.171 34.274 -5.560 1.00 31.20 H new ATOM 0 HD22 LEU A 71 -3.937 35.116 -4.192 1.00 31.20 H new ATOM 0 HD23 LEU A 71 -2.859 36.005 -5.293 1.00 31.20 H new ATOM 1187 N TRP A 72 -2.037 39.032 -1.796 1.00 0.43 N ATOM 1188 CA TRP A 72 -1.717 39.973 -0.728 1.00 44.32 C ATOM 1189 C TRP A 72 -2.105 39.406 0.632 1.00 33.25 C ATOM 1190 O TRP A 72 -3.260 39.042 0.855 1.00 4.05 O ATOM 1191 CB TRP A 72 -2.432 41.305 -0.962 1.00 62.15 C ATOM 1192 CG TRP A 72 -2.281 41.822 -2.361 1.00 72.01 C ATOM 1193 CD1 TRP A 72 -3.279 42.256 -3.186 1.00 71.14 C ATOM 1194 CD2 TRP A 72 -1.061 41.957 -3.098 1.00 51.11 C ATOM 1195 NE1 TRP A 72 -2.753 42.653 -4.392 1.00 62.41 N ATOM 1196 CE2 TRP A 72 -1.394 42.480 -4.363 1.00 12.11 C ATOM 1197 CE3 TRP A 72 0.280 41.689 -2.812 1.00 42.31 C ATOM 1198 CZ2 TRP A 72 -0.434 42.738 -5.338 1.00 32.02 C ATOM 1199 CZ3 TRP A 72 1.232 41.946 -3.781 1.00 32.52 C ATOM 1200 CH2 TRP A 72 0.871 42.466 -5.031 1.00 4.22 C ATOM 0 H TRP A 72 -2.982 39.122 -2.168 1.00 0.43 H new ATOM 0 HA TRP A 72 -0.640 40.140 -0.737 1.00 44.32 H new ATOM 0 HB2 TRP A 72 -3.492 41.184 -0.739 1.00 62.15 H new ATOM 0 HB3 TRP A 72 -2.042 42.046 -0.264 1.00 62.15 H new ATOM 0 HD1 TRP A 72 -4.328 42.283 -2.929 1.00 71.14 H new ATOM 0 HE1 TRP A 72 -3.287 43.017 -5.181 1.00 62.41 H new ATOM 0 HE3 TRP A 72 0.568 41.288 -1.851 1.00 42.31 H new ATOM 0 HZ2 TRP A 72 -0.710 43.139 -6.302 1.00 32.02 H new ATOM 0 HZ3 TRP A 72 2.272 41.742 -3.571 1.00 32.52 H new ATOM 0 HH2 TRP A 72 1.638 42.656 -5.767 1.00 4.22 H new ATOM 1211 N GLN A 73 -1.135 39.333 1.538 1.00 50.51 N ATOM 1212 CA GLN A 73 -1.378 38.809 2.877 1.00 43.33 C ATOM 1213 C GLN A 73 -2.488 39.589 3.574 1.00 60.14 C ATOM 1214 O GLN A 73 -2.413 40.809 3.709 1.00 45.31 O ATOM 1215 CB GLN A 73 -0.096 38.868 3.710 1.00 15.13 C ATOM 1216 CG GLN A 73 0.118 37.642 4.583 1.00 1.34 C ATOM 1217 CD GLN A 73 -0.532 37.776 5.946 1.00 31.44 C ATOM 1218 OE1 GLN A 73 0.003 38.431 6.841 1.00 62.10 O ATOM 1219 NE2 GLN A 73 -1.693 37.153 6.112 1.00 14.20 N ATOM 0 H GLN A 73 -0.174 39.630 1.369 1.00 50.51 H new ATOM 0 HA GLN A 73 -1.694 37.770 2.782 1.00 43.33 H new ATOM 0 HB2 GLN A 73 0.757 38.981 3.041 1.00 15.13 H new ATOM 0 HB3 GLN A 73 -0.124 39.755 4.343 1.00 15.13 H new ATOM 0 HG2 GLN A 73 -0.286 36.765 4.077 1.00 1.34 H new ATOM 0 HG3 GLN A 73 1.187 37.473 4.710 1.00 1.34 H new ATOM 0 HE21 GLN A 73 -2.101 36.621 5.343 1.00 14.20 H new ATOM 0 HE22 GLN A 73 -2.177 37.207 7.008 1.00 14.20 H new ATOM 1228 N GLY A 74 -3.519 38.875 4.014 1.00 35.30 N ATOM 1229 CA GLY A 74 -4.631 39.517 4.691 1.00 30.41 C ATOM 1230 C GLY A 74 -5.842 39.676 3.794 1.00 35.30 C ATOM 1231 O GLY A 74 -6.954 39.900 4.273 1.00 53.31 O ATOM 0 H GLY A 74 -3.604 37.864 3.914 1.00 35.30 H new ATOM 0 HA2 GLY A 74 -4.906 38.930 5.567 1.00 30.41 H new ATOM 0 HA3 GLY A 74 -4.317 40.497 5.049 1.00 30.41 H new ATOM 1235 N LYS A 75 -5.628 39.561 2.488 1.00 55.03 N ATOM 1236 CA LYS A 75 -6.711 39.694 1.520 1.00 70.10 C ATOM 1237 C LYS A 75 -6.832 38.438 0.664 1.00 74.55 C ATOM 1238 O LYS A 75 -7.923 37.890 0.499 1.00 43.11 O ATOM 1239 CB LYS A 75 -6.476 40.913 0.625 1.00 12.13 C ATOM 1240 CG LYS A 75 -6.204 42.192 1.399 1.00 61.42 C ATOM 1241 CD LYS A 75 -7.460 42.710 2.078 1.00 0.44 C ATOM 1242 CE LYS A 75 -7.124 43.620 3.250 1.00 14.23 C ATOM 1243 NZ LYS A 75 -8.207 43.631 4.272 1.00 35.32 N ATOM 0 H LYS A 75 -4.714 39.376 2.075 1.00 55.03 H new ATOM 0 HA LYS A 75 -7.642 39.829 2.070 1.00 70.10 H new ATOM 0 HB2 LYS A 75 -5.633 40.711 -0.035 1.00 12.13 H new ATOM 0 HB3 LYS A 75 -7.350 41.061 -0.010 1.00 12.13 H new ATOM 0 HG2 LYS A 75 -5.434 42.008 2.148 1.00 61.42 H new ATOM 0 HG3 LYS A 75 -5.815 42.953 0.722 1.00 61.42 H new ATOM 0 HD2 LYS A 75 -8.068 43.255 1.355 1.00 0.44 H new ATOM 0 HD3 LYS A 75 -8.059 41.869 2.428 1.00 0.44 H new ATOM 0 HE2 LYS A 75 -6.193 43.290 3.711 1.00 14.23 H new ATOM 0 HE3 LYS A 75 -6.957 44.634 2.886 1.00 14.23 H new ATOM 0 HZ1 LYS A 75 -7.940 44.263 5.054 1.00 35.32 H new ATOM 0 HZ2 LYS A 75 -9.090 43.970 3.839 1.00 35.32 H new ATOM 0 HZ3 LYS A 75 -8.349 42.668 4.638 1.00 35.32 H new ATOM 1257 N ASP A 76 -5.707 37.985 0.122 1.00 42.30 N ATOM 1258 CA ASP A 76 -5.687 36.792 -0.715 1.00 61.45 C ATOM 1259 C ASP A 76 -5.339 35.556 0.108 1.00 25.31 C ATOM 1260 O ASP A 76 -5.014 34.503 -0.441 1.00 60.21 O ATOM 1261 CB ASP A 76 -4.682 36.960 -1.856 1.00 61.41 C ATOM 1262 CG ASP A 76 -5.155 37.949 -2.903 1.00 64.33 C ATOM 1263 OD1 ASP A 76 -5.593 39.053 -2.520 1.00 54.13 O ATOM 1264 OD2 ASP A 76 -5.087 37.618 -4.106 1.00 4.11 O ATOM 0 H ASP A 76 -4.796 38.427 0.248 1.00 42.30 H new ATOM 0 HA ASP A 76 -6.683 36.657 -1.136 1.00 61.45 H new ATOM 0 HB2 ASP A 76 -3.728 37.294 -1.449 1.00 61.41 H new ATOM 0 HB3 ASP A 76 -4.506 35.993 -2.327 1.00 61.41 H new ATOM 1269 N ASP A 77 -5.407 35.692 1.428 1.00 51.12 N ATOM 1270 CA ASP A 77 -5.099 34.587 2.328 1.00 61.34 C ATOM 1271 C ASP A 77 -6.055 33.420 2.102 1.00 34.25 C ATOM 1272 O ASP A 77 -5.718 32.266 2.370 1.00 1.11 O ATOM 1273 CB ASP A 77 -5.174 35.050 3.783 1.00 3.03 C ATOM 1274 CG ASP A 77 -6.600 35.258 4.252 1.00 33.22 C ATOM 1275 OD1 ASP A 77 -7.219 34.280 4.721 1.00 62.43 O ATOM 1276 OD2 ASP A 77 -7.099 36.399 4.150 1.00 63.41 O ATOM 0 H ASP A 77 -5.673 36.557 1.898 1.00 51.12 H new ATOM 0 HA ASP A 77 -4.085 34.249 2.115 1.00 61.34 H new ATOM 0 HB2 ASP A 77 -4.689 34.312 4.421 1.00 3.03 H new ATOM 0 HB3 ASP A 77 -4.619 35.981 3.894 1.00 3.03 H new ATOM 1281 N HIS A 78 -7.251 33.728 1.610 1.00 70.21 N ATOM 1282 CA HIS A 78 -8.257 32.705 1.349 1.00 32.52 C ATOM 1283 C HIS A 78 -7.870 31.857 0.141 1.00 22.02 C ATOM 1284 O HIS A 78 -8.382 30.753 -0.046 1.00 0.23 O ATOM 1285 CB HIS A 78 -9.623 33.350 1.117 1.00 55.33 C ATOM 1286 CG HIS A 78 -9.725 34.086 -0.184 1.00 61.31 C ATOM 1287 ND1 HIS A 78 -8.828 34.864 -0.833 1.00 34.11 N flip ATOM 1288 CD2 HIS A 78 -10.856 34.069 -0.972 1.00 42.22 C flip ATOM 1289 CE1 HIS A 78 -9.427 35.298 -1.990 1.00 74.22 C flip ATOM 1290 NE2 HIS A 78 -10.650 34.804 -2.050 1.00 50.11 N flip ATOM 0 H HIS A 78 -7.547 34.678 1.384 1.00 70.21 H new ATOM 0 HA HIS A 78 -8.314 32.056 2.223 1.00 32.52 H new ATOM 0 HB2 HIS A 78 -10.391 32.577 1.149 1.00 55.33 H new ATOM 0 HB3 HIS A 78 -9.833 34.041 1.933 1.00 55.33 H new ATOM 0 HD2 HIS A 78 -11.768 33.538 -0.744 1.00 42.22 H new ATOM 0 HE1 HIS A 78 -8.972 35.939 -2.730 1.00 74.22 H new ATOM 0 HE2 HIS A 78 -11.322 34.963 -2.801 1.00 50.11 H new ATOM 1298 N VAL A 79 -6.963 32.381 -0.677 1.00 44.00 N ATOM 1299 CA VAL A 79 -6.506 31.673 -1.867 1.00 33.41 C ATOM 1300 C VAL A 79 -5.966 30.292 -1.511 1.00 75.13 C ATOM 1301 O VAL A 79 -4.954 30.168 -0.821 1.00 75.23 O ATOM 1302 CB VAL A 79 -5.412 32.465 -2.607 1.00 21.25 C ATOM 1303 CG1 VAL A 79 -4.881 31.667 -3.787 1.00 64.34 C ATOM 1304 CG2 VAL A 79 -5.947 33.814 -3.062 1.00 0.02 C ATOM 0 H VAL A 79 -6.530 33.294 -0.537 1.00 44.00 H new ATOM 0 HA VAL A 79 -7.370 31.565 -2.522 1.00 33.41 H new ATOM 0 HB VAL A 79 -4.586 32.641 -1.918 1.00 21.25 H new ATOM 0 HG11 VAL A 79 -4.109 32.243 -4.298 1.00 64.34 H new ATOM 0 HG12 VAL A 79 -4.457 30.728 -3.430 1.00 64.34 H new ATOM 0 HG13 VAL A 79 -5.695 31.457 -4.480 1.00 64.34 H new ATOM 0 HG21 VAL A 79 -5.161 34.360 -3.583 1.00 0.02 H new ATOM 0 HG22 VAL A 79 -6.791 33.663 -3.735 1.00 0.02 H new ATOM 0 HG23 VAL A 79 -6.273 34.387 -2.194 1.00 0.02 H new ATOM 1314 N VAL A 80 -6.649 29.255 -1.988 1.00 4.15 N ATOM 1315 CA VAL A 80 -6.237 27.882 -1.722 1.00 20.05 C ATOM 1316 C VAL A 80 -5.305 27.366 -2.812 1.00 50.54 C ATOM 1317 O VAL A 80 -5.717 27.180 -3.958 1.00 32.24 O ATOM 1318 CB VAL A 80 -7.453 26.942 -1.614 1.00 43.40 C ATOM 1319 CG1 VAL A 80 -7.000 25.497 -1.471 1.00 50.34 C ATOM 1320 CG2 VAL A 80 -8.339 27.350 -0.447 1.00 22.14 C ATOM 0 H VAL A 80 -7.489 29.340 -2.560 1.00 4.15 H new ATOM 0 HA VAL A 80 -5.707 27.890 -0.769 1.00 20.05 H new ATOM 0 HB VAL A 80 -8.037 27.025 -2.530 1.00 43.40 H new ATOM 0 HG11 VAL A 80 -7.872 24.848 -1.396 1.00 50.34 H new ATOM 0 HG12 VAL A 80 -6.410 25.213 -2.342 1.00 50.34 H new ATOM 0 HG13 VAL A 80 -6.392 25.393 -0.572 1.00 50.34 H new ATOM 0 HG21 VAL A 80 -9.193 26.676 -0.385 1.00 22.14 H new ATOM 0 HG22 VAL A 80 -7.767 27.297 0.480 1.00 22.14 H new ATOM 0 HG23 VAL A 80 -8.692 28.370 -0.598 1.00 22.14 H new ATOM 1330 N ILE A 81 -4.048 27.138 -2.449 1.00 65.02 N ATOM 1331 CA ILE A 81 -3.057 26.642 -3.397 1.00 13.20 C ATOM 1332 C ILE A 81 -2.987 25.119 -3.372 1.00 51.14 C ATOM 1333 O ILE A 81 -2.505 24.524 -2.408 1.00 73.40 O ATOM 1334 CB ILE A 81 -1.658 27.214 -3.100 1.00 54.34 C ATOM 1335 CG1 ILE A 81 -1.681 28.742 -3.178 1.00 53.23 C ATOM 1336 CG2 ILE A 81 -0.636 26.644 -4.072 1.00 51.23 C ATOM 1337 CD1 ILE A 81 -1.727 29.416 -1.825 1.00 21.44 C ATOM 0 H ILE A 81 -3.691 27.289 -1.505 1.00 65.02 H new ATOM 0 HA ILE A 81 -3.373 26.973 -4.386 1.00 13.20 H new ATOM 0 HB ILE A 81 -1.370 26.925 -2.089 1.00 54.34 H new ATOM 0 HG12 ILE A 81 -0.796 29.084 -3.715 1.00 53.23 H new ATOM 0 HG13 ILE A 81 -2.548 29.055 -3.760 1.00 53.23 H new ATOM 0 HG21 ILE A 81 0.348 27.057 -3.850 1.00 51.23 H new ATOM 0 HG22 ILE A 81 -0.605 25.559 -3.972 1.00 51.23 H new ATOM 0 HG23 ILE A 81 -0.918 26.907 -5.092 1.00 51.23 H new ATOM 0 HD11 ILE A 81 -1.741 30.498 -1.958 1.00 21.44 H new ATOM 0 HD12 ILE A 81 -2.626 29.104 -1.293 1.00 21.44 H new ATOM 0 HD13 ILE A 81 -0.847 29.133 -1.247 1.00 21.44 H new ATOM 1349 N THR A 82 -3.470 24.492 -4.441 1.00 44.51 N ATOM 1350 CA THR A 82 -3.461 23.039 -4.543 1.00 73.32 C ATOM 1351 C THR A 82 -2.358 22.560 -5.480 1.00 75.42 C ATOM 1352 O THR A 82 -2.406 22.803 -6.687 1.00 21.51 O ATOM 1353 CB THR A 82 -4.815 22.503 -5.046 1.00 12.11 C ATOM 1354 OG1 THR A 82 -4.699 21.116 -5.382 1.00 31.03 O ATOM 1355 CG2 THR A 82 -5.289 23.286 -6.261 1.00 14.22 C ATOM 0 H THR A 82 -3.872 24.969 -5.248 1.00 44.51 H new ATOM 0 HA THR A 82 -3.275 22.653 -3.541 1.00 73.32 H new ATOM 0 HB THR A 82 -5.547 22.623 -4.248 1.00 12.11 H new ATOM 0 HG1 THR A 82 -5.564 20.783 -5.699 1.00 31.03 H new ATOM 0 HG21 THR A 82 -6.247 22.890 -6.598 1.00 14.22 H new ATOM 0 HG22 THR A 82 -5.405 24.337 -5.994 1.00 14.22 H new ATOM 0 HG23 THR A 82 -4.556 23.194 -7.062 1.00 14.22 H new ATOM 1363 N LEU A 83 -1.367 21.878 -4.919 1.00 25.53 N ATOM 1364 CA LEU A 83 -0.251 21.363 -5.705 1.00 63.21 C ATOM 1365 C LEU A 83 -0.750 20.650 -6.958 1.00 13.42 C ATOM 1366 O LEU A 83 -1.261 19.531 -6.887 1.00 44.50 O ATOM 1367 CB LEU A 83 0.594 20.405 -4.863 1.00 12.34 C ATOM 1368 CG LEU A 83 2.102 20.444 -5.112 1.00 71.31 C ATOM 1369 CD1 LEU A 83 2.633 21.860 -4.957 1.00 11.35 C ATOM 1370 CD2 LEU A 83 2.823 19.495 -4.166 1.00 64.11 C ATOM 0 H LEU A 83 -1.313 21.668 -3.922 1.00 25.53 H new ATOM 0 HA LEU A 83 0.365 22.209 -6.011 1.00 63.21 H new ATOM 0 HB2 LEU A 83 0.414 20.623 -3.810 1.00 12.34 H new ATOM 0 HB3 LEU A 83 0.243 19.389 -5.042 1.00 12.34 H new ATOM 0 HG LEU A 83 2.290 20.118 -6.135 1.00 71.31 H new ATOM 0 HD11 LEU A 83 3.708 21.867 -5.138 1.00 11.35 H new ATOM 0 HD12 LEU A 83 2.140 22.514 -5.676 1.00 11.35 H new ATOM 0 HD13 LEU A 83 2.433 22.215 -3.946 1.00 11.35 H new ATOM 0 HD21 LEU A 83 3.895 19.536 -4.357 1.00 64.11 H new ATOM 0 HD22 LEU A 83 2.627 19.790 -3.135 1.00 64.11 H new ATOM 0 HD23 LEU A 83 2.464 18.478 -4.327 1.00 64.11 H new ATOM 1382 N LEU A 84 -0.598 21.304 -8.104 1.00 55.22 N ATOM 1383 CA LEU A 84 -1.032 20.733 -9.374 1.00 71.43 C ATOM 1384 C LEU A 84 0.132 20.059 -10.094 1.00 30.00 C ATOM 1385 O LEU A 84 0.893 20.711 -10.808 1.00 72.12 O ATOM 1386 CB LEU A 84 -1.637 21.819 -10.265 1.00 52.00 C ATOM 1387 CG LEU A 84 -2.785 22.625 -9.655 1.00 64.12 C ATOM 1388 CD1 LEU A 84 -3.466 23.473 -10.718 1.00 65.23 C ATOM 1389 CD2 LEU A 84 -3.789 21.699 -8.985 1.00 12.13 C ATOM 0 H LEU A 84 -0.177 22.230 -8.180 1.00 55.22 H new ATOM 0 HA LEU A 84 -1.791 19.980 -9.164 1.00 71.43 H new ATOM 0 HB2 LEU A 84 -0.844 22.511 -10.549 1.00 52.00 H new ATOM 0 HB3 LEU A 84 -1.995 21.351 -11.182 1.00 52.00 H new ATOM 0 HG LEU A 84 -2.373 23.291 -8.897 1.00 64.12 H new ATOM 0 HD11 LEU A 84 -4.280 24.039 -10.265 1.00 65.23 H new ATOM 0 HD12 LEU A 84 -2.742 24.162 -11.152 1.00 65.23 H new ATOM 0 HD13 LEU A 84 -3.865 22.826 -11.499 1.00 65.23 H new ATOM 0 HD21 LEU A 84 -4.599 22.289 -8.556 1.00 12.13 H new ATOM 0 HD22 LEU A 84 -4.195 21.008 -9.723 1.00 12.13 H new ATOM 0 HD23 LEU A 84 -3.293 21.136 -8.195 1.00 12.13 H new ATOM 1401 N GLU A 85 0.262 18.750 -9.902 1.00 3.04 N ATOM 1402 CA GLU A 85 1.333 17.989 -10.534 1.00 21.40 C ATOM 1403 C GLU A 85 0.797 16.692 -11.135 1.00 43.31 C ATOM 1404 O GLU A 85 -0.228 16.690 -11.816 1.00 21.24 O ATOM 1405 CB GLU A 85 2.435 17.676 -9.519 1.00 73.11 C ATOM 1406 CG GLU A 85 3.506 18.750 -9.433 1.00 60.14 C ATOM 1407 CD GLU A 85 4.883 18.179 -9.156 1.00 43.31 C ATOM 1408 OE1 GLU A 85 5.492 17.618 -10.092 1.00 13.44 O ATOM 1409 OE2 GLU A 85 5.353 18.293 -8.005 1.00 15.24 O ATOM 0 H GLU A 85 -0.360 18.195 -9.314 1.00 3.04 H new ATOM 0 HA GLU A 85 1.751 18.597 -11.337 1.00 21.40 H new ATOM 0 HB2 GLU A 85 1.984 17.544 -8.535 1.00 73.11 H new ATOM 0 HB3 GLU A 85 2.903 16.728 -9.784 1.00 73.11 H new ATOM 0 HG2 GLU A 85 3.530 19.310 -10.368 1.00 60.14 H new ATOM 0 HG3 GLU A 85 3.244 19.457 -8.645 1.00 60.14 H new