USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 543 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 38 SER OG : rot 180:sc= 0.159 USER MOD Set 1.2: A 82 TYR OH : rot 92:sc= 0.161 USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0.167 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -138:sc= -1.07 (180deg=-4.39!) USER MOD Set 3.1: A 16 CYS SG : rot 31:sc= -0.701 USER MOD Set 3.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 21 SER OG : rot -18:sc= 1.24 USER MOD Single : A 26 GLN : amide:sc= 1.09 K(o=1.1,f=-0.46) USER MOD Single : A 27 THR OG1 : rot 80:sc= -3.42! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= -0.0846 (180deg=-0.682) USER MOD Single : A 45 MET CE :methyl 166:sc= -6.34! (180deg=-6.66!) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.472) USER MOD Single : A 50 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.51) USER MOD Single : A 52 GLN : amide:sc= -3.34! C(o=-3.3!,f=-5!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -8.22! C(o=-8.2!,f=-4.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.8 K(o=-0.8,f=-0.044) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -6.64! C(o=-6.6!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.895 -28.655 -4.642 1.00 13.24 N ATOM 215 CA PHE A 15 -0.586 -28.811 -4.708 1.00 11.40 C ATOM 216 C PHE A 15 -1.261 -27.461 -4.460 1.00 12.14 C ATOM 217 O PHE A 15 -0.785 -26.653 -3.687 1.00 41.31 O ATOM 218 CB PHE A 15 -0.938 -29.798 -3.595 1.00 12.24 C ATOM 219 CG PHE A 15 -2.425 -29.758 -3.338 1.00 12.32 C ATOM 220 CD1 PHE A 15 -2.980 -28.710 -2.596 1.00 32.30 C ATOM 221 CD2 PHE A 15 -3.249 -30.768 -3.847 1.00 43.50 C ATOM 222 CE1 PHE A 15 -4.359 -28.673 -2.359 1.00 72.13 C ATOM 223 CE2 PHE A 15 -4.628 -30.733 -3.610 1.00 74.31 C ATOM 224 CZ PHE A 15 -5.185 -29.684 -2.866 1.00 54.12 C ATOM 0 HA PHE A 15 -0.922 -29.167 -5.682 1.00 11.40 H new ATOM 0 HB2 PHE A 15 -0.634 -30.806 -3.879 1.00 12.24 H new ATOM 0 HB3 PHE A 15 -0.394 -29.545 -2.685 1.00 12.24 H new ATOM 0 HD1 PHE A 15 -2.344 -27.929 -2.206 1.00 32.30 H new ATOM 0 HD2 PHE A 15 -2.821 -31.575 -4.423 1.00 43.50 H new ATOM 0 HE1 PHE A 15 -4.786 -27.864 -1.785 1.00 72.13 H new ATOM 0 HE2 PHE A 15 -5.263 -31.514 -4.001 1.00 74.31 H new ATOM 0 HZ PHE A 15 -6.249 -29.655 -2.684 1.00 54.12 H new ATOM 234 N CYS A 16 -2.362 -27.206 -5.109 1.00 31.22 N ATOM 235 CA CYS A 16 -3.053 -25.900 -4.902 1.00 51.01 C ATOM 236 C CYS A 16 -4.564 -26.048 -5.097 1.00 54.12 C ATOM 237 O CYS A 16 -5.029 -26.918 -5.806 1.00 43.42 O ATOM 238 CB CYS A 16 -2.464 -24.974 -5.967 1.00 11.12 C ATOM 239 SG CYS A 16 -1.062 -24.066 -5.271 1.00 22.24 S ATOM 0 H CYS A 16 -2.812 -27.839 -5.770 1.00 31.22 H new ATOM 0 HA CYS A 16 -2.907 -25.516 -3.892 1.00 51.01 H new ATOM 0 HB2 CYS A 16 -2.141 -25.555 -6.831 1.00 11.12 H new ATOM 0 HB3 CYS A 16 -3.224 -24.276 -6.318 1.00 11.12 H new ATOM 0 HG CYS A 16 -0.477 -24.796 -4.368 1.00 22.24 H new ATOM 245 N VAL A 17 -5.331 -25.195 -4.475 1.00 63.21 N ATOM 246 CA VAL A 17 -6.814 -25.275 -4.623 1.00 42.50 C ATOM 247 C VAL A 17 -7.329 -24.015 -5.325 1.00 34.11 C ATOM 248 O VAL A 17 -7.084 -22.908 -4.888 1.00 40.41 O ATOM 249 CB VAL A 17 -7.380 -25.357 -3.201 1.00 64.54 C ATOM 250 CG1 VAL A 17 -8.720 -26.094 -3.229 1.00 70.44 C ATOM 251 CG2 VAL A 17 -6.411 -26.114 -2.283 1.00 40.33 C ATOM 0 H VAL A 17 -4.996 -24.445 -3.870 1.00 63.21 H new ATOM 0 HA VAL A 17 -7.116 -26.137 -5.218 1.00 42.50 H new ATOM 0 HB VAL A 17 -7.517 -24.345 -2.819 1.00 64.54 H new ATOM 0 HG11 VAL A 17 -9.124 -26.153 -2.218 1.00 70.44 H new ATOM 0 HG12 VAL A 17 -9.419 -25.554 -3.868 1.00 70.44 H new ATOM 0 HG13 VAL A 17 -8.574 -27.101 -3.621 1.00 70.44 H new ATOM 0 HG21 VAL A 17 -6.827 -26.164 -1.277 1.00 40.33 H new ATOM 0 HG22 VAL A 17 -6.262 -27.124 -2.665 1.00 40.33 H new ATOM 0 HG23 VAL A 17 -5.454 -25.592 -2.255 1.00 40.33 H new ATOM 261 N ILE A 18 -8.032 -24.172 -6.409 1.00 72.02 N ATOM 262 CA ILE A 18 -8.555 -22.980 -7.134 1.00 31.21 C ATOM 263 C ILE A 18 -10.020 -22.731 -6.764 1.00 23.25 C ATOM 264 O ILE A 18 -10.895 -23.503 -7.100 1.00 13.43 O ATOM 265 CB ILE A 18 -8.419 -23.330 -8.617 1.00 2.45 C ATOM 266 CG1 ILE A 18 -6.941 -23.299 -9.011 1.00 52.23 C ATOM 267 CG2 ILE A 18 -9.190 -22.313 -9.457 1.00 35.14 C ATOM 268 CD1 ILE A 18 -6.382 -24.724 -9.011 1.00 64.24 C ATOM 0 H ILE A 18 -8.268 -25.073 -6.826 1.00 72.02 H new ATOM 0 HA ILE A 18 -8.012 -22.070 -6.880 1.00 31.21 H new ATOM 0 HB ILE A 18 -8.825 -24.326 -8.794 1.00 2.45 H new ATOM 0 HG12 ILE A 18 -6.826 -22.852 -9.999 1.00 52.23 H new ATOM 0 HG13 ILE A 18 -6.381 -22.677 -8.313 1.00 52.23 H new ATOM 0 HG21 ILE A 18 -9.092 -22.564 -10.513 1.00 35.14 H new ATOM 0 HG22 ILE A 18 -10.243 -22.332 -9.176 1.00 35.14 H new ATOM 0 HG23 ILE A 18 -8.786 -21.316 -9.282 1.00 35.14 H new ATOM 0 HD11 ILE A 18 -5.329 -24.702 -9.292 1.00 64.24 H new ATOM 0 HD12 ILE A 18 -6.483 -25.154 -8.015 1.00 64.24 H new ATOM 0 HD13 ILE A 18 -6.936 -25.332 -9.727 1.00 64.24 H new ATOM 280 N TYR A 19 -10.289 -21.656 -6.074 1.00 63.13 N ATOM 281 CA TYR A 19 -11.694 -21.351 -5.676 1.00 44.35 C ATOM 282 C TYR A 19 -12.374 -20.498 -6.749 1.00 44.21 C ATOM 283 O TYR A 19 -11.724 -19.902 -7.585 1.00 11.01 O ATOM 284 CB TYR A 19 -11.574 -20.562 -4.374 1.00 63.24 C ATOM 285 CG TYR A 19 -11.372 -21.513 -3.219 1.00 51.02 C ATOM 286 CD1 TYR A 19 -10.081 -21.948 -2.887 1.00 22.20 C ATOM 287 CD2 TYR A 19 -12.472 -21.960 -2.478 1.00 62.33 C ATOM 288 CE1 TYR A 19 -9.893 -22.826 -1.815 1.00 61.41 C ATOM 289 CE2 TYR A 19 -12.282 -22.839 -1.405 1.00 22.05 C ATOM 290 CZ TYR A 19 -10.993 -23.271 -1.073 1.00 40.35 C ATOM 291 OH TYR A 19 -10.807 -24.137 -0.014 1.00 3.14 O ATOM 0 H TYR A 19 -9.595 -20.974 -5.768 1.00 63.13 H new ATOM 0 HA TYR A 19 -12.292 -22.254 -5.556 1.00 44.35 H new ATOM 0 HB2 TYR A 19 -10.737 -19.866 -4.435 1.00 63.24 H new ATOM 0 HB3 TYR A 19 -12.473 -19.967 -4.214 1.00 63.24 H new ATOM 0 HD1 TYR A 19 -9.232 -21.605 -3.459 1.00 22.20 H new ATOM 0 HD2 TYR A 19 -13.467 -21.627 -2.734 1.00 62.33 H new ATOM 0 HE1 TYR A 19 -8.899 -23.161 -1.560 1.00 61.41 H new ATOM 0 HE2 TYR A 19 -13.131 -23.184 -0.833 1.00 22.05 H new ATOM 0 HH TYR A 19 -11.673 -24.346 0.394 1.00 3.14 H new ATOM 301 N ARG A 20 -13.678 -20.429 -6.731 1.00 52.03 N ATOM 302 CA ARG A 20 -14.391 -19.609 -7.749 1.00 43.14 C ATOM 303 C ARG A 20 -15.385 -18.657 -7.069 1.00 14.32 C ATOM 304 O ARG A 20 -16.050 -19.009 -6.116 1.00 13.54 O ATOM 305 CB ARG A 20 -15.126 -20.619 -8.632 1.00 1.23 C ATOM 306 CG ARG A 20 -16.205 -21.329 -7.815 1.00 53.11 C ATOM 307 CD ARG A 20 -17.573 -21.082 -8.451 1.00 34.02 C ATOM 308 NE ARG A 20 -18.453 -22.146 -7.895 1.00 61.42 N ATOM 309 CZ ARG A 20 -18.263 -23.393 -8.226 1.00 42.51 C ATOM 310 NH1 ARG A 20 -18.063 -23.714 -9.476 1.00 61.13 N ATOM 311 NH2 ARG A 20 -18.272 -24.322 -7.308 1.00 71.05 N ATOM 0 H ARG A 20 -14.278 -20.904 -6.057 1.00 52.03 H new ATOM 0 HA ARG A 20 -13.708 -18.987 -8.327 1.00 43.14 H new ATOM 0 HB2 ARG A 20 -15.577 -20.111 -9.484 1.00 1.23 H new ATOM 0 HB3 ARG A 20 -14.421 -21.348 -9.032 1.00 1.23 H new ATOM 0 HG2 ARG A 20 -15.999 -22.399 -7.773 1.00 53.11 H new ATOM 0 HG3 ARG A 20 -16.198 -20.963 -6.788 1.00 53.11 H new ATOM 0 HD2 ARG A 20 -17.950 -20.089 -8.204 1.00 34.02 H new ATOM 0 HD3 ARG A 20 -17.520 -21.142 -9.538 1.00 34.02 H new ATOM 0 HE ARG A 20 -19.207 -21.899 -7.253 1.00 61.42 H new ATOM 0 HH11 ARG A 20 -18.055 -22.989 -10.194 1.00 61.13 H new ATOM 0 HH12 ARG A 20 -17.914 -24.689 -9.735 1.00 61.13 H new ATOM 0 HH21 ARG A 20 -18.428 -24.072 -6.331 1.00 71.05 H new ATOM 0 HH22 ARG A 20 -18.123 -25.297 -7.568 1.00 71.05 H new ATOM 325 N SER A 21 -15.481 -17.452 -7.555 1.00 1.11 N ATOM 326 CA SER A 21 -16.429 -16.473 -6.944 1.00 32.42 C ATOM 327 C SER A 21 -17.874 -16.887 -7.233 1.00 32.54 C ATOM 328 O SER A 21 -18.207 -17.296 -8.327 1.00 44.31 O ATOM 329 CB SER A 21 -16.109 -15.140 -7.618 1.00 23.24 C ATOM 330 OG SER A 21 -14.914 -14.605 -7.062 1.00 5.42 O ATOM 0 H SER A 21 -14.945 -17.100 -8.349 1.00 1.11 H new ATOM 0 HA SER A 21 -16.325 -16.417 -5.860 1.00 32.42 H new ATOM 0 HB2 SER A 21 -15.992 -15.282 -8.692 1.00 23.24 H new ATOM 0 HB3 SER A 21 -16.934 -14.441 -7.477 1.00 23.24 H new ATOM 0 HG SER A 21 -14.729 -15.041 -6.204 1.00 5.42 H new ATOM 336 N SER A 22 -18.734 -16.786 -6.257 1.00 11.44 N ATOM 337 CA SER A 22 -20.156 -17.178 -6.470 1.00 41.51 C ATOM 338 C SER A 22 -20.721 -16.511 -7.727 1.00 4.42 C ATOM 339 O SER A 22 -21.445 -17.121 -8.489 1.00 13.13 O ATOM 340 CB SER A 22 -20.896 -16.689 -5.225 1.00 52.33 C ATOM 341 OG SER A 22 -19.960 -16.460 -4.181 1.00 12.51 O ATOM 0 H SER A 22 -18.513 -16.449 -5.320 1.00 11.44 H new ATOM 0 HA SER A 22 -20.263 -18.253 -6.614 1.00 41.51 H new ATOM 0 HB2 SER A 22 -21.440 -15.771 -5.449 1.00 52.33 H new ATOM 0 HB3 SER A 22 -21.633 -17.429 -4.912 1.00 52.33 H new ATOM 0 HG SER A 22 -20.432 -16.145 -3.382 1.00 12.51 H new ATOM 347 N LYS A 23 -20.406 -15.264 -7.952 1.00 21.14 N ATOM 348 CA LYS A 23 -20.942 -14.575 -9.164 1.00 52.22 C ATOM 349 C LYS A 23 -20.026 -13.421 -9.586 1.00 55.33 C ATOM 350 O LYS A 23 -20.076 -12.339 -9.034 1.00 41.10 O ATOM 351 CB LYS A 23 -22.313 -14.043 -8.741 1.00 13.42 C ATOM 352 CG LYS A 23 -22.139 -12.988 -7.649 1.00 14.11 C ATOM 353 CD LYS A 23 -23.035 -13.331 -6.459 1.00 11.34 C ATOM 354 CE LYS A 23 -22.483 -12.666 -5.197 1.00 4.01 C ATOM 355 NZ LYS A 23 -21.055 -13.088 -5.135 1.00 54.24 N ATOM 0 H LYS A 23 -19.806 -14.695 -7.355 1.00 21.14 H new ATOM 0 HA LYS A 23 -21.006 -15.248 -10.019 1.00 52.22 H new ATOM 0 HB2 LYS A 23 -22.827 -13.611 -9.599 1.00 13.42 H new ATOM 0 HB3 LYS A 23 -22.934 -14.860 -8.375 1.00 13.42 H new ATOM 0 HG2 LYS A 23 -21.097 -12.946 -7.332 1.00 14.11 H new ATOM 0 HG3 LYS A 23 -22.394 -12.002 -8.037 1.00 14.11 H new ATOM 0 HD2 LYS A 23 -24.053 -12.990 -6.647 1.00 11.34 H new ATOM 0 HD3 LYS A 23 -23.080 -14.412 -6.324 1.00 11.34 H new ATOM 0 HE2 LYS A 23 -22.572 -11.581 -5.251 1.00 4.01 H new ATOM 0 HE3 LYS A 23 -23.029 -12.987 -4.310 1.00 4.01 H new ATOM 0 HZ1 LYS A 23 -20.807 -13.330 -4.155 1.00 54.24 H new ATOM 0 HZ2 LYS A 23 -20.912 -13.919 -5.744 1.00 54.24 H new ATOM 0 HZ3 LYS A 23 -20.448 -12.310 -5.463 1.00 54.24 H new ATOM 369 N ARG A 24 -19.197 -13.638 -10.571 1.00 71.23 N ATOM 370 CA ARG A 24 -18.290 -12.549 -11.034 1.00 71.14 C ATOM 371 C ARG A 24 -17.815 -12.837 -12.461 1.00 44.40 C ATOM 372 O ARG A 24 -18.079 -13.887 -13.011 1.00 24.53 O ATOM 373 CB ARG A 24 -17.113 -12.570 -10.059 1.00 15.21 C ATOM 374 CG ARG A 24 -17.416 -11.656 -8.870 1.00 33.31 C ATOM 375 CD ARG A 24 -16.162 -10.858 -8.500 1.00 55.15 C ATOM 376 NE ARG A 24 -16.352 -9.524 -9.133 1.00 22.21 N ATOM 377 CZ ARG A 24 -16.828 -8.528 -8.433 1.00 2.24 C ATOM 378 NH1 ARG A 24 -17.557 -8.762 -7.377 1.00 32.32 N ATOM 379 NH2 ARG A 24 -16.573 -7.299 -8.790 1.00 53.31 N ATOM 0 H ARG A 24 -19.109 -14.521 -11.074 1.00 71.23 H new ATOM 0 HA ARG A 24 -18.782 -11.577 -11.051 1.00 71.14 H new ATOM 0 HB2 ARG A 24 -16.933 -13.588 -9.712 1.00 15.21 H new ATOM 0 HB3 ARG A 24 -16.204 -12.240 -10.563 1.00 15.21 H new ATOM 0 HG2 ARG A 24 -18.231 -10.976 -9.120 1.00 33.31 H new ATOM 0 HG3 ARG A 24 -17.746 -12.250 -8.017 1.00 33.31 H new ATOM 0 HD2 ARG A 24 -16.055 -10.770 -7.419 1.00 55.15 H new ATOM 0 HD3 ARG A 24 -15.260 -11.346 -8.871 1.00 55.15 H new ATOM 0 HE ARG A 24 -16.110 -9.387 -10.114 1.00 22.21 H new ATOM 0 HH11 ARG A 24 -17.756 -9.722 -7.097 1.00 32.32 H new ATOM 0 HH12 ARG A 24 -17.928 -7.984 -6.831 1.00 32.32 H new ATOM 0 HH21 ARG A 24 -16.002 -7.116 -9.615 1.00 53.31 H new ATOM 0 HH22 ARG A 24 -16.944 -6.522 -8.244 1.00 53.31 H new ATOM 393 N ASP A 25 -17.118 -11.915 -13.064 1.00 14.02 N ATOM 394 CA ASP A 25 -16.627 -12.140 -14.453 1.00 11.32 C ATOM 395 C ASP A 25 -15.786 -13.415 -14.511 1.00 14.04 C ATOM 396 O ASP A 25 -16.046 -14.313 -15.288 1.00 64.24 O ATOM 397 CB ASP A 25 -15.770 -10.916 -14.773 1.00 54.23 C ATOM 398 CG ASP A 25 -16.350 -10.186 -15.985 1.00 75.12 C ATOM 399 OD1 ASP A 25 -16.446 -10.800 -17.033 1.00 53.14 O ATOM 400 OD2 ASP A 25 -16.693 -9.023 -15.842 1.00 10.11 O ATOM 0 H ASP A 25 -16.867 -11.015 -12.655 1.00 14.02 H new ATOM 0 HA ASP A 25 -17.442 -12.263 -15.167 1.00 11.32 H new ATOM 0 HB2 ASP A 25 -15.739 -10.247 -13.913 1.00 54.23 H new ATOM 0 HB3 ASP A 25 -14.744 -11.221 -14.977 1.00 54.23 H new ATOM 405 N GLN A 26 -14.777 -13.496 -13.691 1.00 1.44 N ATOM 406 CA GLN A 26 -13.910 -14.708 -13.687 1.00 13.33 C ATOM 407 C GLN A 26 -12.884 -14.603 -12.555 1.00 13.02 C ATOM 408 O GLN A 26 -11.692 -14.679 -12.774 1.00 55.32 O ATOM 409 CB GLN A 26 -13.213 -14.700 -15.048 1.00 35.32 C ATOM 410 CG GLN A 26 -13.753 -15.848 -15.904 1.00 12.41 C ATOM 411 CD GLN A 26 -13.957 -15.363 -17.340 1.00 14.25 C ATOM 412 OE1 GLN A 26 -13.146 -15.624 -18.203 1.00 14.45 O ATOM 413 NE2 GLN A 26 -15.018 -14.662 -17.635 1.00 72.24 N ATOM 0 H GLN A 26 -14.514 -12.773 -13.021 1.00 1.44 H new ATOM 0 HA GLN A 26 -14.474 -15.627 -13.528 1.00 13.33 H new ATOM 0 HB2 GLN A 26 -13.382 -13.747 -15.550 1.00 35.32 H new ATOM 0 HB3 GLN A 26 -12.136 -14.805 -14.918 1.00 35.32 H new ATOM 0 HG2 GLN A 26 -13.057 -16.686 -15.888 1.00 12.41 H new ATOM 0 HG3 GLN A 26 -14.696 -16.209 -15.494 1.00 12.41 H new ATOM 0 HE21 GLN A 26 -15.701 -14.442 -16.910 1.00 72.24 H new ATOM 0 HE22 GLN A 26 -15.164 -14.335 -18.590 1.00 72.24 H new ATOM 422 N THR A 27 -13.341 -14.416 -11.348 1.00 64.05 N ATOM 423 CA THR A 27 -12.399 -14.294 -10.200 1.00 31.54 C ATOM 424 C THR A 27 -12.153 -15.663 -9.559 1.00 63.04 C ATOM 425 O THR A 27 -13.078 -16.398 -9.262 1.00 34.35 O ATOM 426 CB THR A 27 -13.101 -13.362 -9.213 1.00 21.01 C ATOM 427 OG1 THR A 27 -13.154 -12.053 -9.760 1.00 2.20 O ATOM 428 CG2 THR A 27 -12.329 -13.336 -7.894 1.00 71.12 C ATOM 0 H THR A 27 -14.329 -14.342 -11.106 1.00 64.05 H new ATOM 0 HA THR A 27 -11.426 -13.911 -10.507 1.00 31.54 H new ATOM 0 HB THR A 27 -14.113 -13.722 -9.029 1.00 21.01 H new ATOM 0 HG1 THR A 27 -13.890 -11.998 -10.405 1.00 2.20 H new ATOM 0 HG21 THR A 27 -12.831 -12.671 -7.192 1.00 71.12 H new ATOM 0 HG22 THR A 27 -12.289 -14.342 -7.476 1.00 71.12 H new ATOM 0 HG23 THR A 27 -11.316 -12.977 -8.073 1.00 71.12 H new ATOM 436 N TYR A 28 -10.915 -16.009 -9.339 1.00 63.43 N ATOM 437 CA TYR A 28 -10.608 -17.327 -8.711 1.00 22.12 C ATOM 438 C TYR A 28 -9.516 -17.164 -7.654 1.00 61.42 C ATOM 439 O TYR A 28 -8.631 -16.340 -7.782 1.00 0.25 O ATOM 440 CB TYR A 28 -10.116 -18.207 -9.861 1.00 40.11 C ATOM 441 CG TYR A 28 -11.299 -18.692 -10.663 1.00 51.01 C ATOM 442 CD1 TYR A 28 -11.974 -17.814 -11.519 1.00 2.03 C ATOM 443 CD2 TYR A 28 -11.722 -20.023 -10.549 1.00 3.44 C ATOM 444 CE1 TYR A 28 -13.070 -18.264 -12.263 1.00 43.41 C ATOM 445 CE2 TYR A 28 -12.819 -20.473 -11.295 1.00 3.40 C ATOM 446 CZ TYR A 28 -13.493 -19.593 -12.152 1.00 2.42 C ATOM 447 OH TYR A 28 -14.574 -20.037 -12.884 1.00 53.41 O ATOM 0 H TYR A 28 -10.102 -15.437 -9.567 1.00 63.43 H new ATOM 0 HA TYR A 28 -11.474 -17.759 -8.209 1.00 22.12 H new ATOM 0 HB2 TYR A 28 -9.436 -17.643 -10.500 1.00 40.11 H new ATOM 0 HB3 TYR A 28 -9.555 -19.056 -9.470 1.00 40.11 H new ATOM 0 HD1 TYR A 28 -11.648 -16.788 -11.605 1.00 2.03 H new ATOM 0 HD2 TYR A 28 -11.203 -20.701 -9.887 1.00 3.44 H new ATOM 0 HE1 TYR A 28 -13.590 -17.585 -12.923 1.00 43.41 H new ATOM 0 HE2 TYR A 28 -13.145 -21.499 -11.209 1.00 3.40 H new ATOM 0 HH TYR A 28 -14.733 -20.984 -12.690 1.00 53.41 H new ATOM 457 N LEU A 29 -9.570 -17.942 -6.607 1.00 62.21 N ATOM 458 CA LEU A 29 -8.534 -17.827 -5.543 1.00 71.35 C ATOM 459 C LEU A 29 -7.608 -19.044 -5.576 1.00 5.41 C ATOM 460 O LEU A 29 -7.988 -20.116 -5.998 1.00 41.41 O ATOM 461 CB LEU A 29 -9.317 -17.783 -4.231 1.00 44.35 C ATOM 462 CG LEU A 29 -9.227 -16.380 -3.633 1.00 25.14 C ATOM 463 CD1 LEU A 29 -9.878 -16.370 -2.249 1.00 23.32 C ATOM 464 CD2 LEU A 29 -7.758 -15.975 -3.509 1.00 51.01 C ATOM 0 H LEU A 29 -10.285 -18.650 -6.443 1.00 62.21 H new ATOM 0 HA LEU A 29 -7.905 -16.946 -5.671 1.00 71.35 H new ATOM 0 HB2 LEU A 29 -10.359 -18.049 -4.408 1.00 44.35 H new ATOM 0 HB3 LEU A 29 -8.916 -18.515 -3.530 1.00 44.35 H new ATOM 0 HG LEU A 29 -9.746 -15.674 -4.281 1.00 25.14 H new ATOM 0 HD11 LEU A 29 -9.813 -15.369 -1.824 1.00 23.32 H new ATOM 0 HD12 LEU A 29 -10.925 -16.660 -2.337 1.00 23.32 H new ATOM 0 HD13 LEU A 29 -9.360 -17.075 -1.598 1.00 23.32 H new ATOM 0 HD21 LEU A 29 -7.691 -14.974 -3.083 1.00 51.01 H new ATOM 0 HD22 LEU A 29 -7.239 -16.681 -2.860 1.00 51.01 H new ATOM 0 HD23 LEU A 29 -7.295 -15.981 -4.496 1.00 51.01 H new ATOM 476 N TYR A 30 -6.388 -18.885 -5.131 1.00 3.54 N ATOM 477 CA TYR A 30 -5.437 -20.035 -5.138 1.00 62.33 C ATOM 478 C TYR A 30 -4.797 -20.199 -3.756 1.00 65.40 C ATOM 479 O TYR A 30 -4.438 -19.235 -3.110 1.00 70.03 O ATOM 480 CB TYR A 30 -4.377 -19.668 -6.178 1.00 73.21 C ATOM 481 CG TYR A 30 -4.972 -19.762 -7.565 1.00 74.13 C ATOM 482 CD1 TYR A 30 -5.854 -18.773 -8.017 1.00 24.42 C ATOM 483 CD2 TYR A 30 -4.635 -20.836 -8.398 1.00 50.02 C ATOM 484 CE1 TYR A 30 -6.402 -18.862 -9.303 1.00 31.23 C ATOM 485 CE2 TYR A 30 -5.182 -20.922 -9.684 1.00 42.34 C ATOM 486 CZ TYR A 30 -6.065 -19.936 -10.135 1.00 24.04 C ATOM 487 OH TYR A 30 -6.603 -20.020 -11.404 1.00 20.31 O ATOM 0 H TYR A 30 -6.011 -18.011 -4.764 1.00 3.54 H new ATOM 0 HA TYR A 30 -5.931 -20.977 -5.375 1.00 62.33 H new ATOM 0 HB2 TYR A 30 -4.010 -18.658 -5.997 1.00 73.21 H new ATOM 0 HB3 TYR A 30 -3.522 -20.338 -6.092 1.00 73.21 H new ATOM 0 HD1 TYR A 30 -6.111 -17.943 -7.375 1.00 24.42 H new ATOM 0 HD2 TYR A 30 -3.954 -21.598 -8.049 1.00 50.02 H new ATOM 0 HE1 TYR A 30 -7.085 -18.102 -9.653 1.00 31.23 H new ATOM 0 HE2 TYR A 30 -4.922 -21.750 -10.327 1.00 42.34 H new ATOM 0 HH TYR A 30 -6.266 -20.825 -11.850 1.00 20.31 H new ATOM 497 N VAL A 31 -4.650 -21.412 -3.302 1.00 71.23 N ATOM 498 CA VAL A 31 -4.029 -21.642 -1.961 1.00 53.21 C ATOM 499 C VAL A 31 -3.308 -22.990 -1.938 1.00 71.22 C ATOM 500 O VAL A 31 -3.697 -23.927 -2.605 1.00 25.14 O ATOM 501 CB VAL A 31 -5.179 -21.647 -0.943 1.00 11.15 C ATOM 502 CG1 VAL A 31 -5.365 -20.237 -0.382 1.00 13.13 C ATOM 503 CG2 VAL A 31 -6.482 -22.111 -1.604 1.00 4.24 C ATOM 0 H VAL A 31 -4.932 -22.257 -3.799 1.00 71.23 H new ATOM 0 HA VAL A 31 -3.297 -20.869 -1.730 1.00 53.21 H new ATOM 0 HB VAL A 31 -4.932 -22.338 -0.137 1.00 11.15 H new ATOM 0 HG11 VAL A 31 -6.181 -20.238 0.341 1.00 13.13 H new ATOM 0 HG12 VAL A 31 -4.446 -19.916 0.108 1.00 13.13 H new ATOM 0 HG13 VAL A 31 -5.601 -19.550 -1.195 1.00 13.13 H new ATOM 0 HG21 VAL A 31 -7.285 -22.108 -0.867 1.00 4.24 H new ATOM 0 HG22 VAL A 31 -6.736 -21.435 -2.421 1.00 4.24 H new ATOM 0 HG23 VAL A 31 -6.352 -23.120 -1.995 1.00 4.24 H new ATOM 513 N GLU A 32 -2.264 -23.097 -1.167 1.00 45.34 N ATOM 514 CA GLU A 32 -1.529 -24.392 -1.095 1.00 33.34 C ATOM 515 C GLU A 32 -2.445 -25.464 -0.504 1.00 12.21 C ATOM 516 O GLU A 32 -2.157 -26.644 -0.556 1.00 75.14 O ATOM 517 CB GLU A 32 -0.336 -24.131 -0.173 1.00 35.22 C ATOM 518 CG GLU A 32 -0.829 -23.531 1.145 1.00 70.31 C ATOM 519 CD GLU A 32 0.199 -23.804 2.246 1.00 4.13 C ATOM 520 OE1 GLU A 32 0.168 -24.890 2.800 1.00 63.23 O ATOM 521 OE2 GLU A 32 0.998 -22.922 2.515 1.00 20.13 O ATOM 0 H GLU A 32 -1.888 -22.348 -0.585 1.00 45.34 H new ATOM 0 HA GLU A 32 -1.204 -24.744 -2.074 1.00 33.34 H new ATOM 0 HB2 GLU A 32 0.200 -25.061 0.017 1.00 35.22 H new ATOM 0 HB3 GLU A 32 0.366 -23.450 -0.654 1.00 35.22 H new ATOM 0 HG2 GLU A 32 -0.982 -22.458 1.034 1.00 70.31 H new ATOM 0 HG3 GLU A 32 -1.792 -23.964 1.416 1.00 70.31 H new ATOM 528 N LYS A 33 -3.555 -25.057 0.050 1.00 53.03 N ATOM 529 CA LYS A 33 -4.502 -26.040 0.642 1.00 41.32 C ATOM 530 C LYS A 33 -5.885 -25.397 0.795 1.00 4.51 C ATOM 531 O LYS A 33 -6.031 -24.193 0.731 1.00 52.00 O ATOM 532 CB LYS A 33 -3.902 -26.408 2.004 1.00 23.44 C ATOM 533 CG LYS A 33 -4.252 -25.335 3.039 1.00 72.44 C ATOM 534 CD LYS A 33 -3.087 -25.164 4.017 1.00 63.22 C ATOM 535 CE LYS A 33 -2.713 -23.683 4.111 1.00 74.05 C ATOM 536 NZ LYS A 33 -1.735 -23.601 5.233 1.00 24.44 N ATOM 0 H LYS A 33 -3.846 -24.082 0.117 1.00 53.03 H new ATOM 0 HA LYS A 33 -4.634 -26.925 0.020 1.00 41.32 H new ATOM 0 HB2 LYS A 33 -4.283 -27.376 2.329 1.00 23.44 H new ATOM 0 HB3 LYS A 33 -2.820 -26.504 1.920 1.00 23.44 H new ATOM 0 HG2 LYS A 33 -4.463 -24.389 2.540 1.00 72.44 H new ATOM 0 HG3 LYS A 33 -5.155 -25.618 3.580 1.00 72.44 H new ATOM 0 HD2 LYS A 33 -3.365 -25.543 5.000 1.00 63.22 H new ATOM 0 HD3 LYS A 33 -2.229 -25.746 3.682 1.00 63.22 H new ATOM 0 HE2 LYS A 33 -2.274 -23.327 3.179 1.00 74.05 H new ATOM 0 HE3 LYS A 33 -3.590 -23.066 4.307 1.00 74.05 H new ATOM 0 HZ1 LYS A 33 -1.432 -22.614 5.358 1.00 24.44 H new ATOM 0 HZ2 LYS A 33 -2.182 -23.940 6.109 1.00 24.44 H new ATOM 0 HZ3 LYS A 33 -0.907 -24.192 5.016 1.00 24.44 H new ATOM 550 N LYS A 34 -6.900 -26.191 0.992 1.00 62.24 N ATOM 551 CA LYS A 34 -8.271 -25.624 1.142 1.00 22.25 C ATOM 552 C LYS A 34 -8.571 -25.323 2.614 1.00 15.00 C ATOM 553 O LYS A 34 -9.486 -25.873 3.192 1.00 50.34 O ATOM 554 CB LYS A 34 -9.206 -26.713 0.612 1.00 52.21 C ATOM 555 CG LYS A 34 -9.106 -27.953 1.501 1.00 32.42 C ATOM 556 CD LYS A 34 -9.139 -29.209 0.628 1.00 43.25 C ATOM 557 CE LYS A 34 -7.709 -29.642 0.299 1.00 13.24 C ATOM 558 NZ LYS A 34 -7.183 -30.221 1.566 1.00 35.01 N ATOM 0 H LYS A 34 -6.841 -27.207 1.056 1.00 62.24 H new ATOM 0 HA LYS A 34 -8.389 -24.684 0.603 1.00 22.25 H new ATOM 0 HB2 LYS A 34 -10.233 -26.348 0.594 1.00 52.21 H new ATOM 0 HB3 LYS A 34 -8.940 -26.967 -0.414 1.00 52.21 H new ATOM 0 HG2 LYS A 34 -8.184 -27.924 2.081 1.00 32.42 H new ATOM 0 HG3 LYS A 34 -9.931 -27.970 2.214 1.00 32.42 H new ATOM 0 HD2 LYS A 34 -9.663 -30.012 1.147 1.00 43.25 H new ATOM 0 HD3 LYS A 34 -9.691 -29.011 -0.291 1.00 43.25 H new ATOM 0 HE2 LYS A 34 -7.694 -30.376 -0.507 1.00 13.24 H new ATOM 0 HE3 LYS A 34 -7.106 -28.796 -0.029 1.00 13.24 H new ATOM 0 HZ1 LYS A 34 -6.300 -29.738 1.828 1.00 35.01 H new ATOM 0 HZ2 LYS A 34 -7.885 -30.094 2.323 1.00 35.01 H new ATOM 0 HZ3 LYS A 34 -6.997 -31.236 1.433 1.00 35.01 H new ATOM 572 N ASP A 35 -7.812 -24.454 3.225 1.00 34.34 N ATOM 573 CA ASP A 35 -8.068 -24.131 4.660 1.00 71.22 C ATOM 574 C ASP A 35 -8.888 -22.844 4.786 1.00 5.22 C ATOM 575 O ASP A 35 -10.052 -22.872 5.134 1.00 15.40 O ATOM 576 CB ASP A 35 -6.682 -23.940 5.281 1.00 24.43 C ATOM 577 CG ASP A 35 -6.641 -24.607 6.657 1.00 53.42 C ATOM 578 OD1 ASP A 35 -7.074 -25.743 6.756 1.00 65.22 O ATOM 579 OD2 ASP A 35 -6.177 -23.971 7.589 1.00 72.14 O ATOM 0 H ASP A 35 -7.031 -23.956 2.797 1.00 34.34 H new ATOM 0 HA ASP A 35 -8.636 -24.917 5.157 1.00 71.22 H new ATOM 0 HB2 ASP A 35 -5.919 -24.372 4.633 1.00 24.43 H new ATOM 0 HB3 ASP A 35 -6.457 -22.878 5.374 1.00 24.43 H new ATOM 584 N ASP A 36 -8.291 -21.717 4.514 1.00 12.12 N ATOM 585 CA ASP A 36 -9.038 -20.434 4.626 1.00 23.11 C ATOM 586 C ASP A 36 -8.257 -19.295 3.969 1.00 20.21 C ATOM 587 O ASP A 36 -7.114 -19.447 3.587 1.00 61.32 O ATOM 588 CB ASP A 36 -9.173 -20.183 6.127 1.00 33.43 C ATOM 589 CG ASP A 36 -10.467 -20.818 6.636 1.00 24.34 C ATOM 590 OD1 ASP A 36 -11.523 -20.283 6.340 1.00 12.14 O ATOM 591 OD2 ASP A 36 -10.380 -21.829 7.314 1.00 23.33 O ATOM 0 H ASP A 36 -7.318 -21.629 4.219 1.00 12.12 H new ATOM 0 HA ASP A 36 -10.005 -20.484 4.126 1.00 23.11 H new ATOM 0 HB2 ASP A 36 -8.317 -20.603 6.655 1.00 33.43 H new ATOM 0 HB3 ASP A 36 -9.177 -19.112 6.328 1.00 33.43 H new ATOM 596 N PHE A 37 -8.866 -18.149 3.853 1.00 24.03 N ATOM 597 CA PHE A 37 -8.166 -16.984 3.243 1.00 74.33 C ATOM 598 C PHE A 37 -8.153 -15.822 4.239 1.00 12.50 C ATOM 599 O PHE A 37 -9.133 -15.122 4.405 1.00 40.33 O ATOM 600 CB PHE A 37 -9.004 -16.620 2.019 1.00 34.30 C ATOM 601 CG PHE A 37 -8.617 -17.499 0.857 1.00 23.41 C ATOM 602 CD1 PHE A 37 -9.235 -18.746 0.688 1.00 2.05 C ATOM 603 CD2 PHE A 37 -7.646 -17.072 -0.056 1.00 50.11 C ATOM 604 CE1 PHE A 37 -8.880 -19.563 -0.393 1.00 14.52 C ATOM 605 CE2 PHE A 37 -7.290 -17.890 -1.136 1.00 75.13 C ATOM 606 CZ PHE A 37 -7.908 -19.133 -1.305 1.00 51.33 C ATOM 0 H PHE A 37 -9.823 -17.968 4.156 1.00 24.03 H new ATOM 0 HA PHE A 37 -7.132 -17.205 2.978 1.00 74.33 H new ATOM 0 HB2 PHE A 37 -10.064 -16.742 2.243 1.00 34.30 H new ATOM 0 HB3 PHE A 37 -8.852 -15.572 1.761 1.00 34.30 H new ATOM 0 HD1 PHE A 37 -9.985 -19.077 1.391 1.00 2.05 H new ATOM 0 HD2 PHE A 37 -7.171 -16.111 0.072 1.00 50.11 H new ATOM 0 HE1 PHE A 37 -9.356 -20.524 -0.523 1.00 14.52 H new ATOM 0 HE2 PHE A 37 -6.538 -17.561 -1.838 1.00 75.13 H new ATOM 0 HZ PHE A 37 -7.635 -19.762 -2.140 1.00 51.33 H new ATOM 616 N SER A 38 -7.054 -15.617 4.911 1.00 72.43 N ATOM 617 CA SER A 38 -6.983 -14.508 5.904 1.00 65.22 C ATOM 618 C SER A 38 -6.031 -13.408 5.424 1.00 42.55 C ATOM 619 O SER A 38 -5.919 -12.365 6.038 1.00 10.02 O ATOM 620 CB SER A 38 -6.447 -15.154 7.180 1.00 2.41 C ATOM 621 OG SER A 38 -5.193 -15.765 6.905 1.00 3.54 O ATOM 0 H SER A 38 -6.202 -16.169 4.816 1.00 72.43 H new ATOM 0 HA SER A 38 -7.954 -14.036 6.055 1.00 65.22 H new ATOM 0 HB2 SER A 38 -6.335 -14.403 7.962 1.00 2.41 H new ATOM 0 HB3 SER A 38 -7.154 -15.897 7.550 1.00 2.41 H new ATOM 0 HG SER A 38 -4.845 -16.179 7.722 1.00 3.54 H new ATOM 627 N ARG A 39 -5.339 -13.628 4.340 1.00 30.54 N ATOM 628 CA ARG A 39 -4.392 -12.588 3.846 1.00 24.11 C ATOM 629 C ARG A 39 -5.033 -11.767 2.727 1.00 75.23 C ATOM 630 O ARG A 39 -4.572 -10.693 2.396 1.00 1.14 O ATOM 631 CB ARG A 39 -3.183 -13.358 3.315 1.00 30.41 C ATOM 632 CG ARG A 39 -1.974 -12.422 3.268 1.00 32.01 C ATOM 633 CD ARG A 39 -1.062 -12.705 4.465 1.00 44.40 C ATOM 634 NE ARG A 39 0.252 -12.106 4.098 1.00 34.23 N ATOM 635 CZ ARG A 39 0.845 -11.285 4.918 1.00 54.23 C ATOM 636 NH1 ARG A 39 1.203 -11.695 6.105 1.00 33.34 N ATOM 637 NH2 ARG A 39 1.085 -10.055 4.556 1.00 12.42 N ATOM 0 H ARG A 39 -5.387 -14.478 3.778 1.00 30.54 H new ATOM 0 HA ARG A 39 -4.114 -11.888 4.634 1.00 24.11 H new ATOM 0 HB2 ARG A 39 -2.971 -14.214 3.956 1.00 30.41 H new ATOM 0 HB3 ARG A 39 -3.394 -13.750 2.320 1.00 30.41 H new ATOM 0 HG2 ARG A 39 -1.425 -12.566 2.337 1.00 32.01 H new ATOM 0 HG3 ARG A 39 -2.304 -11.383 3.286 1.00 32.01 H new ATOM 0 HD2 ARG A 39 -1.458 -12.259 5.377 1.00 44.40 H new ATOM 0 HD3 ARG A 39 -0.971 -13.776 4.647 1.00 44.40 H new ATOM 0 HE ARG A 39 0.687 -12.338 3.205 1.00 34.23 H new ATOM 0 HH11 ARG A 39 1.018 -12.657 6.389 1.00 33.34 H new ATOM 0 HH12 ARG A 39 1.667 -11.053 6.748 1.00 33.34 H new ATOM 0 HH21 ARG A 39 0.808 -9.733 3.629 1.00 12.42 H new ATOM 0 HH22 ARG A 39 1.549 -9.415 5.200 1.00 12.42 H new ATOM 651 N VAL A 40 -6.092 -12.253 2.144 1.00 22.42 N ATOM 652 CA VAL A 40 -6.747 -11.483 1.052 1.00 21.41 C ATOM 653 C VAL A 40 -7.310 -10.175 1.611 1.00 44.15 C ATOM 654 O VAL A 40 -7.945 -10.163 2.648 1.00 54.10 O ATOM 655 CB VAL A 40 -7.872 -12.384 0.544 1.00 14.20 C ATOM 656 CG1 VAL A 40 -8.874 -12.638 1.671 1.00 51.14 C ATOM 657 CG2 VAL A 40 -8.581 -11.700 -0.627 1.00 53.12 C ATOM 0 H VAL A 40 -6.530 -13.145 2.375 1.00 22.42 H new ATOM 0 HA VAL A 40 -6.055 -11.220 0.252 1.00 21.41 H new ATOM 0 HB VAL A 40 -7.454 -13.334 0.212 1.00 14.20 H new ATOM 0 HG11 VAL A 40 -9.676 -13.281 1.307 1.00 51.14 H new ATOM 0 HG12 VAL A 40 -8.368 -13.125 2.505 1.00 51.14 H new ATOM 0 HG13 VAL A 40 -9.293 -11.689 2.006 1.00 51.14 H new ATOM 0 HG21 VAL A 40 -9.384 -12.341 -0.991 1.00 53.12 H new ATOM 0 HG22 VAL A 40 -8.998 -10.749 -0.295 1.00 53.12 H new ATOM 0 HG23 VAL A 40 -7.867 -11.522 -1.431 1.00 53.12 H new ATOM 667 N PRO A 41 -7.046 -9.113 0.904 1.00 70.03 N ATOM 668 CA PRO A 41 -7.518 -7.772 1.330 1.00 32.12 C ATOM 669 C PRO A 41 -9.041 -7.676 1.219 1.00 62.44 C ATOM 670 O PRO A 41 -9.637 -8.134 0.264 1.00 65.13 O ATOM 671 CB PRO A 41 -6.837 -6.826 0.342 1.00 23.22 C ATOM 672 CG PRO A 41 -6.564 -7.667 -0.861 1.00 22.34 C ATOM 673 CD PRO A 41 -6.296 -9.058 -0.354 1.00 70.13 C ATOM 0 HA PRO A 41 -7.279 -7.543 2.369 1.00 32.12 H new ATOM 0 HB2 PRO A 41 -7.479 -5.980 0.096 1.00 23.22 H new ATOM 0 HB3 PRO A 41 -5.916 -6.417 0.756 1.00 23.22 H new ATOM 0 HG2 PRO A 41 -7.415 -7.659 -1.542 1.00 22.34 H new ATOM 0 HG3 PRO A 41 -5.708 -7.284 -1.416 1.00 22.34 H new ATOM 0 HD2 PRO A 41 -6.639 -9.815 -1.059 1.00 70.13 H new ATOM 0 HD3 PRO A 41 -5.231 -9.229 -0.195 1.00 70.13 H new ATOM 681 N GLU A 42 -9.674 -7.076 2.191 1.00 35.11 N ATOM 682 CA GLU A 42 -11.158 -6.944 2.141 1.00 12.31 C ATOM 683 C GLU A 42 -11.566 -6.086 0.941 1.00 54.21 C ATOM 684 O GLU A 42 -12.723 -6.016 0.579 1.00 51.15 O ATOM 685 CB GLU A 42 -11.537 -6.256 3.453 1.00 4.22 C ATOM 686 CG GLU A 42 -13.027 -5.908 3.437 1.00 42.53 C ATOM 687 CD GLU A 42 -13.696 -6.466 4.695 1.00 0.31 C ATOM 688 OE1 GLU A 42 -12.999 -6.655 5.678 1.00 74.24 O ATOM 689 OE2 GLU A 42 -14.894 -6.694 4.654 1.00 71.35 O ATOM 0 H GLU A 42 -9.229 -6.673 3.015 1.00 35.11 H new ATOM 0 HA GLU A 42 -11.660 -7.905 2.029 1.00 12.31 H new ATOM 0 HB2 GLU A 42 -11.315 -6.910 4.296 1.00 4.22 H new ATOM 0 HB3 GLU A 42 -10.943 -5.352 3.586 1.00 4.22 H new ATOM 0 HG2 GLU A 42 -13.158 -4.827 3.392 1.00 42.53 H new ATOM 0 HG3 GLU A 42 -13.499 -6.324 2.547 1.00 42.53 H new ATOM 696 N GLU A 43 -10.620 -5.437 0.314 1.00 64.12 N ATOM 697 CA GLU A 43 -10.954 -4.591 -0.869 1.00 51.44 C ATOM 698 C GLU A 43 -11.329 -5.487 -2.049 1.00 31.31 C ATOM 699 O GLU A 43 -12.230 -5.189 -2.807 1.00 33.11 O ATOM 700 CB GLU A 43 -9.677 -3.804 -1.170 1.00 21.43 C ATOM 701 CG GLU A 43 -9.219 -3.068 0.089 1.00 45.32 C ATOM 702 CD GLU A 43 -10.302 -2.079 0.526 1.00 44.32 C ATOM 703 OE1 GLU A 43 -11.174 -1.793 -0.276 1.00 4.04 O ATOM 704 OE2 GLU A 43 -10.242 -1.626 1.658 1.00 33.23 O ATOM 0 H GLU A 43 -9.633 -5.456 0.569 1.00 64.12 H new ATOM 0 HA GLU A 43 -11.799 -3.927 -0.686 1.00 51.44 H new ATOM 0 HB2 GLU A 43 -8.894 -4.480 -1.513 1.00 21.43 H new ATOM 0 HB3 GLU A 43 -9.858 -3.091 -1.974 1.00 21.43 H new ATOM 0 HG2 GLU A 43 -9.020 -3.782 0.888 1.00 45.32 H new ATOM 0 HG3 GLU A 43 -8.286 -2.539 -0.105 1.00 45.32 H new ATOM 711 N LEU A 44 -10.650 -6.590 -2.202 1.00 54.24 N ATOM 712 CA LEU A 44 -10.971 -7.516 -3.322 1.00 12.51 C ATOM 713 C LEU A 44 -11.963 -8.579 -2.838 1.00 52.51 C ATOM 714 O LEU A 44 -12.986 -8.809 -3.448 1.00 21.22 O ATOM 715 CB LEU A 44 -9.639 -8.163 -3.708 1.00 73.12 C ATOM 716 CG LEU A 44 -9.414 -8.006 -5.213 1.00 70.34 C ATOM 717 CD1 LEU A 44 -7.973 -8.385 -5.558 1.00 71.51 C ATOM 718 CD2 LEU A 44 -10.378 -8.926 -5.967 1.00 23.24 C ATOM 0 H LEU A 44 -9.885 -6.890 -1.598 1.00 54.24 H new ATOM 0 HA LEU A 44 -11.426 -7.003 -4.169 1.00 12.51 H new ATOM 0 HB2 LEU A 44 -8.823 -7.697 -3.157 1.00 73.12 H new ATOM 0 HB3 LEU A 44 -9.644 -9.219 -3.438 1.00 73.12 H new ATOM 0 HG LEU A 44 -9.594 -6.971 -5.502 1.00 70.34 H new ATOM 0 HD11 LEU A 44 -7.814 -8.273 -6.630 1.00 71.51 H new ATOM 0 HD12 LEU A 44 -7.286 -7.732 -5.019 1.00 71.51 H new ATOM 0 HD13 LEU A 44 -7.790 -9.420 -5.271 1.00 71.51 H new ATOM 0 HD21 LEU A 44 -10.221 -8.817 -7.040 1.00 23.24 H new ATOM 0 HD22 LEU A 44 -10.195 -9.961 -5.677 1.00 23.24 H new ATOM 0 HD23 LEU A 44 -11.405 -8.656 -5.722 1.00 23.24 H new ATOM 730 N MET A 45 -11.664 -9.217 -1.740 1.00 65.34 N ATOM 731 CA MET A 45 -12.593 -10.256 -1.211 1.00 3.31 C ATOM 732 C MET A 45 -14.016 -9.697 -1.139 1.00 3.31 C ATOM 733 O MET A 45 -14.984 -10.426 -1.227 1.00 61.53 O ATOM 734 CB MET A 45 -12.072 -10.580 0.189 1.00 15.32 C ATOM 735 CG MET A 45 -13.048 -11.527 0.892 1.00 25.34 C ATOM 736 SD MET A 45 -12.138 -12.605 2.025 1.00 1.10 S ATOM 737 CE MET A 45 -11.523 -13.774 0.787 1.00 34.05 C ATOM 0 H MET A 45 -10.820 -9.065 -1.188 1.00 65.34 H new ATOM 0 HA MET A 45 -12.629 -11.142 -1.845 1.00 3.31 H new ATOM 0 HB2 MET A 45 -11.086 -11.040 0.124 1.00 15.32 H new ATOM 0 HB3 MET A 45 -11.958 -9.663 0.767 1.00 15.32 H new ATOM 0 HG2 MET A 45 -13.795 -10.954 1.441 1.00 25.34 H new ATOM 0 HG3 MET A 45 -13.584 -12.126 0.155 1.00 25.34 H new ATOM 0 HE1 MET A 45 -10.734 -14.386 1.224 1.00 34.05 H new ATOM 0 HE2 MET A 45 -12.339 -14.417 0.456 1.00 34.05 H new ATOM 0 HE3 MET A 45 -11.125 -13.225 -0.066 1.00 34.05 H new ATOM 747 N LYS A 46 -14.151 -8.406 -0.984 1.00 61.01 N ATOM 748 CA LYS A 46 -15.516 -7.808 -0.914 1.00 70.24 C ATOM 749 C LYS A 46 -16.403 -8.412 -2.002 1.00 34.12 C ATOM 750 O LYS A 46 -17.558 -8.713 -1.780 1.00 23.44 O ATOM 751 CB LYS A 46 -15.312 -6.313 -1.156 1.00 71.35 C ATOM 752 CG LYS A 46 -16.577 -5.550 -0.753 1.00 33.54 C ATOM 753 CD LYS A 46 -16.219 -4.098 -0.437 1.00 3.24 C ATOM 754 CE LYS A 46 -17.114 -3.588 0.694 1.00 61.52 C ATOM 755 NZ LYS A 46 -18.500 -3.674 0.157 1.00 61.30 N ATOM 0 H LYS A 46 -13.380 -7.743 -0.903 1.00 61.01 H new ATOM 0 HA LYS A 46 -16.004 -7.998 0.042 1.00 70.24 H new ATOM 0 HB2 LYS A 46 -14.459 -5.954 -0.579 1.00 71.35 H new ATOM 0 HB3 LYS A 46 -15.085 -6.132 -2.207 1.00 71.35 H new ATOM 0 HG2 LYS A 46 -17.309 -5.588 -1.559 1.00 33.54 H new ATOM 0 HG3 LYS A 46 -17.036 -6.020 0.117 1.00 33.54 H new ATOM 0 HD2 LYS A 46 -15.171 -4.025 -0.147 1.00 3.24 H new ATOM 0 HD3 LYS A 46 -16.348 -3.479 -1.325 1.00 3.24 H new ATOM 0 HE2 LYS A 46 -17.000 -4.195 1.592 1.00 61.52 H new ATOM 0 HE3 LYS A 46 -16.860 -2.564 0.968 1.00 61.52 H new ATOM 0 HZ1 LYS A 46 -19.121 -3.037 0.695 1.00 61.30 H new ATOM 0 HZ2 LYS A 46 -18.502 -3.395 -0.845 1.00 61.30 H new ATOM 0 HZ3 LYS A 46 -18.846 -4.651 0.245 1.00 61.30 H new ATOM 769 N GLY A 47 -15.866 -8.600 -3.175 1.00 13.21 N ATOM 770 CA GLY A 47 -16.675 -9.195 -4.273 1.00 23.34 C ATOM 771 C GLY A 47 -16.712 -10.711 -4.099 1.00 52.34 C ATOM 772 O GLY A 47 -17.749 -11.337 -4.208 1.00 62.41 O ATOM 0 H GLY A 47 -14.904 -8.368 -3.420 1.00 13.21 H new ATOM 0 HA2 GLY A 47 -17.687 -8.790 -4.257 1.00 23.34 H new ATOM 0 HA3 GLY A 47 -16.244 -8.938 -5.240 1.00 23.34 H new ATOM 776 N PHE A 48 -15.586 -11.311 -3.822 1.00 73.40 N ATOM 777 CA PHE A 48 -15.554 -12.789 -3.632 1.00 20.20 C ATOM 778 C PHE A 48 -16.463 -13.190 -2.468 1.00 44.12 C ATOM 779 O PHE A 48 -17.203 -14.150 -2.549 1.00 41.14 O ATOM 780 CB PHE A 48 -14.095 -13.117 -3.309 1.00 45.02 C ATOM 781 CG PHE A 48 -13.695 -14.381 -4.027 1.00 22.03 C ATOM 782 CD1 PHE A 48 -14.592 -15.452 -4.105 1.00 31.43 C ATOM 783 CD2 PHE A 48 -12.431 -14.481 -4.621 1.00 63.04 C ATOM 784 CE1 PHE A 48 -14.224 -16.625 -4.776 1.00 61.43 C ATOM 785 CE2 PHE A 48 -12.064 -15.653 -5.291 1.00 63.10 C ATOM 786 CZ PHE A 48 -12.961 -16.725 -5.368 1.00 23.30 C ATOM 0 H PHE A 48 -14.687 -10.841 -3.719 1.00 73.40 H new ATOM 0 HA PHE A 48 -15.907 -13.326 -4.512 1.00 20.20 H new ATOM 0 HB2 PHE A 48 -13.450 -12.293 -3.613 1.00 45.02 H new ATOM 0 HB3 PHE A 48 -13.968 -13.241 -2.234 1.00 45.02 H new ATOM 0 HD1 PHE A 48 -15.567 -15.374 -3.648 1.00 31.43 H new ATOM 0 HD2 PHE A 48 -11.739 -13.654 -4.562 1.00 63.04 H new ATOM 0 HE1 PHE A 48 -14.916 -17.452 -4.836 1.00 61.43 H new ATOM 0 HE2 PHE A 48 -11.089 -15.731 -5.749 1.00 63.10 H new ATOM 0 HZ PHE A 48 -12.677 -17.630 -5.885 1.00 23.30 H new ATOM 796 N GLY A 49 -16.413 -12.463 -1.385 1.00 13.15 N ATOM 797 CA GLY A 49 -17.273 -12.805 -0.218 1.00 21.04 C ATOM 798 C GLY A 49 -16.981 -14.237 0.226 1.00 13.10 C ATOM 799 O GLY A 49 -16.100 -14.482 1.026 1.00 20.22 O ATOM 0 H GLY A 49 -15.814 -11.647 -1.259 1.00 13.15 H new ATOM 0 HA2 GLY A 49 -17.084 -12.113 0.602 1.00 21.04 H new ATOM 0 HA3 GLY A 49 -18.325 -12.703 -0.485 1.00 21.04 H new ATOM 803 N GLN A 50 -17.709 -15.189 -0.290 1.00 43.02 N ATOM 804 CA GLN A 50 -17.466 -16.604 0.103 1.00 2.44 C ATOM 805 C GLN A 50 -16.975 -17.405 -1.106 1.00 65.10 C ATOM 806 O GLN A 50 -17.719 -17.639 -2.038 1.00 44.33 O ATOM 807 CB GLN A 50 -18.823 -17.122 0.582 1.00 13.13 C ATOM 808 CG GLN A 50 -18.779 -17.337 2.095 1.00 42.21 C ATOM 809 CD GLN A 50 -18.877 -15.986 2.806 1.00 61.43 C ATOM 810 OE1 GLN A 50 -19.924 -15.625 3.308 1.00 33.34 O ATOM 811 NE2 GLN A 50 -17.822 -15.220 2.873 1.00 0.42 N ATOM 0 H GLN A 50 -18.460 -15.048 -0.966 1.00 43.02 H new ATOM 0 HA GLN A 50 -16.704 -16.697 0.876 1.00 2.44 H new ATOM 0 HB2 GLN A 50 -19.607 -16.409 0.328 1.00 13.13 H new ATOM 0 HB3 GLN A 50 -19.066 -18.057 0.078 1.00 13.13 H new ATOM 0 HG2 GLN A 50 -19.600 -17.983 2.405 1.00 42.21 H new ATOM 0 HG3 GLN A 50 -17.854 -17.841 2.375 1.00 42.21 H new ATOM 0 HE21 GLN A 50 -16.944 -15.523 2.452 1.00 0.42 H new ATOM 0 HE22 GLN A 50 -17.876 -14.318 3.347 1.00 0.42 H new ATOM 820 N PRO A 51 -15.732 -17.798 -1.047 1.00 5.03 N ATOM 821 CA PRO A 51 -15.129 -18.579 -2.155 1.00 42.20 C ATOM 822 C PRO A 51 -15.712 -19.993 -2.183 1.00 34.00 C ATOM 823 O PRO A 51 -16.253 -20.472 -1.206 1.00 4.32 O ATOM 824 CB PRO A 51 -13.643 -18.601 -1.811 1.00 13.32 C ATOM 825 CG PRO A 51 -13.587 -18.403 -0.330 1.00 72.50 C ATOM 826 CD PRO A 51 -14.779 -17.559 0.042 1.00 51.00 C ATOM 0 HA PRO A 51 -15.322 -18.153 -3.140 1.00 42.20 H new ATOM 0 HB2 PRO A 51 -13.185 -19.547 -2.101 1.00 13.32 H new ATOM 0 HB3 PRO A 51 -13.104 -17.812 -2.336 1.00 13.32 H new ATOM 0 HG2 PRO A 51 -13.614 -19.361 0.189 1.00 72.50 H new ATOM 0 HG3 PRO A 51 -12.659 -17.910 -0.041 1.00 72.50 H new ATOM 0 HD2 PRO A 51 -15.192 -17.854 1.007 1.00 51.00 H new ATOM 0 HD3 PRO A 51 -14.514 -16.504 0.117 1.00 51.00 H new ATOM 834 N GLN A 52 -15.606 -20.663 -3.295 1.00 15.24 N ATOM 835 CA GLN A 52 -16.157 -22.043 -3.385 1.00 31.31 C ATOM 836 C GLN A 52 -15.118 -22.987 -3.997 1.00 43.32 C ATOM 837 O GLN A 52 -14.124 -22.557 -4.547 1.00 62.44 O ATOM 838 CB GLN A 52 -17.378 -21.922 -4.297 1.00 2.42 C ATOM 839 CG GLN A 52 -18.317 -20.841 -3.755 1.00 10.11 C ATOM 840 CD GLN A 52 -18.587 -21.096 -2.272 1.00 32.44 C ATOM 841 OE1 GLN A 52 -18.598 -22.225 -1.828 1.00 15.11 O ATOM 842 NE2 GLN A 52 -18.803 -20.081 -1.480 1.00 51.14 N ATOM 0 H GLN A 52 -15.162 -20.315 -4.145 1.00 15.24 H new ATOM 0 HA GLN A 52 -16.418 -22.450 -2.408 1.00 31.31 H new ATOM 0 HB2 GLN A 52 -17.064 -21.671 -5.310 1.00 2.42 H new ATOM 0 HB3 GLN A 52 -17.900 -22.877 -4.352 1.00 2.42 H new ATOM 0 HG2 GLN A 52 -17.871 -19.856 -3.890 1.00 10.11 H new ATOM 0 HG3 GLN A 52 -19.254 -20.846 -4.312 1.00 10.11 H new ATOM 0 HE21 GLN A 52 -18.794 -19.132 -1.853 1.00 51.14 H new ATOM 0 HE22 GLN A 52 -18.981 -20.237 -0.488 1.00 51.14 H new ATOM 851 N LEU A 53 -15.342 -24.266 -3.906 1.00 44.22 N ATOM 852 CA LEU A 53 -14.368 -25.236 -4.482 1.00 72.34 C ATOM 853 C LEU A 53 -14.787 -25.618 -5.902 1.00 42.00 C ATOM 854 O LEU A 53 -15.690 -26.407 -6.103 1.00 32.25 O ATOM 855 CB LEU A 53 -14.427 -26.451 -3.555 1.00 1.00 C ATOM 856 CG LEU A 53 -13.103 -27.212 -3.617 1.00 61.10 C ATOM 857 CD1 LEU A 53 -12.919 -27.803 -5.015 1.00 44.43 C ATOM 858 CD2 LEU A 53 -11.949 -26.250 -3.315 1.00 13.11 C ATOM 0 H LEU A 53 -16.157 -24.684 -3.458 1.00 44.22 H new ATOM 0 HA LEU A 53 -13.360 -24.826 -4.549 1.00 72.34 H new ATOM 0 HB2 LEU A 53 -14.626 -26.131 -2.532 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -15.248 -27.105 -3.849 1.00 1.00 H new ATOM 0 HG LEU A 53 -13.111 -28.016 -2.881 1.00 61.10 H new ATOM 0 HD11 LEU A 53 -11.975 -28.346 -5.059 1.00 44.43 H new ATOM 0 HD12 LEU A 53 -13.740 -28.486 -5.232 1.00 44.43 H new ATOM 0 HD13 LEU A 53 -12.910 -26.999 -5.751 1.00 44.43 H new ATOM 0 HD21 LEU A 53 -11.004 -26.791 -3.359 1.00 13.11 H new ATOM 0 HD22 LEU A 53 -11.942 -25.447 -4.052 1.00 13.11 H new ATOM 0 HD23 LEU A 53 -12.079 -25.827 -2.319 1.00 13.11 H new ATOM 870 N ALA A 54 -14.140 -25.063 -6.891 1.00 22.02 N ATOM 871 CA ALA A 54 -14.506 -25.393 -8.299 1.00 63.20 C ATOM 872 C ALA A 54 -13.545 -26.441 -8.868 1.00 34.42 C ATOM 873 O ALA A 54 -13.956 -27.396 -9.496 1.00 43.30 O ATOM 874 CB ALA A 54 -14.373 -24.075 -9.060 1.00 63.53 C ATOM 0 H ALA A 54 -13.375 -24.396 -6.786 1.00 22.02 H new ATOM 0 HA ALA A 54 -15.510 -25.811 -8.377 1.00 63.20 H new ATOM 0 HB1 ALA A 54 -14.626 -24.233 -10.108 1.00 63.53 H new ATOM 0 HB2 ALA A 54 -15.050 -23.337 -8.630 1.00 63.53 H new ATOM 0 HB3 ALA A 54 -13.347 -23.713 -8.985 1.00 63.53 H new ATOM 880 N MET A 55 -12.269 -26.267 -8.661 1.00 72.32 N ATOM 881 CA MET A 55 -11.290 -27.255 -9.199 1.00 71.21 C ATOM 882 C MET A 55 -10.101 -27.402 -8.244 1.00 23.15 C ATOM 883 O MET A 55 -9.570 -26.430 -7.745 1.00 25.35 O ATOM 884 CB MET A 55 -10.832 -26.672 -10.535 1.00 10.23 C ATOM 885 CG MET A 55 -11.124 -27.672 -11.655 1.00 55.22 C ATOM 886 SD MET A 55 -9.906 -27.469 -12.978 1.00 20.34 S ATOM 887 CE MET A 55 -10.640 -28.643 -14.145 1.00 11.24 C ATOM 0 H MET A 55 -11.862 -25.487 -8.145 1.00 72.32 H new ATOM 0 HA MET A 55 -11.728 -28.246 -9.314 1.00 71.21 H new ATOM 0 HB2 MET A 55 -11.347 -25.731 -10.729 1.00 10.23 H new ATOM 0 HB3 MET A 55 -9.765 -26.450 -10.500 1.00 10.23 H new ATOM 0 HG2 MET A 55 -11.089 -28.690 -11.267 1.00 55.22 H new ATOM 0 HG3 MET A 55 -12.130 -27.514 -12.045 1.00 55.22 H new ATOM 0 HE1 MET A 55 -10.038 -28.678 -15.053 1.00 11.24 H new ATOM 0 HE2 MET A 55 -10.672 -29.634 -13.692 1.00 11.24 H new ATOM 0 HE3 MET A 55 -11.652 -28.324 -14.393 1.00 11.24 H new ATOM 897 N ILE A 56 -9.679 -28.612 -7.993 1.00 32.33 N ATOM 898 CA ILE A 56 -8.517 -28.821 -7.079 1.00 64.11 C ATOM 899 C ILE A 56 -7.286 -29.237 -7.886 1.00 50.51 C ATOM 900 O ILE A 56 -7.350 -30.104 -8.733 1.00 44.14 O ATOM 901 CB ILE A 56 -8.942 -29.949 -6.141 1.00 14.43 C ATOM 902 CG1 ILE A 56 -10.057 -29.457 -5.215 1.00 44.33 C ATOM 903 CG2 ILE A 56 -7.740 -30.387 -5.300 1.00 42.32 C ATOM 904 CD1 ILE A 56 -10.859 -30.654 -4.700 1.00 51.32 C ATOM 0 H ILE A 56 -10.087 -29.463 -8.380 1.00 32.33 H new ATOM 0 HA ILE A 56 -8.255 -27.915 -6.532 1.00 64.11 H new ATOM 0 HB ILE A 56 -9.307 -30.791 -6.729 1.00 14.43 H new ATOM 0 HG12 ILE A 56 -9.631 -28.904 -4.378 1.00 44.33 H new ATOM 0 HG13 ILE A 56 -10.712 -28.770 -5.751 1.00 44.33 H new ATOM 0 HG21 ILE A 56 -8.039 -31.192 -4.629 1.00 42.32 H new ATOM 0 HG22 ILE A 56 -6.945 -30.739 -5.957 1.00 42.32 H new ATOM 0 HG23 ILE A 56 -7.379 -29.542 -4.714 1.00 42.32 H new ATOM 0 HD11 ILE A 56 -11.653 -30.303 -4.041 1.00 51.32 H new ATOM 0 HD12 ILE A 56 -11.297 -31.188 -5.543 1.00 51.32 H new ATOM 0 HD13 ILE A 56 -10.199 -31.324 -4.149 1.00 51.32 H new ATOM 916 N LEU A 57 -6.162 -28.627 -7.628 1.00 13.40 N ATOM 917 CA LEU A 57 -4.933 -28.997 -8.384 1.00 73.13 C ATOM 918 C LEU A 57 -4.018 -29.865 -7.509 1.00 4.42 C ATOM 919 O LEU A 57 -3.562 -29.433 -6.470 1.00 54.30 O ATOM 920 CB LEU A 57 -4.261 -27.666 -8.718 1.00 43.14 C ATOM 921 CG LEU A 57 -2.890 -27.928 -9.341 1.00 21.14 C ATOM 922 CD1 LEU A 57 -2.963 -27.701 -10.854 1.00 0.45 C ATOM 923 CD2 LEU A 57 -1.867 -26.969 -8.734 1.00 30.53 C ATOM 0 H LEU A 57 -6.042 -27.893 -6.931 1.00 13.40 H new ATOM 0 HA LEU A 57 -5.153 -29.576 -9.281 1.00 73.13 H new ATOM 0 HB2 LEU A 57 -4.883 -27.096 -9.408 1.00 43.14 H new ATOM 0 HB3 LEU A 57 -4.153 -27.065 -7.815 1.00 43.14 H new ATOM 0 HG LEU A 57 -2.591 -28.957 -9.142 1.00 21.14 H new ATOM 0 HD11 LEU A 57 -1.985 -27.888 -11.298 1.00 0.45 H new ATOM 0 HD12 LEU A 57 -3.695 -28.381 -11.289 1.00 0.45 H new ATOM 0 HD13 LEU A 57 -3.261 -26.672 -11.054 1.00 0.45 H new ATOM 0 HD21 LEU A 57 -0.888 -27.154 -9.176 1.00 30.53 H new ATOM 0 HD22 LEU A 57 -2.168 -25.941 -8.935 1.00 30.53 H new ATOM 0 HD23 LEU A 57 -1.814 -27.128 -7.657 1.00 30.53 H new ATOM 935 N PRO A 58 -3.788 -31.068 -7.964 1.00 74.33 N ATOM 936 CA PRO A 58 -2.923 -32.015 -7.220 1.00 33.54 C ATOM 937 C PRO A 58 -1.449 -31.632 -7.371 1.00 2.13 C ATOM 938 O PRO A 58 -1.111 -30.646 -7.997 1.00 41.31 O ATOM 939 CB PRO A 58 -3.199 -33.356 -7.892 1.00 34.34 C ATOM 940 CG PRO A 58 -3.658 -33.011 -9.275 1.00 60.24 C ATOM 941 CD PRO A 58 -4.309 -31.654 -9.204 1.00 63.10 C ATOM 0 HA PRO A 58 -3.127 -32.025 -6.149 1.00 33.54 H new ATOM 0 HB2 PRO A 58 -2.303 -33.976 -7.917 1.00 34.34 H new ATOM 0 HB3 PRO A 58 -3.961 -33.918 -7.352 1.00 34.34 H new ATOM 0 HG2 PRO A 58 -2.816 -32.998 -9.967 1.00 60.24 H new ATOM 0 HG3 PRO A 58 -4.362 -33.757 -9.644 1.00 60.24 H new ATOM 0 HD2 PRO A 58 -4.053 -31.044 -10.071 1.00 63.10 H new ATOM 0 HD3 PRO A 58 -5.396 -31.735 -9.180 1.00 63.10 H new ATOM 949 N LEU A 59 -0.567 -32.409 -6.803 1.00 51.33 N ATOM 950 CA LEU A 59 0.889 -32.097 -6.915 1.00 10.23 C ATOM 951 C LEU A 59 1.610 -33.203 -7.687 1.00 2.44 C ATOM 952 O LEU A 59 2.631 -33.708 -7.267 1.00 60.05 O ATOM 953 CB LEU A 59 1.396 -32.055 -5.481 1.00 40.21 C ATOM 954 CG LEU A 59 1.228 -33.436 -4.844 1.00 61.44 C ATOM 955 CD1 LEU A 59 2.416 -33.722 -3.923 1.00 51.13 C ATOM 956 CD2 LEU A 59 -0.066 -33.468 -4.028 1.00 60.00 C ATOM 0 H LEU A 59 -0.791 -33.247 -6.266 1.00 51.33 H new ATOM 0 HA LEU A 59 1.065 -31.161 -7.445 1.00 10.23 H new ATOM 0 HB2 LEU A 59 2.445 -31.759 -5.463 1.00 40.21 H new ATOM 0 HB3 LEU A 59 0.844 -31.309 -4.910 1.00 40.21 H new ATOM 0 HG LEU A 59 1.184 -34.193 -5.627 1.00 61.44 H new ATOM 0 HD11 LEU A 59 2.296 -34.706 -3.469 1.00 51.13 H new ATOM 0 HD12 LEU A 59 3.339 -33.700 -4.502 1.00 51.13 H new ATOM 0 HD13 LEU A 59 2.460 -32.965 -3.140 1.00 51.13 H new ATOM 0 HD21 LEU A 59 -0.186 -34.452 -3.574 1.00 60.00 H new ATOM 0 HD22 LEU A 59 -0.022 -32.710 -3.246 1.00 60.00 H new ATOM 0 HD23 LEU A 59 -0.914 -33.265 -4.682 1.00 60.00 H new ATOM 1090 N ASN A 67 -6.455 -19.361 -16.687 1.00 3.24 N ATOM 1091 CA ASN A 67 -6.980 -18.258 -15.830 1.00 22.11 C ATOM 1092 C ASN A 67 -5.817 -17.496 -15.190 1.00 42.44 C ATOM 1093 O ASN A 67 -5.586 -16.338 -15.477 1.00 51.50 O ATOM 1094 CB ASN A 67 -7.823 -18.944 -14.746 1.00 33.02 C ATOM 1095 CG ASN A 67 -8.578 -20.135 -15.344 1.00 44.52 C ATOM 1096 OD1 ASN A 67 -9.327 -19.984 -16.290 1.00 55.21 O ATOM 1097 ND2 ASN A 67 -8.411 -21.323 -14.828 1.00 73.42 N ATOM 0 HA ASN A 67 -7.567 -17.540 -16.404 1.00 22.11 H new ATOM 0 HB2 ASN A 67 -7.180 -19.282 -13.933 1.00 33.02 H new ATOM 0 HB3 ASN A 67 -8.530 -18.232 -14.319 1.00 33.02 H new ATOM 0 HD21 ASN A 67 -8.909 -22.123 -15.219 1.00 73.42 H new ATOM 0 HD22 ASN A 67 -7.783 -21.451 -14.035 1.00 73.42 H new ATOM 1104 N ALA A 68 -5.082 -18.138 -14.324 1.00 41.30 N ATOM 1105 CA ALA A 68 -3.935 -17.454 -13.663 1.00 53.31 C ATOM 1106 C ALA A 68 -2.663 -18.290 -13.815 1.00 53.04 C ATOM 1107 O ALA A 68 -2.716 -19.485 -14.026 1.00 43.30 O ATOM 1108 CB ALA A 68 -4.334 -17.348 -12.190 1.00 45.32 C ATOM 0 H ALA A 68 -5.227 -19.108 -14.045 1.00 41.30 H new ATOM 0 HA ALA A 68 -3.727 -16.478 -14.101 1.00 53.31 H new ATOM 0 HB1 ALA A 68 -3.539 -16.854 -11.632 1.00 45.32 H new ATOM 0 HB2 ALA A 68 -5.253 -16.768 -12.103 1.00 45.32 H new ATOM 0 HB3 ALA A 68 -4.495 -18.347 -11.784 1.00 45.32 H new ATOM 1114 N ASP A 69 -1.519 -17.674 -13.702 1.00 74.42 N ATOM 1115 CA ASP A 69 -0.252 -18.442 -13.835 1.00 31.42 C ATOM 1116 C ASP A 69 0.083 -19.122 -12.508 1.00 55.31 C ATOM 1117 O ASP A 69 0.429 -18.479 -11.537 1.00 42.51 O ATOM 1118 CB ASP A 69 0.809 -17.400 -14.193 1.00 53.44 C ATOM 1119 CG ASP A 69 0.377 -16.644 -15.449 1.00 60.12 C ATOM 1120 OD1 ASP A 69 -0.709 -16.087 -15.437 1.00 64.01 O ATOM 1121 OD2 ASP A 69 1.138 -16.634 -16.403 1.00 31.44 O ATOM 0 H ASP A 69 -1.408 -16.676 -13.524 1.00 74.42 H new ATOM 0 HA ASP A 69 -0.316 -19.226 -14.589 1.00 31.42 H new ATOM 0 HB2 ASP A 69 0.944 -16.704 -13.365 1.00 53.44 H new ATOM 0 HB3 ASP A 69 1.770 -17.887 -14.361 1.00 53.44 H new ATOM 1126 N ILE A 70 -0.021 -20.420 -12.462 1.00 14.40 N ATOM 1127 CA ILE A 70 0.286 -21.152 -11.199 1.00 54.31 C ATOM 1128 C ILE A 70 1.692 -20.790 -10.702 1.00 2.24 C ATOM 1129 O ILE A 70 1.981 -20.856 -9.524 1.00 21.33 O ATOM 1130 CB ILE A 70 0.171 -22.645 -11.572 1.00 52.54 C ATOM 1131 CG1 ILE A 70 -0.506 -23.400 -10.424 1.00 24.32 C ATOM 1132 CG2 ILE A 70 1.555 -23.254 -11.833 1.00 74.05 C ATOM 1133 CD1 ILE A 70 0.256 -23.148 -9.123 1.00 34.30 C ATOM 0 H ILE A 70 -0.306 -21.008 -13.245 1.00 14.40 H new ATOM 0 HA ILE A 70 -0.391 -20.895 -10.385 1.00 54.31 H new ATOM 0 HB ILE A 70 -0.422 -22.731 -12.483 1.00 52.54 H new ATOM 0 HG12 ILE A 70 -1.540 -23.073 -10.320 1.00 24.32 H new ATOM 0 HG13 ILE A 70 -0.530 -24.468 -10.642 1.00 24.32 H new ATOM 0 HG21 ILE A 70 1.446 -24.307 -12.094 1.00 74.05 H new ATOM 0 HG22 ILE A 70 2.036 -22.724 -12.655 1.00 74.05 H new ATOM 0 HG23 ILE A 70 2.167 -23.164 -10.936 1.00 74.05 H new ATOM 0 HD11 ILE A 70 -0.228 -23.686 -8.308 1.00 34.30 H new ATOM 0 HD12 ILE A 70 1.283 -23.497 -9.229 1.00 34.30 H new ATOM 0 HD13 ILE A 70 0.257 -22.080 -8.903 1.00 34.30 H new ATOM 1145 N GLU A 71 2.566 -20.403 -11.593 1.00 11.42 N ATOM 1146 CA GLU A 71 3.948 -20.036 -11.169 1.00 22.14 C ATOM 1147 C GLU A 71 3.921 -18.716 -10.394 1.00 3.31 C ATOM 1148 O GLU A 71 4.513 -18.592 -9.340 1.00 3.50 O ATOM 1149 CB GLU A 71 4.735 -19.874 -12.469 1.00 15.45 C ATOM 1150 CG GLU A 71 4.959 -21.250 -13.105 1.00 54.52 C ATOM 1151 CD GLU A 71 6.460 -21.513 -13.234 1.00 33.05 C ATOM 1152 OE1 GLU A 71 7.157 -20.631 -13.709 1.00 71.40 O ATOM 1153 OE2 GLU A 71 6.886 -22.592 -12.859 1.00 73.44 O ATOM 0 H GLU A 71 2.383 -20.325 -12.593 1.00 11.42 H new ATOM 0 HA GLU A 71 4.394 -20.786 -10.516 1.00 22.14 H new ATOM 0 HB2 GLU A 71 4.191 -19.227 -13.158 1.00 15.45 H new ATOM 0 HB3 GLU A 71 5.693 -19.393 -12.269 1.00 15.45 H new ATOM 0 HG2 GLU A 71 4.494 -22.025 -12.495 1.00 54.52 H new ATOM 0 HG3 GLU A 71 4.486 -21.290 -14.086 1.00 54.52 H new ATOM 1160 N LYS A 72 3.234 -17.733 -10.906 1.00 61.50 N ATOM 1161 CA LYS A 72 3.168 -16.425 -10.195 1.00 23.43 C ATOM 1162 C LYS A 72 2.446 -16.595 -8.857 1.00 24.32 C ATOM 1163 O LYS A 72 2.552 -15.770 -7.973 1.00 71.42 O ATOM 1164 CB LYS A 72 2.370 -15.506 -11.121 1.00 21.15 C ATOM 1165 CG LYS A 72 3.332 -14.672 -11.970 1.00 53.12 C ATOM 1166 CD LYS A 72 4.120 -13.718 -11.067 1.00 2.43 C ATOM 1167 CE LYS A 72 3.147 -12.849 -10.271 1.00 44.24 C ATOM 1168 NZ LYS A 72 3.974 -11.728 -9.749 1.00 31.23 N ATOM 0 H LYS A 72 2.716 -17.778 -11.784 1.00 61.50 H new ATOM 0 HA LYS A 72 4.157 -16.021 -9.978 1.00 23.43 H new ATOM 0 HB2 LYS A 72 1.720 -16.098 -11.765 1.00 21.15 H new ATOM 0 HB3 LYS A 72 1.726 -14.851 -10.534 1.00 21.15 H new ATOM 0 HG2 LYS A 72 4.017 -15.326 -12.510 1.00 53.12 H new ATOM 0 HG3 LYS A 72 2.776 -14.106 -12.717 1.00 53.12 H new ATOM 0 HD2 LYS A 72 4.756 -14.286 -10.388 1.00 2.43 H new ATOM 0 HD3 LYS A 72 4.777 -13.090 -11.669 1.00 2.43 H new ATOM 0 HE2 LYS A 72 2.338 -12.482 -10.902 1.00 44.24 H new ATOM 0 HE3 LYS A 72 2.688 -13.412 -9.459 1.00 44.24 H new ATOM 0 HZ1 LYS A 72 3.376 -11.086 -9.190 1.00 31.23 H new ATOM 0 HZ2 LYS A 72 4.732 -12.107 -9.146 1.00 31.23 H new ATOM 0 HZ3 LYS A 72 4.393 -11.206 -10.545 1.00 31.23 H new ATOM 1182 N VAL A 73 1.717 -17.663 -8.703 1.00 4.40 N ATOM 1183 CA VAL A 73 0.990 -17.892 -7.421 1.00 10.12 C ATOM 1184 C VAL A 73 1.937 -18.498 -6.383 1.00 21.04 C ATOM 1185 O VAL A 73 1.816 -18.245 -5.200 1.00 24.21 O ATOM 1186 CB VAL A 73 -0.126 -18.876 -7.768 1.00 31.23 C ATOM 1187 CG1 VAL A 73 -1.050 -19.049 -6.563 1.00 44.41 C ATOM 1188 CG2 VAL A 73 -0.931 -18.333 -8.951 1.00 2.44 C ATOM 0 H VAL A 73 1.592 -18.389 -9.409 1.00 4.40 H new ATOM 0 HA VAL A 73 0.598 -16.968 -6.995 1.00 10.12 H new ATOM 0 HB VAL A 73 0.309 -19.840 -8.032 1.00 31.23 H new ATOM 0 HG11 VAL A 73 -1.845 -19.751 -6.812 1.00 44.41 H new ATOM 0 HG12 VAL A 73 -0.478 -19.433 -5.718 1.00 44.41 H new ATOM 0 HG13 VAL A 73 -1.486 -18.086 -6.298 1.00 44.41 H new ATOM 0 HG21 VAL A 73 -1.728 -19.033 -9.201 1.00 2.44 H new ATOM 0 HG22 VAL A 73 -1.365 -17.369 -8.684 1.00 2.44 H new ATOM 0 HG23 VAL A 73 -0.274 -18.209 -9.812 1.00 2.44 H new ATOM 1198 N LYS A 74 2.879 -19.290 -6.813 1.00 62.43 N ATOM 1199 CA LYS A 74 3.832 -19.903 -5.844 1.00 52.33 C ATOM 1200 C LYS A 74 4.413 -18.817 -4.935 1.00 15.42 C ATOM 1201 O LYS A 74 4.377 -18.921 -3.726 1.00 73.01 O ATOM 1202 CB LYS A 74 4.931 -20.533 -6.701 1.00 73.11 C ATOM 1203 CG LYS A 74 4.325 -21.602 -7.612 1.00 15.43 C ATOM 1204 CD LYS A 74 4.214 -22.924 -6.849 1.00 10.44 C ATOM 1205 CE LYS A 74 2.742 -23.321 -6.730 1.00 22.53 C ATOM 1206 NZ LYS A 74 2.730 -24.489 -5.805 1.00 21.11 N ATOM 0 H LYS A 74 3.031 -19.539 -7.790 1.00 62.43 H new ATOM 0 HA LYS A 74 3.353 -20.642 -5.201 1.00 52.33 H new ATOM 0 HB2 LYS A 74 5.422 -19.767 -7.300 1.00 73.11 H new ATOM 0 HB3 LYS A 74 5.695 -20.976 -6.062 1.00 73.11 H new ATOM 0 HG2 LYS A 74 3.340 -21.285 -7.956 1.00 15.43 H new ATOM 0 HG3 LYS A 74 4.946 -21.733 -8.498 1.00 15.43 H new ATOM 0 HD2 LYS A 74 4.771 -23.704 -7.368 1.00 10.44 H new ATOM 0 HD3 LYS A 74 4.656 -22.822 -5.858 1.00 10.44 H new ATOM 0 HE2 LYS A 74 2.143 -22.500 -6.337 1.00 22.53 H new ATOM 0 HE3 LYS A 74 2.324 -23.583 -7.702 1.00 22.53 H new ATOM 0 HZ1 LYS A 74 1.752 -24.818 -5.674 1.00 21.11 H new ATOM 0 HZ2 LYS A 74 3.303 -25.257 -6.209 1.00 21.11 H new ATOM 0 HZ3 LYS A 74 3.127 -24.208 -4.886 1.00 21.11 H new ATOM 1220 N GLN A 75 4.947 -17.773 -5.510 1.00 1.43 N ATOM 1221 CA GLN A 75 5.524 -16.679 -4.677 1.00 74.32 C ATOM 1222 C GLN A 75 4.436 -16.062 -3.796 1.00 31.11 C ATOM 1223 O GLN A 75 4.717 -15.384 -2.827 1.00 51.21 O ATOM 1224 CB GLN A 75 6.059 -15.652 -5.678 1.00 14.33 C ATOM 1225 CG GLN A 75 4.925 -15.197 -6.599 1.00 62.21 C ATOM 1226 CD GLN A 75 4.203 -14.005 -5.967 1.00 50.14 C ATOM 1227 OE1 GLN A 75 4.806 -12.982 -5.708 1.00 45.30 O ATOM 1228 NE2 GLN A 75 2.927 -14.094 -5.709 1.00 74.23 N ATOM 0 H GLN A 75 5.009 -17.631 -6.518 1.00 1.43 H new ATOM 0 HA GLN A 75 6.308 -17.036 -4.010 1.00 74.32 H new ATOM 0 HB2 GLN A 75 6.477 -14.796 -5.148 1.00 14.33 H new ATOM 0 HB3 GLN A 75 6.866 -16.088 -6.266 1.00 14.33 H new ATOM 0 HG2 GLN A 75 5.324 -14.919 -7.575 1.00 62.21 H new ATOM 0 HG3 GLN A 75 4.224 -16.016 -6.763 1.00 62.21 H new ATOM 0 HE21 GLN A 75 2.421 -14.953 -5.927 1.00 74.23 H new ATOM 0 HE22 GLN A 75 2.435 -13.305 -5.290 1.00 74.23 H new ATOM 1237 N ALA A 76 3.197 -16.294 -4.124 1.00 1.03 N ATOM 1238 CA ALA A 76 2.088 -15.726 -3.304 1.00 63.31 C ATOM 1239 C ALA A 76 1.726 -16.691 -2.172 1.00 31.24 C ATOM 1240 O ALA A 76 1.532 -16.295 -1.041 1.00 32.40 O ATOM 1241 CB ALA A 76 0.913 -15.578 -4.271 1.00 11.34 C ATOM 0 H ALA A 76 2.902 -16.853 -4.925 1.00 1.03 H new ATOM 0 HA ALA A 76 2.360 -14.776 -2.844 1.00 63.31 H new ATOM 0 HB1 ALA A 76 0.055 -15.164 -3.741 1.00 11.34 H new ATOM 0 HB2 ALA A 76 1.193 -14.909 -5.085 1.00 11.34 H new ATOM 0 HB3 ALA A 76 0.651 -16.555 -4.678 1.00 11.34 H new ATOM 1247 N LEU A 77 1.639 -17.957 -2.474 1.00 55.42 N ATOM 1248 CA LEU A 77 1.292 -18.953 -1.420 1.00 13.03 C ATOM 1249 C LEU A 77 2.497 -19.190 -0.506 1.00 41.31 C ATOM 1250 O LEU A 77 2.354 -19.467 0.669 1.00 35.34 O ATOM 1251 CB LEU A 77 0.937 -20.229 -2.186 1.00 65.25 C ATOM 1252 CG LEU A 77 -0.105 -19.909 -3.261 1.00 50.54 C ATOM 1253 CD1 LEU A 77 -0.510 -21.195 -3.980 1.00 34.51 C ATOM 1254 CD2 LEU A 77 -1.335 -19.278 -2.605 1.00 5.13 C ATOM 0 H LEU A 77 1.793 -18.345 -3.405 1.00 55.42 H new ATOM 0 HA LEU A 77 0.472 -18.619 -0.784 1.00 13.03 H new ATOM 0 HB2 LEU A 77 1.831 -20.650 -2.646 1.00 65.25 H new ATOM 0 HB3 LEU A 77 0.547 -20.981 -1.500 1.00 65.25 H new ATOM 0 HG LEU A 77 0.319 -19.211 -3.983 1.00 50.54 H new ATOM 0 HD11 LEU A 77 -1.252 -20.966 -4.745 1.00 34.51 H new ATOM 0 HD12 LEU A 77 0.367 -21.642 -4.448 1.00 34.51 H new ATOM 0 HD13 LEU A 77 -0.935 -21.896 -3.261 1.00 34.51 H new ATOM 0 HD21 LEU A 77 -2.078 -19.049 -3.369 1.00 5.13 H new ATOM 0 HD22 LEU A 77 -1.760 -19.975 -1.883 1.00 5.13 H new ATOM 0 HD23 LEU A 77 -1.045 -18.359 -2.095 1.00 5.13 H new ATOM 1266 N THR A 78 3.683 -19.077 -1.036 1.00 52.12 N ATOM 1267 CA THR A 78 4.899 -19.290 -0.199 1.00 42.53 C ATOM 1268 C THR A 78 5.155 -18.059 0.676 1.00 13.54 C ATOM 1269 O THR A 78 5.670 -18.160 1.772 1.00 13.20 O ATOM 1270 CB THR A 78 6.038 -19.486 -1.200 1.00 60.23 C ATOM 1271 OG1 THR A 78 7.174 -20.008 -0.527 1.00 2.45 O ATOM 1272 CG2 THR A 78 6.394 -18.144 -1.840 1.00 3.42 C ATOM 0 H THR A 78 3.864 -18.846 -2.013 1.00 52.12 H new ATOM 0 HA THR A 78 4.798 -20.143 0.473 1.00 42.53 H new ATOM 0 HB THR A 78 5.723 -20.184 -1.976 1.00 60.23 H new ATOM 0 HG1 THR A 78 7.904 -20.135 -1.168 1.00 2.45 H new ATOM 0 HG21 THR A 78 7.206 -18.285 -2.553 1.00 3.42 H new ATOM 0 HG22 THR A 78 5.522 -17.745 -2.358 1.00 3.42 H new ATOM 0 HG23 THR A 78 6.708 -17.444 -1.066 1.00 3.42 H new ATOM 1280 N GLU A 79 4.799 -16.898 0.197 1.00 24.54 N ATOM 1281 CA GLU A 79 5.019 -15.663 0.995 1.00 75.22 C ATOM 1282 C GLU A 79 3.751 -15.304 1.772 1.00 51.12 C ATOM 1283 O GLU A 79 3.791 -15.031 2.955 1.00 12.00 O ATOM 1284 CB GLU A 79 5.336 -14.579 -0.035 1.00 70.35 C ATOM 1285 CG GLU A 79 6.719 -14.835 -0.638 1.00 73.34 C ATOM 1286 CD GLU A 79 7.697 -13.771 -0.139 1.00 30.32 C ATOM 1287 OE1 GLU A 79 7.629 -13.434 1.033 1.00 34.31 O ATOM 1288 OE2 GLU A 79 8.500 -13.312 -0.934 1.00 2.23 O ATOM 0 H GLU A 79 4.365 -16.754 -0.715 1.00 24.54 H new ATOM 0 HA GLU A 79 5.819 -15.781 1.726 1.00 75.22 H new ATOM 0 HB2 GLU A 79 4.580 -14.577 -0.820 1.00 70.35 H new ATOM 0 HB3 GLU A 79 5.309 -13.596 0.436 1.00 70.35 H new ATOM 0 HG2 GLU A 79 7.071 -15.828 -0.358 1.00 73.34 H new ATOM 0 HG3 GLU A 79 6.663 -14.811 -1.726 1.00 73.34 H new ATOM 1295 N GLN A 80 2.625 -15.302 1.114 1.00 21.32 N ATOM 1296 CA GLN A 80 1.351 -14.960 1.808 1.00 30.53 C ATOM 1297 C GLN A 80 0.571 -16.241 2.107 1.00 61.22 C ATOM 1298 O GLN A 80 0.208 -16.514 3.232 1.00 64.14 O ATOM 1299 CB GLN A 80 0.558 -14.085 0.830 1.00 0.14 C ATOM 1300 CG GLN A 80 1.502 -13.175 0.032 1.00 5.32 C ATOM 1301 CD GLN A 80 0.745 -12.585 -1.160 1.00 41.22 C ATOM 1302 OE1 GLN A 80 0.752 -11.388 -1.366 1.00 41.21 O ATOM 1303 NE2 GLN A 80 0.090 -13.382 -1.959 1.00 63.51 N ATOM 0 H GLN A 80 2.532 -15.523 0.123 1.00 21.32 H new ATOM 0 HA GLN A 80 1.530 -14.444 2.751 1.00 30.53 H new ATOM 0 HB2 GLN A 80 -0.010 -14.717 0.147 1.00 0.14 H new ATOM 0 HB3 GLN A 80 -0.163 -13.479 1.378 1.00 0.14 H new ATOM 0 HG2 GLN A 80 1.881 -12.376 0.669 1.00 5.32 H new ATOM 0 HG3 GLN A 80 2.366 -13.742 -0.315 1.00 5.32 H new ATOM 0 HE21 GLN A 80 0.085 -14.387 -1.785 1.00 63.51 H new ATOM 0 HE22 GLN A 80 -0.417 -13.000 -2.758 1.00 63.51 H new ATOM 1312 N GLY A 81 0.313 -17.027 1.098 1.00 50.24 N ATOM 1313 CA GLY A 81 -0.442 -18.291 1.308 1.00 4.43 C ATOM 1314 C GLY A 81 -1.723 -18.267 0.472 1.00 70.24 C ATOM 1315 O GLY A 81 -2.505 -19.197 0.494 1.00 11.22 O ATOM 0 H GLY A 81 0.594 -16.846 0.134 1.00 50.24 H new ATOM 0 HA2 GLY A 81 0.173 -19.145 1.025 1.00 4.43 H new ATOM 0 HA3 GLY A 81 -0.686 -18.410 2.364 1.00 4.43 H new ATOM 1319 N TYR A 82 -1.946 -17.211 -0.261 1.00 60.32 N ATOM 1320 CA TYR A 82 -3.183 -17.131 -1.096 1.00 61.10 C ATOM 1321 C TYR A 82 -2.940 -16.220 -2.301 1.00 0.14 C ATOM 1322 O TYR A 82 -2.216 -15.248 -2.220 1.00 14.44 O ATOM 1323 CB TYR A 82 -4.275 -16.527 -0.195 1.00 54.12 C ATOM 1324 CG TYR A 82 -3.999 -16.830 1.263 1.00 0.52 C ATOM 1325 CD1 TYR A 82 -2.988 -16.139 1.943 1.00 45.02 C ATOM 1326 CD2 TYR A 82 -4.759 -17.797 1.933 1.00 44.12 C ATOM 1327 CE1 TYR A 82 -2.737 -16.415 3.292 1.00 43.11 C ATOM 1328 CE2 TYR A 82 -4.506 -18.074 3.283 1.00 63.41 C ATOM 1329 CZ TYR A 82 -3.496 -17.382 3.962 1.00 34.14 C ATOM 1330 OH TYR A 82 -3.248 -17.653 5.293 1.00 13.24 O ATOM 0 H TYR A 82 -1.329 -16.401 -0.319 1.00 60.32 H new ATOM 0 HA TYR A 82 -3.474 -18.112 -1.470 1.00 61.10 H new ATOM 0 HB2 TYR A 82 -4.320 -15.448 -0.344 1.00 54.12 H new ATOM 0 HB3 TYR A 82 -5.248 -16.929 -0.477 1.00 54.12 H new ATOM 0 HD1 TYR A 82 -2.402 -15.393 1.426 1.00 45.02 H new ATOM 0 HD2 TYR A 82 -5.540 -18.329 1.409 1.00 44.12 H new ATOM 0 HE1 TYR A 82 -1.958 -15.882 3.816 1.00 43.11 H new ATOM 0 HE2 TYR A 82 -5.090 -18.821 3.800 1.00 63.41 H new ATOM 0 HH TYR A 82 -3.825 -17.093 5.854 1.00 13.24 H new ATOM 1340 N TYR A 83 -3.546 -16.521 -3.415 1.00 2.03 N ATOM 1341 CA TYR A 83 -3.361 -15.666 -4.623 1.00 53.11 C ATOM 1342 C TYR A 83 -4.681 -15.545 -5.381 1.00 45.12 C ATOM 1343 O TYR A 83 -5.248 -16.526 -5.824 1.00 62.42 O ATOM 1344 CB TYR A 83 -2.318 -16.388 -5.474 1.00 23.41 C ATOM 1345 CG TYR A 83 -2.126 -15.637 -6.769 1.00 14.33 C ATOM 1346 CD1 TYR A 83 -3.136 -15.643 -7.738 1.00 22.41 C ATOM 1347 CD2 TYR A 83 -0.938 -14.932 -7.001 1.00 73.23 C ATOM 1348 CE1 TYR A 83 -2.960 -14.943 -8.937 1.00 12.33 C ATOM 1349 CE2 TYR A 83 -0.760 -14.233 -8.200 1.00 75.41 C ATOM 1350 CZ TYR A 83 -1.771 -14.239 -9.169 1.00 61.13 C ATOM 1351 OH TYR A 83 -1.596 -13.550 -10.351 1.00 64.31 O ATOM 0 H TYR A 83 -4.163 -17.323 -3.543 1.00 2.03 H new ATOM 0 HA TYR A 83 -3.041 -14.655 -4.368 1.00 53.11 H new ATOM 0 HB2 TYR A 83 -1.373 -16.453 -4.934 1.00 23.41 H new ATOM 0 HB3 TYR A 83 -2.641 -17.409 -5.677 1.00 23.41 H new ATOM 0 HD1 TYR A 83 -4.051 -16.188 -7.560 1.00 22.41 H new ATOM 0 HD2 TYR A 83 -0.158 -14.928 -6.254 1.00 73.23 H new ATOM 0 HE1 TYR A 83 -3.741 -14.945 -9.683 1.00 12.33 H new ATOM 0 HE2 TYR A 83 0.156 -13.689 -8.378 1.00 75.41 H new ATOM 0 HH TYR A 83 -0.717 -13.116 -10.350 1.00 64.31 H new ATOM 1361 N LEU A 84 -5.182 -14.351 -5.530 1.00 20.24 N ATOM 1362 CA LEU A 84 -6.470 -14.167 -6.256 1.00 50.32 C ATOM 1363 C LEU A 84 -6.210 -13.762 -7.707 1.00 2.35 C ATOM 1364 O LEU A 84 -5.465 -12.845 -7.980 1.00 33.41 O ATOM 1365 CB LEU A 84 -7.189 -13.043 -5.507 1.00 54.23 C ATOM 1366 CG LEU A 84 -8.440 -12.630 -6.282 1.00 42.21 C ATOM 1367 CD1 LEU A 84 -9.267 -13.872 -6.614 1.00 52.42 C ATOM 1368 CD2 LEU A 84 -9.277 -11.674 -5.427 1.00 73.04 C ATOM 0 H LEU A 84 -4.755 -13.493 -5.180 1.00 20.24 H new ATOM 0 HA LEU A 84 -7.060 -15.083 -6.285 1.00 50.32 H new ATOM 0 HB2 LEU A 84 -7.462 -13.376 -4.506 1.00 54.23 H new ATOM 0 HB3 LEU A 84 -6.524 -12.188 -5.388 1.00 54.23 H new ATOM 0 HG LEU A 84 -8.147 -12.131 -7.206 1.00 42.21 H new ATOM 0 HD11 LEU A 84 -10.159 -13.578 -7.167 1.00 52.42 H new ATOM 0 HD12 LEU A 84 -8.672 -14.554 -7.222 1.00 52.42 H new ATOM 0 HD13 LEU A 84 -9.560 -14.371 -5.691 1.00 52.42 H new ATOM 0 HD21 LEU A 84 -10.169 -11.379 -5.979 1.00 73.04 H new ATOM 0 HD22 LEU A 84 -9.570 -12.174 -4.504 1.00 73.04 H new ATOM 0 HD23 LEU A 84 -8.688 -10.788 -5.189 1.00 73.04 H new ATOM 1380 N GLN A 85 -6.826 -14.439 -8.638 1.00 53.53 N ATOM 1381 CA GLN A 85 -6.614 -14.082 -10.067 1.00 65.30 C ATOM 1382 C GLN A 85 -7.823 -13.302 -10.598 1.00 52.21 C ATOM 1383 O GLN A 85 -8.949 -13.764 -10.540 1.00 21.20 O ATOM 1384 CB GLN A 85 -6.451 -15.422 -10.796 1.00 60.35 C ATOM 1385 CG GLN A 85 -7.826 -16.046 -11.063 1.00 74.13 C ATOM 1386 CD GLN A 85 -8.397 -15.527 -12.388 1.00 30.41 C ATOM 1387 OE1 GLN A 85 -9.389 -16.038 -12.871 1.00 71.02 O ATOM 1388 NE2 GLN A 85 -7.821 -14.527 -13.005 1.00 32.34 N ATOM 0 H GLN A 85 -7.462 -15.218 -8.471 1.00 53.53 H new ATOM 0 HA GLN A 85 -5.743 -13.443 -10.214 1.00 65.30 H new ATOM 0 HB2 GLN A 85 -5.922 -15.271 -11.737 1.00 60.35 H new ATOM 0 HB3 GLN A 85 -5.845 -16.101 -10.195 1.00 60.35 H new ATOM 0 HG2 GLN A 85 -7.740 -17.132 -11.097 1.00 74.13 H new ATOM 0 HG3 GLN A 85 -8.507 -15.806 -10.247 1.00 74.13 H new ATOM 0 HE21 GLN A 85 -6.989 -14.093 -12.606 1.00 32.34 H new ATOM 0 HE22 GLN A 85 -8.205 -14.181 -13.885 1.00 32.34 H new ATOM 1397 N LEU A 86 -7.592 -12.124 -11.111 1.00 74.00 N ATOM 1398 CA LEU A 86 -8.714 -11.301 -11.649 1.00 15.01 C ATOM 1399 C LEU A 86 -8.346 -10.755 -13.034 1.00 24.44 C ATOM 1400 O LEU A 86 -7.377 -10.039 -13.180 1.00 22.10 O ATOM 1401 CB LEU A 86 -8.872 -10.155 -10.648 1.00 30.21 C ATOM 1402 CG LEU A 86 -10.310 -10.116 -10.130 1.00 1.44 C ATOM 1403 CD1 LEU A 86 -11.282 -10.207 -11.307 1.00 53.34 C ATOM 1404 CD2 LEU A 86 -10.544 -11.295 -9.183 1.00 62.11 C ATOM 0 H LEU A 86 -6.670 -11.694 -11.181 1.00 74.00 H new ATOM 0 HA LEU A 86 -9.634 -11.874 -11.765 1.00 15.01 H new ATOM 0 HB2 LEU A 86 -8.180 -10.288 -9.817 1.00 30.21 H new ATOM 0 HB3 LEU A 86 -8.621 -9.207 -11.124 1.00 30.21 H new ATOM 0 HG LEU A 86 -10.476 -9.181 -9.595 1.00 1.44 H new ATOM 0 HD11 LEU A 86 -12.306 -10.179 -10.936 1.00 53.34 H new ATOM 0 HD12 LEU A 86 -11.117 -9.366 -11.981 1.00 53.34 H new ATOM 0 HD13 LEU A 86 -11.116 -11.141 -11.844 1.00 53.34 H new ATOM 0 HD21 LEU A 86 -11.569 -11.267 -8.814 1.00 62.11 H new ATOM 0 HD22 LEU A 86 -10.376 -12.230 -9.718 1.00 62.11 H new ATOM 0 HD23 LEU A 86 -9.854 -11.229 -8.342 1.00 62.11 H new