USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 19 MET CE :methyl -132:sc= 0 (180deg=-0.75) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.0553 X(o=-0.055,f=0.33) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 141:sc= 0.716 (180deg=-0.00888) USER MOD Single : A 36 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.24) USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= -0.294 (180deg=-0.897) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 33:sc= -0.107 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 50:sc= 1.2 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00843 X(o=-0.0084,f=-0.069) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.04 K(o=-2,f=-3.8!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.607 F(o=-2.1,f=-0.61) USER MOD Single : A 75 TYR OH : rot 86:sc= 0.585 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= -0.0691 (180deg=-0.157) USER MOD Single : A 78 CYS SG : rot 75:sc= -2.68 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 12.513 -7.336 4.194 1.00 0.00 N ATOM 229 CA MET A 19 12.527 -6.448 3.038 1.00 0.00 C ATOM 230 C MET A 19 12.768 -5.005 3.466 1.00 0.00 C ATOM 231 O MET A 19 13.536 -4.278 2.835 1.00 0.00 O ATOM 232 CB MET A 19 11.207 -6.552 2.272 1.00 0.00 C ATOM 233 CG MET A 19 11.187 -7.670 1.243 1.00 0.00 C ATOM 234 SD MET A 19 11.190 -7.059 -0.454 1.00 0.00 S ATOM 235 CE MET A 19 10.640 -8.514 -1.341 1.00 0.00 C ATOM 0 HA MET A 19 13.343 -6.756 2.384 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.396 -6.709 2.983 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.012 -5.604 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.054 -8.312 1.394 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.302 -8.287 1.401 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.296 -8.690 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.669 -9.378 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.620 -8.362 -1.693 1.00 0.00 H new ATOM 245 N LEU A 20 12.109 -4.596 4.546 1.00 0.00 N ATOM 246 CA LEU A 20 12.255 -3.240 5.062 1.00 0.00 C ATOM 247 C LEU A 20 13.697 -2.973 5.482 1.00 0.00 C ATOM 248 O LEU A 20 14.229 -1.886 5.258 1.00 0.00 O ATOM 249 CB LEU A 20 11.316 -3.020 6.251 1.00 0.00 C ATOM 250 CG LEU A 20 9.828 -2.978 5.902 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.981 -3.165 7.151 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.480 -1.668 5.212 1.00 0.00 C ATOM 0 H LEU A 20 11.469 -5.184 5.080 1.00 0.00 H new ATOM 0 HA LEU A 20 11.991 -2.543 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.481 -3.816 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.586 -2.083 6.739 1.00 0.00 H new ATOM 0 HG LEU A 20 9.612 -3.797 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.925 -3.132 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.210 -4.129 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.200 -2.368 7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.417 -1.655 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.712 -0.835 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.061 -1.574 4.295 1.00 0.00 H new ATOM 264 N THR A 21 14.323 -3.975 6.089 1.00 0.00 N ATOM 265 CA THR A 21 15.705 -3.854 6.539 1.00 0.00 C ATOM 266 C THR A 21 16.665 -3.873 5.354 1.00 0.00 C ATOM 267 O THR A 21 17.679 -3.176 5.352 1.00 0.00 O ATOM 268 CB THR A 21 16.048 -4.987 7.507 1.00 0.00 C ATOM 269 OG1 THR A 21 15.132 -5.019 8.587 1.00 0.00 O ATOM 270 CG2 THR A 21 17.441 -4.876 8.090 1.00 0.00 C ATOM 0 H THR A 21 13.895 -4.881 6.281 1.00 0.00 H new ATOM 0 HA THR A 21 15.812 -2.900 7.055 1.00 0.00 H new ATOM 0 HB THR A 21 15.991 -5.900 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.367 -5.752 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.619 -5.711 8.768 1.00 0.00 H new ATOM 0 HG22 THR A 21 18.175 -4.899 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.533 -3.938 8.638 1.00 0.00 H new ATOM 278 N SER A 22 16.337 -4.676 4.348 1.00 0.00 N ATOM 279 CA SER A 22 17.169 -4.788 3.155 1.00 0.00 C ATOM 280 C SER A 22 17.016 -3.556 2.269 1.00 0.00 C ATOM 281 O SER A 22 18.001 -2.915 1.903 1.00 0.00 O ATOM 282 CB SER A 22 16.800 -6.045 2.367 1.00 0.00 C ATOM 283 OG SER A 22 17.746 -6.302 1.344 1.00 0.00 O ATOM 0 H SER A 22 15.500 -5.259 4.335 1.00 0.00 H new ATOM 0 HA SER A 22 18.209 -4.859 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.749 -6.899 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.809 -5.925 1.929 1.00 0.00 H new ATOM 0 HG SER A 22 17.488 -7.112 0.856 1.00 0.00 H new ATOM 289 N LEU A 23 15.774 -3.228 1.929 1.00 0.00 N ATOM 290 CA LEU A 23 15.491 -2.073 1.086 1.00 0.00 C ATOM 291 C LEU A 23 15.742 -0.773 1.844 1.00 0.00 C ATOM 292 O LEU A 23 16.227 0.205 1.276 1.00 0.00 O ATOM 293 CB LEU A 23 14.043 -2.117 0.592 1.00 0.00 C ATOM 294 CG LEU A 23 13.747 -3.201 -0.446 1.00 0.00 C ATOM 295 CD1 LEU A 23 12.257 -3.506 -0.488 1.00 0.00 C ATOM 296 CD2 LEU A 23 14.244 -2.775 -1.819 1.00 0.00 C ATOM 0 H LEU A 23 14.947 -3.746 2.225 1.00 0.00 H new ATOM 0 HA LEU A 23 16.161 -2.108 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.387 -2.267 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.791 -1.147 0.164 1.00 0.00 H new ATOM 0 HG LEU A 23 14.276 -4.109 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.065 -4.279 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.929 -3.855 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.708 -2.603 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.025 -3.558 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.744 -1.854 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.320 -2.607 -1.780 1.00 0.00 H new ATOM 308 N GLY A 24 15.407 -0.771 3.130 1.00 0.00 N ATOM 309 CA GLY A 24 15.603 0.414 3.946 1.00 0.00 C ATOM 310 C GLY A 24 14.360 1.277 4.024 1.00 0.00 C ATOM 311 O GLY A 24 14.343 2.399 3.518 1.00 0.00 O ATOM 0 H GLY A 24 15.003 -1.568 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.897 0.114 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.424 1.002 3.536 1.00 0.00 H new ATOM 315 N LEU A 25 13.316 0.752 4.657 1.00 0.00 N ATOM 316 CA LEU A 25 12.061 1.482 4.800 1.00 0.00 C ATOM 317 C LEU A 25 11.440 1.233 6.170 1.00 0.00 C ATOM 318 O LEU A 25 11.776 0.264 6.849 1.00 0.00 O ATOM 319 CB LEU A 25 11.080 1.073 3.700 1.00 0.00 C ATOM 320 CG LEU A 25 11.510 1.444 2.279 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.738 0.625 1.257 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.307 2.932 2.035 1.00 0.00 C ATOM 0 H LEU A 25 13.314 -0.176 5.079 1.00 0.00 H new ATOM 0 HA LEU A 25 12.276 2.546 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.932 -0.006 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.115 1.537 3.904 1.00 0.00 H new ATOM 0 HG LEU A 25 12.571 1.218 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.057 0.902 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.932 -0.435 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.671 0.820 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.617 3.180 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.254 3.181 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.904 3.502 2.747 1.00 0.00 H new ATOM 334 N LYS A 26 10.531 2.116 6.570 1.00 0.00 N ATOM 335 CA LYS A 26 9.862 1.992 7.861 1.00 0.00 C ATOM 336 C LYS A 26 8.411 2.456 7.768 1.00 0.00 C ATOM 337 O LYS A 26 8.068 3.293 6.933 1.00 0.00 O ATOM 338 CB LYS A 26 10.603 2.805 8.923 1.00 0.00 C ATOM 339 CG LYS A 26 10.310 2.356 10.346 1.00 0.00 C ATOM 340 CD LYS A 26 9.279 3.254 11.013 1.00 0.00 C ATOM 341 CE LYS A 26 8.712 2.613 12.269 1.00 0.00 C ATOM 342 NZ LYS A 26 7.354 3.131 12.593 1.00 0.00 N ATOM 0 H LYS A 26 10.241 2.924 6.020 1.00 0.00 H new ATOM 0 HA LYS A 26 9.871 0.940 8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.675 2.733 8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.332 3.856 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.947 1.328 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.232 2.364 10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.737 4.210 11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.470 3.463 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.666 1.532 12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.382 2.802 13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.758 2.352 12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.428 3.863 13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.926 3.541 11.739 1.00 0.00 H new ATOM 356 N LEU A 27 7.565 1.907 8.634 1.00 0.00 N ATOM 357 CA LEU A 27 6.151 2.264 8.651 1.00 0.00 C ATOM 358 C LEU A 27 5.968 3.748 8.952 1.00 0.00 C ATOM 359 O LEU A 27 6.173 4.191 10.083 1.00 0.00 O ATOM 360 CB LEU A 27 5.404 1.425 9.689 1.00 0.00 C ATOM 361 CG LEU A 27 5.163 -0.033 9.289 1.00 0.00 C ATOM 362 CD1 LEU A 27 5.471 -0.966 10.451 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.729 -0.225 8.814 1.00 0.00 C ATOM 0 H LEU A 27 7.834 1.214 9.332 1.00 0.00 H new ATOM 0 HA LEU A 27 5.738 2.059 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.968 1.442 10.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.441 1.895 9.890 1.00 0.00 H new ATOM 0 HG LEU A 27 5.834 -0.279 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.293 -1.997 10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.514 -0.849 10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.826 -0.721 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.575 -1.267 8.534 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.041 0.040 9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.543 0.414 7.951 1.00 0.00 H new ATOM 375 N GLY A 28 5.581 4.510 7.935 1.00 0.00 N ATOM 376 CA GLY A 28 5.377 5.937 8.112 1.00 0.00 C ATOM 377 C GLY A 28 6.248 6.766 7.190 1.00 0.00 C ATOM 378 O GLY A 28 5.879 7.878 6.810 1.00 0.00 O ATOM 0 H GLY A 28 5.405 4.166 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.329 6.176 7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.590 6.206 9.147 1.00 0.00 H new ATOM 382 N ASP A 29 7.408 6.226 6.829 1.00 0.00 N ATOM 383 CA ASP A 29 8.334 6.924 5.945 1.00 0.00 C ATOM 384 C ASP A 29 7.734 7.095 4.553 1.00 0.00 C ATOM 385 O ASP A 29 6.791 6.395 4.181 1.00 0.00 O ATOM 386 CB ASP A 29 9.657 6.162 5.853 1.00 0.00 C ATOM 387 CG ASP A 29 10.609 6.519 6.979 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.865 7.725 7.179 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.098 5.593 7.658 1.00 0.00 O ATOM 0 H ASP A 29 7.729 5.307 7.135 1.00 0.00 H new ATOM 0 HA ASP A 29 8.521 7.913 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.458 5.090 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.132 6.379 4.896 1.00 0.00 H new ATOM 394 N ARG A 30 8.288 8.030 3.787 1.00 0.00 N ATOM 395 CA ARG A 30 7.809 8.293 2.435 1.00 0.00 C ATOM 396 C ARG A 30 8.410 7.304 1.444 1.00 0.00 C ATOM 397 O ARG A 30 9.631 7.203 1.314 1.00 0.00 O ATOM 398 CB ARG A 30 8.154 9.725 2.021 1.00 0.00 C ATOM 399 CG ARG A 30 7.037 10.721 2.289 1.00 0.00 C ATOM 400 CD ARG A 30 5.997 10.705 1.180 1.00 0.00 C ATOM 401 NE ARG A 30 4.840 11.537 1.503 1.00 0.00 N ATOM 402 CZ ARG A 30 3.940 11.935 0.608 1.00 0.00 C ATOM 403 NH1 ARG A 30 4.059 11.584 -0.666 1.00 0.00 N ATOM 404 NH2 ARG A 30 2.916 12.689 0.988 1.00 0.00 N ATOM 0 H ARG A 30 9.069 8.618 4.080 1.00 0.00 H new ATOM 0 HA ARG A 30 6.726 8.171 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.049 10.043 2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.395 9.739 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.559 10.486 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.456 11.723 2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.450 11.058 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.669 9.680 1.005 1.00 0.00 H new ATOM 0 HE ARG A 30 4.715 11.830 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.844 11.005 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.365 11.893 -1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.820 12.963 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.226 12.995 0.302 1.00 0.00 H new ATOM 418 N VAL A 31 7.546 6.574 0.744 1.00 0.00 N ATOM 419 CA VAL A 31 7.991 5.593 -0.236 1.00 0.00 C ATOM 420 C VAL A 31 7.601 6.010 -1.649 1.00 0.00 C ATOM 421 O VAL A 31 6.891 6.996 -1.842 1.00 0.00 O ATOM 422 CB VAL A 31 7.403 4.200 0.056 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.950 3.652 1.365 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.883 4.260 0.090 1.00 0.00 C ATOM 0 H VAL A 31 6.533 6.645 0.839 1.00 0.00 H new ATOM 0 HA VAL A 31 9.077 5.544 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 31 7.701 3.525 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.523 2.667 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.035 3.571 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.685 4.325 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.484 3.267 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.563 4.950 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.511 4.606 -0.874 1.00 0.00 H new ATOM 434 N VAL A 32 8.069 5.251 -2.636 1.00 0.00 N ATOM 435 CA VAL A 32 7.769 5.542 -4.032 1.00 0.00 C ATOM 436 C VAL A 32 7.505 4.260 -4.816 1.00 0.00 C ATOM 437 O VAL A 32 8.316 3.334 -4.800 1.00 0.00 O ATOM 438 CB VAL A 32 8.918 6.320 -4.704 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.200 5.501 -4.694 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.540 6.716 -6.123 1.00 0.00 C ATOM 0 H VAL A 32 8.657 4.430 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 32 6.871 6.160 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 32 9.094 7.231 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.998 6.068 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.481 5.277 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.041 4.569 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.364 7.264 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.332 5.820 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.652 7.348 -6.100 1.00 0.00 H new ATOM 450 N ILE A 33 6.366 4.214 -5.499 1.00 0.00 N ATOM 451 CA ILE A 33 5.996 3.045 -6.289 1.00 0.00 C ATOM 452 C ILE A 33 6.719 3.038 -7.631 1.00 0.00 C ATOM 453 O ILE A 33 6.408 3.832 -8.519 1.00 0.00 O ATOM 454 CB ILE A 33 4.476 2.992 -6.536 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.716 3.204 -5.226 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.089 1.666 -7.172 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.236 3.454 -5.419 1.00 0.00 C ATOM 0 H ILE A 33 5.684 4.972 -5.522 1.00 0.00 H new ATOM 0 HA ILE A 33 6.293 2.168 -5.715 1.00 0.00 H new ATOM 0 HB ILE A 33 4.206 3.794 -7.223 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.848 2.327 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.153 4.050 -4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.012 1.644 -7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.608 1.554 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.369 0.848 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.761 3.595 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.094 4.348 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.785 2.599 -5.922 1.00 0.00 H new ATOM 469 N ALA A 34 7.685 2.136 -7.772 1.00 0.00 N ATOM 470 CA ALA A 34 8.452 2.026 -9.007 1.00 0.00 C ATOM 471 C ALA A 34 9.167 3.334 -9.327 1.00 0.00 C ATOM 472 O ALA A 34 9.384 3.665 -10.493 1.00 0.00 O ATOM 473 CB ALA A 34 7.544 1.624 -10.159 1.00 0.00 C ATOM 0 H ALA A 34 7.955 1.471 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 34 9.208 1.253 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.131 1.546 -11.074 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.083 0.661 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.767 2.377 -10.289 1.00 0.00 H new ATOM 479 N GLY A 35 9.532 4.074 -8.285 1.00 0.00 N ATOM 480 CA GLY A 35 10.217 5.338 -8.477 1.00 0.00 C ATOM 481 C GLY A 35 9.404 6.319 -9.300 1.00 0.00 C ATOM 482 O GLY A 35 9.962 7.172 -9.989 1.00 0.00 O ATOM 0 H GLY A 35 9.365 3.820 -7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.438 5.779 -7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.172 5.159 -8.970 1.00 0.00 H new ATOM 486 N GLN A 36 8.083 6.193 -9.229 1.00 0.00 N ATOM 487 CA GLN A 36 7.190 7.074 -9.974 1.00 0.00 C ATOM 488 C GLN A 36 6.188 7.748 -9.042 1.00 0.00 C ATOM 489 O GLN A 36 6.245 8.957 -8.822 1.00 0.00 O ATOM 490 CB GLN A 36 6.449 6.286 -11.056 1.00 0.00 C ATOM 491 CG GLN A 36 7.297 5.995 -12.283 1.00 0.00 C ATOM 492 CD GLN A 36 6.961 6.900 -13.451 1.00 0.00 C ATOM 493 OE1 GLN A 36 5.796 7.052 -13.819 1.00 0.00 O ATOM 494 NE2 GLN A 36 7.983 7.508 -14.042 1.00 0.00 N ATOM 0 H GLN A 36 7.607 5.490 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 36 7.795 7.848 -10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.100 5.344 -10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.564 6.846 -11.360 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.350 6.112 -12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.155 4.956 -12.580 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.933 7.353 -13.704 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.818 8.130 -14.834 1.00 0.00 H new ATOM 503 N LYS A 37 5.270 6.956 -8.498 1.00 0.00 N ATOM 504 CA LYS A 37 4.254 7.475 -7.589 1.00 0.00 C ATOM 505 C LYS A 37 4.802 7.589 -6.170 1.00 0.00 C ATOM 506 O LYS A 37 5.309 6.618 -5.610 1.00 0.00 O ATOM 507 CB LYS A 37 3.020 6.573 -7.602 1.00 0.00 C ATOM 508 CG LYS A 37 2.078 6.847 -8.764 1.00 0.00 C ATOM 509 CD LYS A 37 0.626 6.639 -8.366 1.00 0.00 C ATOM 510 CE LYS A 37 -0.210 6.158 -9.541 1.00 0.00 C ATOM 511 NZ LYS A 37 -1.655 6.465 -9.357 1.00 0.00 N ATOM 0 H LYS A 37 5.209 5.953 -8.671 1.00 0.00 H new ATOM 0 HA LYS A 37 3.970 8.471 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.341 5.532 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.476 6.702 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.217 7.870 -9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.326 6.189 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.570 5.911 -7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.215 7.573 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.147 6.628 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.080 5.083 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.222 5.631 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.833 6.714 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.921 7.264 -9.967 1.00 0.00 H new ATOM 525 N VAL A 38 4.695 8.782 -5.594 1.00 0.00 N ATOM 526 CA VAL A 38 5.179 9.023 -4.241 1.00 0.00 C ATOM 527 C VAL A 38 4.029 9.041 -3.240 1.00 0.00 C ATOM 528 O VAL A 38 3.031 9.735 -3.438 1.00 0.00 O ATOM 529 CB VAL A 38 5.946 10.356 -4.146 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.614 10.493 -2.788 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.971 10.462 -5.266 1.00 0.00 C ATOM 0 H VAL A 38 4.277 9.597 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 38 5.856 8.204 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 38 5.233 11.173 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.151 11.441 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.856 10.465 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.315 9.671 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.503 11.410 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.681 9.639 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.464 10.414 -6.229 1.00 0.00 H new ATOM 541 N GLY A 39 4.175 8.274 -2.165 1.00 0.00 N ATOM 542 CA GLY A 39 3.141 8.216 -1.149 1.00 0.00 C ATOM 543 C GLY A 39 3.691 7.860 0.218 1.00 0.00 C ATOM 544 O GLY A 39 4.868 7.527 0.353 1.00 0.00 O ATOM 0 H GLY A 39 4.991 7.691 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.635 9.180 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.392 7.479 -1.439 1.00 0.00 H new ATOM 548 N THR A 40 2.838 7.930 1.235 1.00 0.00 N ATOM 549 CA THR A 40 3.248 7.613 2.598 1.00 0.00 C ATOM 550 C THR A 40 2.970 6.149 2.922 1.00 0.00 C ATOM 551 O THR A 40 1.832 5.688 2.833 1.00 0.00 O ATOM 552 CB THR A 40 2.517 8.515 3.595 1.00 0.00 C ATOM 553 OG1 THR A 40 2.087 9.710 2.969 1.00 0.00 O ATOM 554 CG2 THR A 40 3.368 8.901 4.786 1.00 0.00 C ATOM 0 H THR A 40 1.860 8.203 1.141 1.00 0.00 H new ATOM 0 HA THR A 40 4.321 7.788 2.679 1.00 0.00 H new ATOM 0 HB THR A 40 1.669 7.928 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.621 10.272 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.791 9.540 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.675 8.002 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.252 9.439 4.443 1.00 0.00 H new ATOM 562 N LEU A 41 4.018 5.422 3.299 1.00 0.00 N ATOM 563 CA LEU A 41 3.887 4.010 3.636 1.00 0.00 C ATOM 564 C LEU A 41 3.008 3.824 4.868 1.00 0.00 C ATOM 565 O LEU A 41 3.317 4.331 5.947 1.00 0.00 O ATOM 566 CB LEU A 41 5.266 3.395 3.882 1.00 0.00 C ATOM 567 CG LEU A 41 5.283 1.869 3.998 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.997 1.229 2.648 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.620 1.393 4.544 1.00 0.00 C ATOM 0 H LEU A 41 4.967 5.788 3.378 1.00 0.00 H new ATOM 0 HA LEU A 41 3.414 3.503 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.929 3.690 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.678 3.818 4.798 1.00 0.00 H new ATOM 0 HG LEU A 41 4.500 1.566 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.013 0.144 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.016 1.546 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.757 1.538 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.616 0.306 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.420 1.706 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.785 1.825 5.531 1.00 0.00 H new ATOM 581 N ARG A 42 1.909 3.095 4.700 1.00 0.00 N ATOM 582 CA ARG A 42 0.984 2.841 5.799 1.00 0.00 C ATOM 583 C ARG A 42 0.966 1.361 6.165 1.00 0.00 C ATOM 584 O ARG A 42 1.232 0.991 7.309 1.00 0.00 O ATOM 585 CB ARG A 42 -0.425 3.301 5.421 1.00 0.00 C ATOM 586 CG ARG A 42 -0.493 4.754 4.981 1.00 0.00 C ATOM 587 CD ARG A 42 -0.138 5.699 6.118 1.00 0.00 C ATOM 588 NE ARG A 42 -1.046 6.843 6.184 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.165 7.634 7.247 1.00 0.00 C ATOM 590 NH1 ARG A 42 -0.437 7.411 8.334 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.015 8.651 7.224 1.00 0.00 N ATOM 0 H ARG A 42 1.637 2.670 3.814 1.00 0.00 H new ATOM 0 HA ARG A 42 1.325 3.406 6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.801 2.669 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.086 3.157 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.190 4.915 4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.496 4.979 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.169 5.157 7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.884 6.055 5.988 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.622 7.047 5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.218 6.630 8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.533 8.021 9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.578 8.827 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.107 9.258 8.039 1.00 0.00 H new ATOM 605 N PHE A 43 0.654 0.518 5.186 1.00 0.00 N ATOM 606 CA PHE A 43 0.602 -0.923 5.405 1.00 0.00 C ATOM 607 C PHE A 43 1.663 -1.637 4.573 1.00 0.00 C ATOM 608 O PHE A 43 1.888 -1.298 3.413 1.00 0.00 O ATOM 609 CB PHE A 43 -0.785 -1.463 5.055 1.00 0.00 C ATOM 610 CG PHE A 43 -0.938 -2.936 5.307 1.00 0.00 C ATOM 611 CD1 PHE A 43 -1.041 -3.424 6.600 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.979 -3.832 4.251 1.00 0.00 C ATOM 613 CE1 PHE A 43 -1.180 -4.779 6.835 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.120 -5.188 4.479 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.221 -5.662 5.773 1.00 0.00 C ATOM 0 H PHE A 43 0.433 0.808 4.233 1.00 0.00 H new ATOM 0 HA PHE A 43 0.803 -1.113 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.533 -0.924 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.990 -1.259 4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.012 -2.738 7.433 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.900 -3.467 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.256 -5.147 7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.151 -5.876 3.647 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.332 -6.721 5.954 1.00 0.00 H new ATOM 625 N CYS A 44 2.312 -2.629 5.177 1.00 0.00 N ATOM 626 CA CYS A 44 3.349 -3.391 4.492 1.00 0.00 C ATOM 627 C CYS A 44 3.193 -4.884 4.763 1.00 0.00 C ATOM 628 O CYS A 44 3.100 -5.310 5.914 1.00 0.00 O ATOM 629 CB CYS A 44 4.735 -2.922 4.937 1.00 0.00 C ATOM 630 SG CYS A 44 4.987 -2.962 6.728 1.00 0.00 S ATOM 0 H CYS A 44 2.138 -2.923 6.138 1.00 0.00 H new ATOM 0 HA CYS A 44 3.243 -3.220 3.421 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.489 -3.548 4.460 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.894 -1.904 4.581 1.00 0.00 H new ATOM 0 HG CYS A 44 4.321 -3.955 7.238 1.00 0.00 H new ATOM 636 N GLY A 45 3.167 -5.674 3.694 1.00 0.00 N ATOM 637 CA GLY A 45 3.024 -7.111 3.838 1.00 0.00 C ATOM 638 C GLY A 45 2.174 -7.721 2.741 1.00 0.00 C ATOM 639 O GLY A 45 1.914 -7.084 1.720 1.00 0.00 O ATOM 0 H GLY A 45 3.242 -5.345 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.011 -7.574 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.576 -7.333 4.807 1.00 0.00 H new ATOM 643 N THR A 46 1.741 -8.960 2.952 1.00 0.00 N ATOM 644 CA THR A 46 0.916 -9.658 1.972 1.00 0.00 C ATOM 645 C THR A 46 -0.540 -9.213 2.069 1.00 0.00 C ATOM 646 O THR A 46 -1.055 -8.973 3.161 1.00 0.00 O ATOM 647 CB THR A 46 1.013 -11.170 2.178 1.00 0.00 C ATOM 648 OG1 THR A 46 0.575 -11.529 3.476 1.00 0.00 O ATOM 649 CG2 THR A 46 2.416 -11.709 2.003 1.00 0.00 C ATOM 0 H THR A 46 1.947 -9.501 3.792 1.00 0.00 H new ATOM 0 HA THR A 46 1.288 -9.408 0.978 1.00 0.00 H new ATOM 0 HB THR A 46 0.374 -11.607 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.643 -12.500 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.414 -12.787 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.766 -11.492 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.080 -11.236 2.726 1.00 0.00 H new ATOM 657 N THR A 47 -1.197 -9.105 0.919 1.00 0.00 N ATOM 658 CA THR A 47 -2.594 -8.688 0.873 1.00 0.00 C ATOM 659 C THR A 47 -3.522 -9.899 0.858 1.00 0.00 C ATOM 660 O THR A 47 -3.066 -11.042 0.885 1.00 0.00 O ATOM 661 CB THR A 47 -2.849 -7.821 -0.360 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.263 -8.401 -1.511 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.304 -6.415 -0.226 1.00 0.00 C ATOM 0 H THR A 47 -0.785 -9.300 0.007 1.00 0.00 H new ATOM 0 HA THR A 47 -2.803 -8.103 1.769 1.00 0.00 H new ATOM 0 HB THR A 47 -3.933 -7.766 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.524 -9.344 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.519 -5.853 -1.135 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.774 -5.922 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.226 -6.456 -0.071 1.00 0.00 H new ATOM 671 N GLU A 48 -4.824 -9.640 0.815 1.00 0.00 N ATOM 672 CA GLU A 48 -5.817 -10.709 0.795 1.00 0.00 C ATOM 673 C GLU A 48 -6.348 -10.931 -0.616 1.00 0.00 C ATOM 674 O GLU A 48 -6.559 -12.068 -1.040 1.00 0.00 O ATOM 675 CB GLU A 48 -6.971 -10.378 1.744 1.00 0.00 C ATOM 676 CG GLU A 48 -6.837 -11.023 3.114 1.00 0.00 C ATOM 677 CD GLU A 48 -7.902 -12.071 3.375 1.00 0.00 C ATOM 678 OE1 GLU A 48 -9.099 -11.752 3.215 1.00 0.00 O ATOM 679 OE2 GLU A 48 -7.538 -13.209 3.739 1.00 0.00 O ATOM 0 H GLU A 48 -5.217 -8.699 0.793 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.334 -11.627 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.032 -9.296 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.908 -10.701 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.852 -11.483 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.897 -10.251 3.882 1.00 0.00 H new ATOM 686 N PHE A 49 -6.563 -9.838 -1.341 1.00 0.00 N ATOM 687 CA PHE A 49 -7.070 -9.913 -2.707 1.00 0.00 C ATOM 688 C PHE A 49 -6.047 -10.560 -3.633 1.00 0.00 C ATOM 689 O PHE A 49 -6.407 -11.228 -4.603 1.00 0.00 O ATOM 690 CB PHE A 49 -7.426 -8.516 -3.217 1.00 0.00 C ATOM 691 CG PHE A 49 -6.283 -7.544 -3.149 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.374 -7.450 -4.191 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.118 -6.724 -2.044 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.321 -6.556 -4.132 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.067 -5.830 -1.979 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.168 -5.745 -3.025 1.00 0.00 C ATOM 0 H PHE A 49 -6.394 -8.890 -1.006 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.968 -10.531 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.768 -8.591 -4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.259 -8.126 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.490 -8.082 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.819 -6.785 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.619 -6.492 -4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.948 -5.198 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.347 -5.045 -2.977 1.00 0.00 H new ATOM 706 N ALA A 50 -4.769 -10.358 -3.328 1.00 0.00 N ATOM 707 CA ALA A 50 -3.693 -10.921 -4.134 1.00 0.00 C ATOM 708 C ALA A 50 -2.572 -11.461 -3.253 1.00 0.00 C ATOM 709 O ALA A 50 -2.429 -11.060 -2.098 1.00 0.00 O ATOM 710 CB ALA A 50 -3.153 -9.876 -5.098 1.00 0.00 C ATOM 0 H ALA A 50 -4.454 -9.809 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.100 -11.753 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.350 -10.311 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.954 -9.541 -5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.768 -9.026 -4.535 1.00 0.00 H new ATOM 716 N SER A 51 -1.778 -12.372 -3.807 1.00 0.00 N ATOM 717 CA SER A 51 -0.669 -12.967 -3.071 1.00 0.00 C ATOM 718 C SER A 51 0.649 -12.288 -3.432 1.00 0.00 C ATOM 719 O SER A 51 0.745 -11.597 -4.446 1.00 0.00 O ATOM 720 CB SER A 51 -0.581 -14.466 -3.362 1.00 0.00 C ATOM 721 OG SER A 51 -0.176 -15.187 -2.212 1.00 0.00 O ATOM 0 H SER A 51 -1.882 -12.714 -4.762 1.00 0.00 H new ATOM 0 HA SER A 51 -0.853 -12.822 -2.006 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.551 -14.831 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.127 -14.641 -4.172 1.00 0.00 H new ATOM 0 HG SER A 51 -0.129 -16.143 -2.425 1.00 0.00 H new ATOM 727 N GLY A 52 1.661 -12.491 -2.596 1.00 0.00 N ATOM 728 CA GLY A 52 2.960 -11.892 -2.844 1.00 0.00 C ATOM 729 C GLY A 52 3.234 -10.707 -1.939 1.00 0.00 C ATOM 730 O GLY A 52 2.434 -10.391 -1.059 1.00 0.00 O ATOM 0 H GLY A 52 1.606 -13.060 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.737 -12.643 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.016 -11.572 -3.884 1.00 0.00 H new ATOM 734 N GLN A 53 4.369 -10.051 -2.155 1.00 0.00 N ATOM 735 CA GLN A 53 4.748 -8.894 -1.351 1.00 0.00 C ATOM 736 C GLN A 53 4.046 -7.634 -1.849 1.00 0.00 C ATOM 737 O GLN A 53 4.271 -7.189 -2.975 1.00 0.00 O ATOM 738 CB GLN A 53 6.266 -8.699 -1.387 1.00 0.00 C ATOM 739 CG GLN A 53 6.898 -8.600 -0.008 1.00 0.00 C ATOM 740 CD GLN A 53 6.932 -9.932 0.714 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.438 -10.924 0.189 1.00 0.00 O ATOM 742 NE2 GLN A 53 6.390 -9.964 1.926 1.00 0.00 N ATOM 0 H GLN A 53 5.042 -10.300 -2.879 1.00 0.00 H new ATOM 0 HA GLN A 53 4.438 -9.077 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.718 -9.531 -1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.495 -7.793 -1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.914 -8.217 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.342 -7.880 0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.981 -9.119 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.383 -10.834 2.459 1.00 0.00 H new ATOM 751 N TRP A 54 3.194 -7.064 -1.003 1.00 0.00 N ATOM 752 CA TRP A 54 2.459 -5.855 -1.357 1.00 0.00 C ATOM 753 C TRP A 54 2.664 -4.766 -0.308 1.00 0.00 C ATOM 754 O TRP A 54 3.303 -4.992 0.719 1.00 0.00 O ATOM 755 CB TRP A 54 0.968 -6.165 -1.500 1.00 0.00 C ATOM 756 CG TRP A 54 0.650 -7.025 -2.685 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.631 -8.390 -2.725 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.309 -6.579 -4.002 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.298 -8.820 -3.986 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.095 -7.727 -4.789 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.162 -5.322 -4.594 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.257 -7.653 -6.135 1.00 0.00 C ATOM 763 CZ3 TRP A 54 -0.187 -5.249 -5.929 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.394 -6.409 -6.686 1.00 0.00 C ATOM 0 H TRP A 54 2.996 -7.420 -0.068 1.00 0.00 H new ATOM 0 HA TRP A 54 2.843 -5.493 -2.311 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.620 -6.663 -0.595 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.416 -5.229 -1.581 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.846 -9.037 -1.887 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.215 -9.794 -4.278 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.319 -4.422 -4.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.416 -8.546 -6.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.302 -4.282 -6.396 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.668 -6.319 -7.727 1.00 0.00 H new ATOM 775 N ALA A 55 2.119 -3.584 -0.576 1.00 0.00 N ATOM 776 CA ALA A 55 2.242 -2.459 0.343 1.00 0.00 C ATOM 777 C ALA A 55 1.093 -1.473 0.162 1.00 0.00 C ATOM 778 O ALA A 55 0.807 -1.036 -0.952 1.00 0.00 O ATOM 779 CB ALA A 55 3.578 -1.759 0.142 1.00 0.00 C ATOM 0 H ALA A 55 1.588 -3.381 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 55 2.196 -2.846 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.657 -0.921 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.389 -2.462 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.646 -1.392 -0.882 1.00 0.00 H new ATOM 785 N GLY A 56 0.439 -1.126 1.266 1.00 0.00 N ATOM 786 CA GLY A 56 -0.671 -0.193 1.207 1.00 0.00 C ATOM 787 C GLY A 56 -0.238 1.240 1.449 1.00 0.00 C ATOM 788 O GLY A 56 -0.066 1.659 2.593 1.00 0.00 O ATOM 0 H GLY A 56 0.658 -1.474 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.150 -0.264 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.418 -0.474 1.950 1.00 0.00 H new ATOM 792 N ILE A 57 -0.062 1.993 0.367 1.00 0.00 N ATOM 793 CA ILE A 57 0.354 3.387 0.466 1.00 0.00 C ATOM 794 C ILE A 57 -0.832 4.327 0.276 1.00 0.00 C ATOM 795 O ILE A 57 -1.819 3.976 -0.370 1.00 0.00 O ATOM 796 CB ILE A 57 1.435 3.727 -0.577 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.578 2.710 -0.514 1.00 0.00 C ATOM 798 CG2 ILE A 57 1.963 5.137 -0.354 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.176 2.390 -1.866 1.00 0.00 C ATOM 0 H ILE A 57 -0.201 1.661 -0.587 1.00 0.00 H new ATOM 0 HA ILE A 57 0.769 3.524 1.465 1.00 0.00 H new ATOM 0 HB ILE A 57 0.986 3.679 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.361 3.095 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.210 1.789 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.726 5.362 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.144 5.851 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.397 5.209 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.980 1.663 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.405 1.975 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.575 3.301 -2.312 1.00 0.00 H new ATOM 811 N GLU A 58 -0.728 5.524 0.845 1.00 0.00 N ATOM 812 CA GLU A 58 -1.790 6.518 0.738 1.00 0.00 C ATOM 813 C GLU A 58 -1.321 7.731 -0.058 1.00 0.00 C ATOM 814 O GLU A 58 -0.586 8.576 0.455 1.00 0.00 O ATOM 815 CB GLU A 58 -2.253 6.953 2.129 1.00 0.00 C ATOM 816 CG GLU A 58 -3.655 7.538 2.147 1.00 0.00 C ATOM 817 CD GLU A 58 -3.729 8.856 2.895 1.00 0.00 C ATOM 818 OE1 GLU A 58 -3.425 9.902 2.285 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.090 8.841 4.091 1.00 0.00 O ATOM 0 H GLU A 58 0.082 5.829 1.385 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.628 6.062 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.218 6.094 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.555 7.692 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.996 7.687 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.337 6.824 2.609 1.00 0.00 H new ATOM 826 N LEU A 59 -1.749 7.811 -1.313 1.00 0.00 N ATOM 827 CA LEU A 59 -1.372 8.923 -2.179 1.00 0.00 C ATOM 828 C LEU A 59 -1.921 10.241 -1.643 1.00 0.00 C ATOM 829 O LEU A 59 -3.047 10.302 -1.151 1.00 0.00 O ATOM 830 CB LEU A 59 -1.885 8.684 -3.601 1.00 0.00 C ATOM 831 CG LEU A 59 -1.525 7.324 -4.201 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.546 6.918 -5.253 1.00 0.00 C ATOM 833 CD2 LEU A 59 -0.126 7.360 -4.797 1.00 0.00 C ATOM 0 H LEU A 59 -2.357 7.120 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.284 8.985 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.970 8.788 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.490 9.466 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.540 6.580 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.274 5.948 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.533 6.853 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.564 7.662 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.115 6.385 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.084 8.116 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.595 7.606 -4.018 1.00 0.00 H new ATOM 845 N ASP A 60 -1.116 11.295 -1.743 1.00 0.00 N ATOM 846 CA ASP A 60 -1.521 12.613 -1.269 1.00 0.00 C ATOM 847 C ASP A 60 -2.494 13.266 -2.245 1.00 0.00 C ATOM 848 O ASP A 60 -3.364 14.040 -1.846 1.00 0.00 O ATOM 849 CB ASP A 60 -0.294 13.507 -1.074 1.00 0.00 C ATOM 850 CG ASP A 60 -0.267 14.160 0.294 1.00 0.00 C ATOM 851 OD1 ASP A 60 -1.336 14.244 0.934 1.00 0.00 O ATOM 852 OD2 ASP A 60 0.824 14.590 0.725 1.00 0.00 O ATOM 0 H ASP A 60 -0.180 11.261 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.026 12.489 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.610 12.913 -1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.285 14.280 -1.843 1.00 0.00 H new ATOM 857 N GLU A 61 -2.340 12.948 -3.527 1.00 0.00 N ATOM 858 CA GLU A 61 -3.204 13.503 -4.562 1.00 0.00 C ATOM 859 C GLU A 61 -4.243 12.477 -5.011 1.00 0.00 C ATOM 860 O GLU A 61 -4.033 11.272 -4.880 1.00 0.00 O ATOM 861 CB GLU A 61 -2.370 13.958 -5.761 1.00 0.00 C ATOM 862 CG GLU A 61 -1.402 15.084 -5.436 1.00 0.00 C ATOM 863 CD GLU A 61 -2.016 16.456 -5.636 1.00 0.00 C ATOM 864 OE1 GLU A 61 -3.261 16.554 -5.644 1.00 0.00 O ATOM 865 OE2 GLU A 61 -1.251 17.432 -5.786 1.00 0.00 O ATOM 0 H GLU A 61 -1.625 12.309 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.726 14.363 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.808 13.107 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.040 14.284 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.070 14.986 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.517 14.991 -6.066 1.00 0.00 H new ATOM 872 N PRO A 62 -5.384 12.947 -5.547 1.00 0.00 N ATOM 873 CA PRO A 62 -6.457 12.063 -6.015 1.00 0.00 C ATOM 874 C PRO A 62 -6.053 11.267 -7.252 1.00 0.00 C ATOM 875 O PRO A 62 -6.344 11.664 -8.381 1.00 0.00 O ATOM 876 CB PRO A 62 -7.596 13.029 -6.349 1.00 0.00 C ATOM 877 CG PRO A 62 -6.924 14.327 -6.632 1.00 0.00 C ATOM 878 CD PRO A 62 -5.716 14.370 -5.739 1.00 0.00 C ATOM 0 HA PRO A 62 -6.722 11.314 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.168 12.684 -7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.295 13.119 -5.518 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.637 14.397 -7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.591 15.165 -6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.894 14.916 -6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.934 14.863 -4.792 1.00 0.00 H new ATOM 886 N GLU A 63 -5.379 10.142 -7.033 1.00 0.00 N ATOM 887 CA GLU A 63 -4.935 9.291 -8.129 1.00 0.00 C ATOM 888 C GLU A 63 -4.920 7.825 -7.708 1.00 0.00 C ATOM 889 O GLU A 63 -4.103 7.039 -8.189 1.00 0.00 O ATOM 890 CB GLU A 63 -3.542 9.713 -8.598 1.00 0.00 C ATOM 891 CG GLU A 63 -3.550 10.919 -9.524 1.00 0.00 C ATOM 892 CD GLU A 63 -4.005 10.573 -10.928 1.00 0.00 C ATOM 893 OE1 GLU A 63 -4.891 9.704 -11.068 1.00 0.00 O ATOM 894 OE2 GLU A 63 -3.475 11.171 -11.888 1.00 0.00 O ATOM 0 H GLU A 63 -5.129 9.799 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.639 9.406 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.927 9.939 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.071 8.875 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.207 11.685 -9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.548 11.347 -9.566 1.00 0.00 H new ATOM 901 N GLY A 64 -5.826 7.464 -6.806 1.00 0.00 N ATOM 902 CA GLY A 64 -5.900 6.092 -6.334 1.00 0.00 C ATOM 903 C GLY A 64 -7.185 5.403 -6.749 1.00 0.00 C ATOM 904 O GLY A 64 -8.193 6.061 -7.009 1.00 0.00 O ATOM 0 H GLY A 64 -6.511 8.097 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.049 5.531 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.820 6.080 -5.247 1.00 0.00 H new ATOM 908 N LYS A 65 -7.150 4.076 -6.811 1.00 0.00 N ATOM 909 CA LYS A 65 -8.322 3.298 -7.198 1.00 0.00 C ATOM 910 C LYS A 65 -8.923 2.581 -5.993 1.00 0.00 C ATOM 911 O LYS A 65 -9.514 1.510 -6.128 1.00 0.00 O ATOM 912 CB LYS A 65 -7.950 2.280 -8.278 1.00 0.00 C ATOM 913 CG LYS A 65 -7.189 2.883 -9.447 1.00 0.00 C ATOM 914 CD LYS A 65 -6.872 1.837 -10.503 1.00 0.00 C ATOM 915 CE LYS A 65 -6.520 2.480 -11.835 1.00 0.00 C ATOM 916 NZ LYS A 65 -7.682 2.501 -12.766 1.00 0.00 N ATOM 0 H LYS A 65 -6.324 3.517 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.067 3.986 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.345 1.492 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.860 1.810 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.779 3.684 -9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.263 3.331 -9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.041 1.218 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.730 1.177 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.172 3.499 -11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.696 1.934 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.401 2.947 -13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.998 1.527 -12.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.460 3.043 -12.338 1.00 0.00 H new ATOM 930 N ASN A 66 -8.771 3.179 -4.816 1.00 0.00 N ATOM 931 CA ASN A 66 -9.301 2.596 -3.589 1.00 0.00 C ATOM 932 C ASN A 66 -9.583 3.677 -2.551 1.00 0.00 C ATOM 933 O ASN A 66 -9.107 4.806 -2.670 1.00 0.00 O ATOM 934 CB ASN A 66 -8.317 1.570 -3.019 1.00 0.00 C ATOM 935 CG ASN A 66 -8.408 0.231 -3.722 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.461 -0.143 -4.239 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.301 -0.503 -3.743 1.00 0.00 N ATOM 0 H ASN A 66 -8.285 4.067 -4.686 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.238 2.095 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.302 1.956 -3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.514 1.433 -1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.302 -1.415 -4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.450 -0.155 -3.302 1.00 0.00 H new ATOM 944 N ASN A 67 -10.361 3.323 -1.532 1.00 0.00 N ATOM 945 CA ASN A 67 -10.707 4.264 -0.472 1.00 0.00 C ATOM 946 C ASN A 67 -10.226 3.759 0.884 1.00 0.00 C ATOM 947 O ASN A 67 -10.834 4.042 1.915 1.00 0.00 O ATOM 948 CB ASN A 67 -12.219 4.492 -0.437 1.00 0.00 C ATOM 949 CG ASN A 67 -12.991 3.208 -0.202 1.00 0.00 C ATOM 950 OD1 ASN A 67 -13.034 2.690 0.914 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.608 2.687 -1.258 1.00 0.00 N ATOM 0 H ASN A 67 -10.763 2.393 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.208 5.210 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.458 5.206 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.539 4.938 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.144 1.824 -1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.546 3.150 -2.165 1.00 0.00 H new ATOM 958 N GLY A 68 -9.129 3.008 0.875 1.00 0.00 N ATOM 959 CA GLY A 68 -8.584 2.475 2.110 1.00 0.00 C ATOM 960 C GLY A 68 -8.866 0.996 2.278 1.00 0.00 C ATOM 961 O GLY A 68 -8.101 0.280 2.924 1.00 0.00 O ATOM 0 H GLY A 68 -8.608 2.759 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.507 2.641 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.006 3.020 2.955 1.00 0.00 H new ATOM 965 N SER A 69 -9.969 0.535 1.697 1.00 0.00 N ATOM 966 CA SER A 69 -10.352 -0.870 1.786 1.00 0.00 C ATOM 967 C SER A 69 -10.410 -1.507 0.402 1.00 0.00 C ATOM 968 O SER A 69 -11.033 -0.970 -0.515 1.00 0.00 O ATOM 969 CB SER A 69 -11.708 -1.007 2.481 1.00 0.00 C ATOM 970 OG SER A 69 -12.580 0.048 2.112 1.00 0.00 O ATOM 0 H SER A 69 -10.614 1.114 1.159 1.00 0.00 H new ATOM 0 HA SER A 69 -9.596 -1.391 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.159 -1.964 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.568 -1.006 3.562 1.00 0.00 H new ATOM 0 HG SER A 69 -13.440 -0.064 2.568 1.00 0.00 H new ATOM 976 N VAL A 70 -9.759 -2.656 0.257 1.00 0.00 N ATOM 977 CA VAL A 70 -9.737 -3.368 -1.015 1.00 0.00 C ATOM 978 C VAL A 70 -10.703 -4.548 -1.001 1.00 0.00 C ATOM 979 O VAL A 70 -10.395 -5.609 -0.458 1.00 0.00 O ATOM 980 CB VAL A 70 -8.324 -3.881 -1.349 1.00 0.00 C ATOM 981 CG1 VAL A 70 -8.278 -4.441 -2.763 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.297 -2.772 -1.172 1.00 0.00 C ATOM 0 H VAL A 70 -9.239 -3.114 1.005 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.047 -2.656 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.077 -4.686 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.271 -4.798 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.983 -5.268 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.546 -3.659 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.305 -3.153 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.538 -1.943 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.311 -2.424 -0.139 1.00 0.00 H new ATOM 992 N GLY A 71 -11.873 -4.355 -1.600 1.00 0.00 N ATOM 993 CA GLY A 71 -12.867 -5.412 -1.644 1.00 0.00 C ATOM 994 C GLY A 71 -13.557 -5.614 -0.309 1.00 0.00 C ATOM 995 O GLY A 71 -14.272 -4.734 0.168 1.00 0.00 O ATOM 0 H GLY A 71 -12.151 -3.486 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.613 -5.174 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.389 -6.344 -1.947 1.00 0.00 H new ATOM 999 N ARG A 72 -13.342 -6.779 0.295 1.00 0.00 N ATOM 1000 CA ARG A 72 -13.949 -7.095 1.583 1.00 0.00 C ATOM 1001 C ARG A 72 -12.896 -7.125 2.688 1.00 0.00 C ATOM 1002 O ARG A 72 -13.030 -7.858 3.667 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.675 -8.441 1.510 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.185 -8.307 1.377 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.757 -9.357 0.439 1.00 0.00 C ATOM 1006 NE ARG A 72 -17.099 -10.591 1.140 1.00 0.00 N ATOM 1007 CZ ARG A 72 -17.393 -11.736 0.528 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -17.388 -11.808 -0.797 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -17.694 -12.812 1.242 1.00 0.00 N ATOM 0 H ARG A 72 -12.753 -7.519 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.672 -6.314 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.292 -9.006 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.446 -9.018 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.648 -8.404 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.432 -7.312 1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.647 -8.960 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.032 -9.575 -0.346 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.114 -10.575 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.158 -10.983 -1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.614 -12.688 -1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.700 -12.763 2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.919 -13.689 0.772 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.849 -6.323 2.523 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.775 -6.257 3.506 1.00 0.00 C ATOM 1025 C VAL A 73 -10.238 -4.834 3.639 1.00 0.00 C ATOM 1026 O VAL A 73 -9.891 -4.197 2.645 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.614 -7.198 3.134 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.598 -7.268 4.264 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -10.140 -8.584 2.793 1.00 0.00 C ATOM 0 H VAL A 73 -11.722 -5.710 1.718 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.199 -6.574 4.459 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.113 -6.797 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.786 -7.938 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.198 -6.272 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.082 -7.644 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.306 -9.236 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.667 -8.995 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.825 -8.516 1.948 1.00 0.00 H new ATOM 1039 N GLN A 74 -10.175 -4.343 4.872 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.682 -2.996 5.134 1.00 0.00 C ATOM 1041 C GLN A 74 -8.259 -3.034 5.684 1.00 0.00 C ATOM 1042 O GLN A 74 -7.917 -3.900 6.488 1.00 0.00 O ATOM 1043 CB GLN A 74 -10.602 -2.276 6.120 1.00 0.00 C ATOM 1044 CG GLN A 74 -10.572 -0.762 5.988 1.00 0.00 C ATOM 1045 CD GLN A 74 -9.686 -0.103 7.026 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -8.745 0.716 6.568 1.00 0.00 O flip ATOM 1047 NE2 GLN A 74 -9.844 -0.328 8.226 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.459 -4.858 5.706 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.673 -2.450 4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.624 -2.625 5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.317 -2.549 7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.219 -0.495 4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.586 -0.373 6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.580 -0.964 8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.239 0.122 8.913 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.435 -2.088 5.244 1.00 0.00 N ATOM 1057 CA TYR A 75 -6.049 -2.012 5.692 1.00 0.00 C ATOM 1058 C TYR A 75 -5.779 -0.689 6.402 1.00 0.00 C ATOM 1059 O TYR A 75 -5.397 -0.668 7.572 1.00 0.00 O ATOM 1060 CB TYR A 75 -5.098 -2.170 4.504 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.426 -3.350 3.618 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.579 -3.363 2.844 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.581 -4.451 3.554 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.882 -4.440 2.032 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.876 -5.532 2.744 1.00 0.00 C ATOM 1066 CZ TYR A 75 -6.028 -5.521 1.987 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.326 -6.594 1.179 1.00 0.00 O ATOM 0 H TYR A 75 -7.703 -1.364 4.578 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.876 -2.825 6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.123 -1.259 3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.079 -2.278 4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.250 -2.518 2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.678 -4.463 4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.783 -4.434 1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.208 -6.380 2.705 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.991 -6.425 0.274 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.981 0.413 5.686 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.761 1.740 6.248 1.00 0.00 C ATOM 1079 C PHE A 76 -6.823 2.720 5.760 1.00 0.00 C ATOM 1080 O PHE A 76 -7.110 2.796 4.565 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.368 2.250 5.875 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.170 2.427 4.396 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -4.490 3.627 3.780 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -3.662 1.396 3.623 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -4.309 3.793 2.419 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -3.479 1.556 2.263 1.00 0.00 C ATOM 1087 CZ PHE A 76 -3.802 2.756 1.660 1.00 0.00 C ATOM 0 H PHE A 76 -6.297 0.413 4.716 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.834 1.665 7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.193 3.204 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.621 1.552 6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.885 4.441 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.406 0.456 4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.564 4.732 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.084 0.743 1.672 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.658 2.883 0.597 1.00 0.00 H new ATOM 1097 N LYS A 77 -7.403 3.470 6.692 1.00 0.00 N ATOM 1098 CA LYS A 77 -8.434 4.446 6.356 1.00 0.00 C ATOM 1099 C LYS A 77 -7.848 5.600 5.548 1.00 0.00 C ATOM 1100 O LYS A 77 -6.697 5.990 5.747 1.00 0.00 O ATOM 1101 CB LYS A 77 -9.095 4.978 7.630 1.00 0.00 C ATOM 1102 CG LYS A 77 -10.484 4.411 7.875 1.00 0.00 C ATOM 1103 CD LYS A 77 -10.425 3.106 8.652 1.00 0.00 C ATOM 1104 CE LYS A 77 -10.656 3.330 10.137 1.00 0.00 C ATOM 1105 NZ LYS A 77 -9.494 3.996 10.787 1.00 0.00 N ATOM 0 H LYS A 77 -7.177 3.421 7.685 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.188 3.948 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.460 4.744 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.160 6.064 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.082 5.137 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.984 4.245 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.176 2.417 8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.454 2.635 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.549 3.940 10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.844 2.373 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.641 4.024 11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.626 3.464 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.403 4.966 10.424 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.649 6.144 4.638 1.00 0.00 N ATOM 1120 CA CYS A 78 -8.213 7.255 3.800 1.00 0.00 C ATOM 1121 C CYS A 78 -9.387 7.841 3.021 1.00 0.00 C ATOM 1122 O CYS A 78 -10.537 7.457 3.232 1.00 0.00 O ATOM 1123 CB CYS A 78 -7.121 6.793 2.833 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.670 5.552 1.637 1.00 0.00 S ATOM 0 H CYS A 78 -9.604 5.833 4.462 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.808 8.032 4.449 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.739 7.659 2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -6.290 6.385 3.408 1.00 0.00 H new ATOM 0 HG CYS A 78 -8.402 6.121 0.726 1.00 0.00 H new ATOM 1130 N ALA A 79 -9.088 8.773 2.122 1.00 0.00 N ATOM 1131 CA ALA A 79 -10.119 9.411 1.313 1.00 0.00 C ATOM 1132 C ALA A 79 -10.421 8.592 0.059 1.00 0.00 C ATOM 1133 O ALA A 79 -9.583 7.818 -0.402 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.694 10.821 0.935 1.00 0.00 C ATOM 0 H ALA A 79 -8.141 9.103 1.936 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.031 9.465 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.473 11.286 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.537 11.408 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.767 10.781 0.363 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.628 8.754 -0.511 1.00 0.00 N ATOM 1141 CA PRO A 80 -12.036 8.024 -1.716 1.00 0.00 C ATOM 1142 C PRO A 80 -11.124 8.314 -2.904 1.00 0.00 C ATOM 1143 O PRO A 80 -10.927 9.469 -3.281 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.453 8.541 -1.996 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.918 9.120 -0.704 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.688 9.652 -0.026 1.00 0.00 C ATOM 0 HA PRO A 80 -11.986 6.945 -1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.450 9.292 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -14.109 7.735 -2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.646 9.914 -0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.406 8.363 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.494 10.689 -0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.779 9.619 1.060 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.573 7.257 -3.493 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.683 7.395 -4.642 1.00 0.00 C ATOM 1156 C LYS A 81 -8.390 8.105 -4.251 1.00 0.00 C ATOM 1157 O LYS A 81 -7.964 9.053 -4.911 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.382 8.162 -5.768 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.816 7.716 -6.008 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.515 8.610 -7.020 1.00 0.00 C ATOM 1161 CE LYS A 81 -13.662 7.885 -7.705 1.00 0.00 C ATOM 1162 NZ LYS A 81 -14.948 8.066 -6.977 1.00 0.00 N ATOM 0 H LYS A 81 -10.727 6.294 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.432 6.395 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.376 9.226 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.813 8.038 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.823 6.686 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.365 7.731 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.894 9.501 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.797 8.945 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.767 8.255 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.430 6.822 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.704 7.556 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.856 7.690 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.183 9.078 -6.934 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.766 7.636 -3.175 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.518 8.223 -2.697 1.00 0.00 C ATOM 1178 C TYR A 82 -5.502 7.137 -2.359 1.00 0.00 C ATOM 1179 O TYR A 82 -4.343 7.208 -2.766 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.775 9.096 -1.468 1.00 0.00 C ATOM 1181 CG TYR A 82 -7.075 10.540 -1.800 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -8.363 10.942 -2.130 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -6.073 11.501 -1.780 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -8.643 12.262 -2.432 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -6.344 12.822 -2.082 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.630 13.197 -2.407 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.904 14.512 -2.708 1.00 0.00 O ATOM 0 H TYR A 82 -8.104 6.851 -2.617 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.110 8.844 -3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.612 8.680 -0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.902 9.056 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.159 10.212 -2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.065 11.211 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.650 12.559 -2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.553 13.557 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.081 15.041 -2.643 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.946 6.133 -1.609 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.063 5.046 -1.227 1.00 0.00 C ATOM 1199 C GLY A 83 -4.913 4.008 -2.321 1.00 0.00 C ATOM 1200 O GLY A 83 -5.857 3.736 -3.063 1.00 0.00 O ATOM 0 H GLY A 83 -6.901 6.053 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.082 5.450 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.449 4.567 -0.327 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.723 3.425 -2.421 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.450 2.411 -3.431 1.00 0.00 C ATOM 1206 C ILE A 84 -2.408 1.412 -2.937 1.00 0.00 C ATOM 1207 O ILE A 84 -1.504 1.766 -2.180 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.961 3.046 -4.748 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.780 1.975 -5.825 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.662 3.806 -4.523 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -3.133 2.451 -7.218 1.00 0.00 C ATOM 0 H ILE A 84 -2.932 3.638 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.388 1.888 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.716 3.753 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.744 1.636 -5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.400 1.113 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.331 4.248 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.825 4.595 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.898 3.120 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.981 1.639 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.177 2.763 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.496 3.294 -7.487 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.541 0.163 -3.370 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.611 -0.888 -2.971 1.00 0.00 C ATOM 1225 C PHE A 85 -0.653 -1.229 -4.109 1.00 0.00 C ATOM 1226 O PHE A 85 -1.068 -1.383 -5.258 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.377 -2.140 -2.540 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.191 -1.945 -1.294 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.268 -1.074 -1.283 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.880 -2.634 -0.131 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.019 -0.892 -0.137 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.627 -2.456 1.017 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.699 -1.584 1.014 1.00 0.00 C ATOM 0 H PHE A 85 -3.283 -0.147 -3.997 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.027 -0.520 -2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.037 -2.450 -3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.668 -2.952 -2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.524 -0.531 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.044 -3.318 -0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.856 -0.209 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.374 -2.998 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.285 -1.444 1.910 1.00 0.00 H new ATOM 1243 N ALA A 86 0.629 -1.348 -3.780 1.00 0.00 N ATOM 1244 CA ALA A 86 1.645 -1.672 -4.773 1.00 0.00 C ATOM 1245 C ALA A 86 2.630 -2.706 -4.233 1.00 0.00 C ATOM 1246 O ALA A 86 2.900 -2.750 -3.033 1.00 0.00 O ATOM 1247 CB ALA A 86 2.382 -0.414 -5.204 1.00 0.00 C ATOM 0 H ALA A 86 0.988 -1.225 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 86 1.145 -2.102 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.138 -0.671 -5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.674 0.292 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.863 0.040 -4.338 1.00 0.00 H new ATOM 1253 N PRO A 87 3.181 -3.558 -5.116 1.00 0.00 N ATOM 1254 CA PRO A 87 4.139 -4.594 -4.717 1.00 0.00 C ATOM 1255 C PRO A 87 5.311 -4.025 -3.924 1.00 0.00 C ATOM 1256 O PRO A 87 6.014 -3.133 -4.393 1.00 0.00 O ATOM 1257 CB PRO A 87 4.625 -5.166 -6.052 1.00 0.00 C ATOM 1258 CG PRO A 87 3.524 -4.876 -7.014 1.00 0.00 C ATOM 1259 CD PRO A 87 2.914 -3.577 -6.566 1.00 0.00 C ATOM 0 HA PRO A 87 3.684 -5.336 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.558 -4.699 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.814 -6.237 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.906 -4.797 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.784 -5.676 -7.012 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.369 -2.724 -7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.846 -3.540 -6.779 1.00 0.00 H new ATOM 1267 N LEU A 88 5.509 -4.547 -2.713 1.00 0.00 N ATOM 1268 CA LEU A 88 6.595 -4.091 -1.852 1.00 0.00 C ATOM 1269 C LEU A 88 7.896 -4.029 -2.635 1.00 0.00 C ATOM 1270 O LEU A 88 8.622 -3.035 -2.587 1.00 0.00 O ATOM 1271 CB LEU A 88 6.751 -5.024 -0.648 1.00 0.00 C ATOM 1272 CG LEU A 88 7.460 -4.409 0.559 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.650 -3.252 1.122 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.701 -5.464 1.629 1.00 0.00 C ATOM 0 H LEU A 88 4.932 -5.284 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 88 6.353 -3.092 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.762 -5.360 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.304 -5.909 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 88 8.426 -4.024 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.170 -2.827 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.528 -2.486 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.670 -3.612 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.206 -5.009 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.746 -5.879 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.323 -6.261 1.221 1.00 0.00 H new ATOM 1286 N SER A 89 8.168 -5.096 -3.378 1.00 0.00 N ATOM 1287 CA SER A 89 9.366 -5.166 -4.201 1.00 0.00 C ATOM 1288 C SER A 89 9.413 -3.973 -5.146 1.00 0.00 C ATOM 1289 O SER A 89 10.486 -3.556 -5.585 1.00 0.00 O ATOM 1290 CB SER A 89 9.392 -6.472 -4.998 1.00 0.00 C ATOM 1291 OG SER A 89 10.709 -6.986 -5.090 1.00 0.00 O ATOM 0 H SER A 89 7.574 -5.924 -3.426 1.00 0.00 H new ATOM 0 HA SER A 89 10.241 -5.141 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.744 -7.207 -4.520 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.995 -6.299 -5.998 1.00 0.00 H new ATOM 0 HG SER A 89 10.699 -7.821 -5.602 1.00 0.00 H new ATOM 1297 N LYS A 90 8.239 -3.417 -5.442 1.00 0.00 N ATOM 1298 CA LYS A 90 8.147 -2.259 -6.319 1.00 0.00 C ATOM 1299 C LYS A 90 8.192 -0.964 -5.508 1.00 0.00 C ATOM 1300 O LYS A 90 8.382 0.117 -6.063 1.00 0.00 O ATOM 1301 CB LYS A 90 6.861 -2.314 -7.148 1.00 0.00 C ATOM 1302 CG LYS A 90 7.008 -3.093 -8.446 1.00 0.00 C ATOM 1303 CD LYS A 90 7.104 -2.164 -9.646 1.00 0.00 C ATOM 1304 CE LYS A 90 7.255 -2.945 -10.942 1.00 0.00 C ATOM 1305 NZ LYS A 90 6.975 -2.098 -12.135 1.00 0.00 N ATOM 0 H LYS A 90 7.343 -3.751 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 90 9.002 -2.277 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.071 -2.767 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.543 -1.297 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.899 -3.719 -8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.156 -3.761 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.212 -1.540 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.955 -1.494 -9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.267 -3.345 -11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.576 -3.797 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.088 -2.666 -12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.001 -1.737 -12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.640 -1.299 -12.157 1.00 0.00 H new ATOM 1319 N ILE A 91 8.019 -1.081 -4.190 1.00 0.00 N ATOM 1320 CA ILE A 91 8.046 0.084 -3.314 1.00 0.00 C ATOM 1321 C ILE A 91 9.468 0.387 -2.852 1.00 0.00 C ATOM 1322 O ILE A 91 10.028 -0.332 -2.023 1.00 0.00 O ATOM 1323 CB ILE A 91 7.145 -0.115 -2.078 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.726 -0.492 -2.507 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.125 1.145 -1.225 1.00 0.00 C ATOM 1326 CD1 ILE A 91 5.092 0.508 -3.449 1.00 0.00 C ATOM 0 H ILE A 91 7.860 -1.967 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 91 7.666 0.925 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 91 7.554 -0.930 -1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.749 -1.469 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.101 -0.589 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.485 0.987 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.137 1.375 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.739 1.977 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.087 0.175 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.037 1.482 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.695 0.588 -4.354 1.00 0.00 H new ATOM 1338 N SER A 92 10.046 1.455 -3.390 1.00 0.00 N ATOM 1339 CA SER A 92 11.402 1.854 -3.033 1.00 0.00 C ATOM 1340 C SER A 92 11.386 3.087 -2.134 1.00 0.00 C ATOM 1341 O SER A 92 10.335 3.683 -1.900 1.00 0.00 O ATOM 1342 CB SER A 92 12.222 2.134 -4.294 1.00 0.00 C ATOM 1343 OG SER A 92 13.478 1.481 -4.242 1.00 0.00 O ATOM 0 H SER A 92 9.596 2.061 -4.076 1.00 0.00 H new ATOM 0 HA SER A 92 11.865 1.034 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.670 1.798 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.372 3.208 -4.403 1.00 0.00 H new ATOM 0 HG SER A 92 13.982 1.675 -5.060 1.00 0.00 H new ATOM 1349 N LYS A 93 12.558 3.463 -1.634 1.00 0.00 N ATOM 1350 CA LYS A 93 12.679 4.625 -0.761 1.00 0.00 C ATOM 1351 C LYS A 93 12.785 5.909 -1.577 1.00 0.00 C ATOM 1352 O LYS A 93 13.337 5.913 -2.677 1.00 0.00 O ATOM 1353 CB LYS A 93 13.900 4.481 0.148 1.00 0.00 C ATOM 1354 CG LYS A 93 13.808 5.303 1.425 1.00 0.00 C ATOM 1355 CD LYS A 93 14.337 6.714 1.219 1.00 0.00 C ATOM 1356 CE LYS A 93 13.395 7.754 1.805 1.00 0.00 C ATOM 1357 NZ LYS A 93 13.827 8.194 3.161 1.00 0.00 N ATOM 0 H LYS A 93 13.437 2.980 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 93 11.782 4.681 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.026 3.430 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.791 4.781 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.771 5.347 1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.375 4.813 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.318 6.807 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.470 6.902 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.349 8.617 1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.388 7.341 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.159 8.903 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.847 7.375 3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.778 8.612 3.104 1.00 0.00 H new ATOM 1371 N LEU A 94 12.254 6.997 -1.029 1.00 0.00 N ATOM 1372 CA LEU A 94 12.290 8.289 -1.707 1.00 0.00 C ATOM 1373 C LEU A 94 13.723 8.794 -1.840 1.00 0.00 C ATOM 1374 O LEU A 94 14.443 8.920 -0.849 1.00 0.00 O ATOM 1375 CB LEU A 94 11.445 9.311 -0.944 1.00 0.00 C ATOM 1376 CG LEU A 94 11.387 10.703 -1.576 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.586 10.669 -2.868 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.788 11.705 -0.601 1.00 0.00 C ATOM 0 H LEU A 94 11.794 7.011 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 94 11.876 8.159 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.429 8.926 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.840 9.404 0.068 1.00 0.00 H new ATOM 0 HG LEU A 94 12.404 11.018 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.555 11.668 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.057 9.981 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.570 10.334 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.754 12.690 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.778 11.394 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.402 11.750 0.298 1.00 0.00 H new