USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 596 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: B 47 ASN : amide:sc= 0.585 K(o=1.2,f=-0.59) USER MOD Set 1.2: B 51 ASN : amide:sc= 0.662 K(o=1.2,f=-0.37) USER MOD Set 2.1: A 47 ASN : amide:sc=0.000974 X(o=0.16,f=-0.065) USER MOD Set 2.2: A 51 ASN : amide:sc= 0.163 X(o=0.16,f=-0.065) USER MOD Set 3.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 21:sc= 1.27 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -164:sc= 1.27 USER MOD Single : B 15 THR OG1 : rot 4:sc= 1.27 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 76:sc= 0.449 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 44 TYR OH : rot -173:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.538 -0.017 -4.330 1.00 0.00 N ATOM 235 CA THR A 15 12.208 0.251 -3.815 1.00 0.00 C ATOM 236 C THR A 15 11.254 -0.752 -4.452 1.00 0.00 C ATOM 237 O THR A 15 11.530 -1.342 -5.496 1.00 0.00 O ATOM 238 CB THR A 15 11.820 1.709 -4.133 1.00 0.00 C ATOM 239 OG1 THR A 15 10.786 2.223 -3.317 1.00 0.00 O ATOM 240 CG2 THR A 15 11.414 1.951 -5.595 1.00 0.00 C ATOM 0 HA THR A 15 12.165 0.137 -2.732 1.00 0.00 H new ATOM 0 HB THR A 15 12.749 2.239 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.726 1.695 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.157 3.001 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.245 1.692 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.552 1.331 -5.840 1.00 0.00 H new ATOM 248 N VAL A 16 10.095 -0.886 -3.838 1.00 0.00 N ATOM 249 CA VAL A 16 9.049 -1.773 -4.296 1.00 0.00 C ATOM 250 C VAL A 16 7.961 -0.894 -4.875 1.00 0.00 C ATOM 251 O VAL A 16 7.716 0.202 -4.367 1.00 0.00 O ATOM 252 CB VAL A 16 8.479 -2.587 -3.126 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.761 -3.852 -3.631 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.522 -3.000 -2.099 1.00 0.00 C ATOM 0 H VAL A 16 9.851 -0.371 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 16 9.437 -2.476 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 16 7.776 -1.917 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.367 -4.410 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.941 -3.566 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.466 -4.476 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.043 -3.571 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.283 -3.615 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.989 -2.110 -1.676 1.00 0.00 H new ATOM 264 N VAL A 17 7.295 -1.378 -5.909 1.00 0.00 N ATOM 265 CA VAL A 17 6.204 -0.700 -6.568 1.00 0.00 C ATOM 266 C VAL A 17 5.194 -1.791 -6.893 1.00 0.00 C ATOM 267 O VAL A 17 5.466 -2.717 -7.658 1.00 0.00 O ATOM 268 CB VAL A 17 6.701 0.151 -7.742 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.330 -0.648 -8.888 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.540 1.033 -8.211 1.00 0.00 C ATOM 0 H VAL A 17 7.510 -2.285 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 17 5.711 0.048 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 17 7.527 0.767 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.653 0.035 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.190 -1.204 -8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.595 -1.345 -9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.867 1.650 -9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.709 0.403 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.216 1.675 -7.391 1.00 0.00 H new ATOM 280 N ARG A 18 4.067 -1.762 -6.201 1.00 0.00 N ATOM 281 CA ARG A 18 3.003 -2.752 -6.376 1.00 0.00 C ATOM 282 C ARG A 18 1.646 -2.073 -6.200 1.00 0.00 C ATOM 283 O ARG A 18 1.604 -0.855 -5.987 1.00 0.00 O ATOM 284 CB ARG A 18 3.289 -3.918 -5.404 1.00 0.00 C ATOM 285 CG ARG A 18 2.800 -5.292 -5.884 1.00 0.00 C ATOM 286 CD ARG A 18 3.459 -6.373 -5.012 1.00 0.00 C ATOM 287 NE ARG A 18 3.067 -7.744 -5.387 1.00 0.00 N ATOM 288 CZ ARG A 18 3.485 -8.408 -6.476 1.00 0.00 C ATOM 289 NH1 ARG A 18 4.330 -7.849 -7.334 1.00 0.00 N ATOM 290 NH2 ARG A 18 3.059 -9.637 -6.721 1.00 0.00 N ATOM 0 H ARG A 18 3.858 -1.052 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 18 2.976 -3.177 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.364 -3.971 -5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.821 -3.696 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.714 -5.355 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.058 -5.441 -6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.542 -6.279 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.195 -6.199 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 18 2.422 -8.230 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.671 -6.902 -7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.638 -8.367 -8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.407 -10.088 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.383 -10.133 -7.551 1.00 0.00 H new ATOM 304 N THR A 19 0.545 -2.820 -6.238 1.00 0.00 N ATOM 305 CA THR A 19 -0.791 -2.259 -6.099 1.00 0.00 C ATOM 306 C THR A 19 -1.496 -2.850 -4.878 1.00 0.00 C ATOM 307 O THR A 19 -1.833 -4.037 -4.846 1.00 0.00 O ATOM 308 CB THR A 19 -1.554 -2.496 -7.404 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.771 -2.124 -8.523 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.859 -1.711 -7.435 1.00 0.00 C ATOM 0 H THR A 19 0.557 -3.832 -6.366 1.00 0.00 H new ATOM 0 HA THR A 19 -0.742 -1.184 -5.925 1.00 0.00 H new ATOM 0 HB THR A 19 -1.777 -3.562 -7.452 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.278 -2.286 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.376 -1.902 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.491 -2.023 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.645 -0.646 -7.348 1.00 0.00 H new ATOM 318 N LEU A 20 -1.734 -2.019 -3.863 1.00 0.00 N ATOM 319 CA LEU A 20 -2.394 -2.369 -2.612 1.00 0.00 C ATOM 320 C LEU A 20 -3.802 -1.782 -2.652 1.00 0.00 C ATOM 321 O LEU A 20 -3.952 -0.561 -2.537 1.00 0.00 O ATOM 322 CB LEU A 20 -1.607 -1.809 -1.400 1.00 0.00 C ATOM 323 CG LEU A 20 -1.483 -2.718 -0.166 1.00 0.00 C ATOM 324 CD1 LEU A 20 -2.792 -3.401 0.252 1.00 0.00 C ATOM 325 CD2 LEU A 20 -0.379 -3.759 -0.374 1.00 0.00 C ATOM 0 H LEU A 20 -1.457 -1.038 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.436 -3.452 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.602 -1.557 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.082 -0.879 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.219 -2.057 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.614 -4.023 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.538 -2.643 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.155 -4.023 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.306 -4.393 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.617 -4.373 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.572 -3.253 -0.537 1.00 0.00 H new ATOM 337 N ARG A 21 -4.814 -2.597 -2.949 1.00 0.00 N ATOM 338 CA ARG A 21 -6.191 -2.116 -2.962 1.00 0.00 C ATOM 339 C ARG A 21 -6.740 -2.184 -1.538 1.00 0.00 C ATOM 340 O ARG A 21 -6.247 -2.974 -0.729 1.00 0.00 O ATOM 341 CB ARG A 21 -7.079 -2.942 -3.899 1.00 0.00 C ATOM 342 CG ARG A 21 -6.623 -2.920 -5.368 1.00 0.00 C ATOM 343 CD ARG A 21 -7.799 -2.631 -6.304 1.00 0.00 C ATOM 344 NE ARG A 21 -7.567 -3.162 -7.657 1.00 0.00 N ATOM 345 CZ ARG A 21 -8.495 -3.279 -8.614 1.00 0.00 C ATOM 346 NH1 ARG A 21 -9.702 -2.761 -8.459 1.00 0.00 N ATOM 347 NH2 ARG A 21 -8.206 -3.930 -9.733 1.00 0.00 N ATOM 0 H ARG A 21 -4.706 -3.584 -3.182 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.197 -1.091 -3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.098 -3.974 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.101 -2.567 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.852 -2.161 -5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.174 -3.879 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.707 -3.071 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.963 -1.555 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.620 -3.466 -7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.937 -2.263 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.398 -2.859 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.280 -4.338 -9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.910 -4.022 -10.466 1.00 0.00 H new ATOM 361 N PHE A 22 -7.768 -1.392 -1.247 1.00 0.00 N ATOM 362 CA PHE A 22 -8.429 -1.325 0.055 1.00 0.00 C ATOM 363 C PHE A 22 -9.923 -1.197 -0.200 1.00 0.00 C ATOM 364 O PHE A 22 -10.304 -0.697 -1.264 1.00 0.00 O ATOM 365 CB PHE A 22 -7.921 -0.121 0.864 1.00 0.00 C ATOM 366 CG PHE A 22 -6.466 -0.207 1.289 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.444 0.227 0.423 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.128 -0.704 2.561 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.100 0.161 0.827 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.788 -0.733 2.978 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.767 -0.305 2.111 1.00 0.00 C ATOM 0 H PHE A 22 -8.178 -0.758 -1.933 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.211 -2.222 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.058 0.782 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.539 -0.013 1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.694 0.612 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.904 -1.065 3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.319 0.470 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.540 -1.085 3.968 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.735 -0.334 2.429 1.00 0.00 H new ATOM 381 N SER A 23 -10.765 -1.659 0.722 1.00 0.00 N ATOM 382 CA SER A 23 -12.222 -1.572 0.568 1.00 0.00 C ATOM 383 C SER A 23 -12.673 -0.163 1.019 1.00 0.00 C ATOM 384 O SER A 23 -11.847 0.548 1.589 1.00 0.00 O ATOM 385 CB SER A 23 -12.867 -2.754 1.301 1.00 0.00 C ATOM 386 OG SER A 23 -12.071 -3.920 1.132 1.00 0.00 O ATOM 0 H SER A 23 -10.464 -2.101 1.591 1.00 0.00 H new ATOM 0 HA SER A 23 -12.553 -1.667 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.970 -2.524 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.871 -2.929 0.914 1.00 0.00 H new ATOM 0 HG SER A 23 -12.487 -4.671 1.604 1.00 0.00 H new ATOM 392 N PRO A 24 -13.934 0.276 0.838 1.00 0.00 N ATOM 393 CA PRO A 24 -14.347 1.631 1.215 1.00 0.00 C ATOM 394 C PRO A 24 -14.263 1.931 2.708 1.00 0.00 C ATOM 395 O PRO A 24 -13.708 2.958 3.089 1.00 0.00 O ATOM 396 CB PRO A 24 -15.774 1.801 0.693 1.00 0.00 C ATOM 397 CG PRO A 24 -16.290 0.374 0.579 1.00 0.00 C ATOM 398 CD PRO A 24 -15.041 -0.426 0.211 1.00 0.00 C ATOM 0 HA PRO A 24 -13.654 2.347 0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.382 2.393 1.377 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.790 2.310 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.727 0.029 1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.063 0.286 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.111 -1.452 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.912 -0.477 -0.870 1.00 0.00 H new ATOM 406 N VAL A 25 -14.797 1.044 3.543 1.00 0.00 N ATOM 407 CA VAL A 25 -14.814 1.174 4.997 1.00 0.00 C ATOM 408 C VAL A 25 -13.385 1.139 5.553 1.00 0.00 C ATOM 409 O VAL A 25 -13.044 1.853 6.500 1.00 0.00 O ATOM 410 CB VAL A 25 -15.680 0.017 5.538 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.721 -0.059 7.068 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.126 0.136 5.039 1.00 0.00 C ATOM 0 H VAL A 25 -15.244 0.188 3.216 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.237 2.128 5.310 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.205 -0.889 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.348 -0.896 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.711 -0.203 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.133 0.868 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.716 -0.691 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.552 1.080 5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.139 0.103 3.950 1.00 0.00 H new ATOM 422 N GLU A 26 -12.548 0.295 4.952 1.00 0.00 N ATOM 423 CA GLU A 26 -11.155 0.087 5.312 1.00 0.00 C ATOM 424 C GLU A 26 -10.400 1.392 5.057 1.00 0.00 C ATOM 425 O GLU A 26 -9.738 1.930 5.939 1.00 0.00 O ATOM 426 CB GLU A 26 -10.572 -1.061 4.479 1.00 0.00 C ATOM 427 CG GLU A 26 -11.420 -2.338 4.511 1.00 0.00 C ATOM 428 CD GLU A 26 -11.169 -3.246 5.703 1.00 0.00 C ATOM 429 OE1 GLU A 26 -11.786 -3.020 6.771 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.460 -4.260 5.508 1.00 0.00 O ATOM 0 H GLU A 26 -12.840 -0.286 4.166 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.062 -0.185 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.467 -0.731 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.571 -1.291 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.473 -2.057 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.234 -2.903 3.598 1.00 0.00 H new ATOM 437 N ASP A 27 -10.537 1.895 3.832 1.00 0.00 N ATOM 438 CA ASP A 27 -9.949 3.118 3.306 1.00 0.00 C ATOM 439 C ASP A 27 -10.402 4.337 4.096 1.00 0.00 C ATOM 440 O ASP A 27 -9.602 5.222 4.385 1.00 0.00 O ATOM 441 CB ASP A 27 -10.400 3.246 1.852 1.00 0.00 C ATOM 442 CG ASP A 27 -10.228 4.659 1.315 1.00 0.00 C ATOM 443 OD1 ASP A 27 -9.095 5.177 1.311 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.261 5.271 0.943 1.00 0.00 O ATOM 0 H ASP A 27 -11.105 1.420 3.131 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.863 3.069 3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.828 2.553 1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.447 2.955 1.772 1.00 0.00 H new ATOM 449 N GLU A 28 -11.688 4.408 4.431 1.00 0.00 N ATOM 450 CA GLU A 28 -12.265 5.496 5.197 1.00 0.00 C ATOM 451 C GLU A 28 -11.627 5.487 6.585 1.00 0.00 C ATOM 452 O GLU A 28 -11.145 6.523 7.040 1.00 0.00 O ATOM 453 CB GLU A 28 -13.789 5.333 5.240 1.00 0.00 C ATOM 454 CG GLU A 28 -14.438 6.502 5.985 1.00 0.00 C ATOM 455 CD GLU A 28 -15.963 6.426 6.039 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.579 5.448 5.571 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.560 7.331 6.669 1.00 0.00 O ATOM 0 H GLU A 28 -12.367 3.693 4.169 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.065 6.464 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.183 5.279 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.046 4.395 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.049 6.534 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.147 7.435 5.503 1.00 0.00 H new ATOM 464 N THR A 29 -11.587 4.325 7.244 1.00 0.00 N ATOM 465 CA THR A 29 -10.992 4.188 8.564 1.00 0.00 C ATOM 466 C THR A 29 -9.522 4.620 8.501 1.00 0.00 C ATOM 467 O THR A 29 -9.105 5.446 9.310 1.00 0.00 O ATOM 468 CB THR A 29 -11.173 2.748 9.074 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.554 2.430 9.141 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.558 2.555 10.463 1.00 0.00 C ATOM 0 H THR A 29 -11.968 3.456 6.871 1.00 0.00 H new ATOM 0 HA THR A 29 -11.493 4.838 9.281 1.00 0.00 H new ATOM 0 HB THR A 29 -10.662 2.088 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.902 2.292 8.235 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.707 1.525 10.787 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.490 2.771 10.422 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.038 3.231 11.171 1.00 0.00 H new ATOM 478 N ILE A 30 -8.747 4.106 7.538 1.00 0.00 N ATOM 479 CA ILE A 30 -7.339 4.450 7.374 1.00 0.00 C ATOM 480 C ILE A 30 -7.206 5.955 7.175 1.00 0.00 C ATOM 481 O ILE A 30 -6.348 6.570 7.793 1.00 0.00 O ATOM 482 CB ILE A 30 -6.710 3.646 6.209 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.459 2.199 6.680 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.386 4.286 5.722 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.303 1.199 5.530 1.00 0.00 C ATOM 0 H ILE A 30 -9.087 3.435 6.849 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.788 4.178 8.274 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.402 3.653 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.559 2.177 7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.287 1.884 7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.975 3.694 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.579 5.301 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.671 4.314 6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.129 0.202 5.936 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.212 1.192 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.457 1.490 4.907 1.00 0.00 H new ATOM 497 N ARG A 31 -8.022 6.563 6.315 1.00 0.00 N ATOM 498 CA ARG A 31 -7.963 7.996 6.054 1.00 0.00 C ATOM 499 C ARG A 31 -8.222 8.787 7.323 1.00 0.00 C ATOM 500 O ARG A 31 -7.463 9.706 7.615 1.00 0.00 O ATOM 501 CB ARG A 31 -8.962 8.363 4.950 1.00 0.00 C ATOM 502 CG ARG A 31 -9.153 9.877 4.770 1.00 0.00 C ATOM 503 CD ARG A 31 -10.344 10.169 3.858 1.00 0.00 C ATOM 504 NE ARG A 31 -10.935 11.468 4.207 1.00 0.00 N ATOM 505 CZ ARG A 31 -11.989 12.051 3.635 1.00 0.00 C ATOM 506 NH1 ARG A 31 -12.514 11.561 2.515 1.00 0.00 N ATOM 507 NH2 ARG A 31 -12.501 13.122 4.225 1.00 0.00 N ATOM 0 H ARG A 31 -8.741 6.075 5.781 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.961 8.254 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.623 7.934 4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.926 7.908 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.309 10.346 5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.249 10.314 4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.023 10.174 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.091 9.381 3.957 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.491 11.979 4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.110 10.730 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.320 12.017 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.089 13.475 5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.307 13.593 3.815 1.00 0.00 H new ATOM 521 N LYS A 32 -9.307 8.490 8.041 1.00 0.00 N ATOM 522 CA LYS A 32 -9.626 9.223 9.259 1.00 0.00 C ATOM 523 C LYS A 32 -8.514 9.033 10.277 1.00 0.00 C ATOM 524 O LYS A 32 -8.084 10.018 10.865 1.00 0.00 O ATOM 525 CB LYS A 32 -11.006 8.836 9.822 1.00 0.00 C ATOM 526 CG LYS A 32 -12.154 9.656 9.204 1.00 0.00 C ATOM 527 CD LYS A 32 -12.462 9.294 7.745 1.00 0.00 C ATOM 528 CE LYS A 32 -13.517 10.189 7.089 1.00 0.00 C ATOM 529 NZ LYS A 32 -14.847 10.045 7.710 1.00 0.00 N ATOM 0 H LYS A 32 -9.971 7.754 7.800 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.692 10.284 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.184 7.776 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.005 8.978 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.054 9.511 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.902 10.715 9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.541 9.351 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.801 8.259 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.199 11.229 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.587 9.946 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.524 10.671 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.166 9.059 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.790 10.303 8.716 1.00 0.00 H new ATOM 543 N LYS A 33 -8.020 7.810 10.471 1.00 0.00 N ATOM 544 CA LYS A 33 -6.960 7.532 11.431 1.00 0.00 C ATOM 545 C LYS A 33 -5.666 8.235 11.025 1.00 0.00 C ATOM 546 O LYS A 33 -4.978 8.758 11.892 1.00 0.00 O ATOM 547 CB LYS A 33 -6.804 6.013 11.586 1.00 0.00 C ATOM 548 CG LYS A 33 -6.091 5.589 12.876 1.00 0.00 C ATOM 549 CD LYS A 33 -6.837 5.986 14.156 1.00 0.00 C ATOM 550 CE LYS A 33 -6.284 5.168 15.325 1.00 0.00 C ATOM 551 NZ LYS A 33 -6.963 5.483 16.593 1.00 0.00 N ATOM 0 H LYS A 33 -8.346 6.986 9.965 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.223 7.934 12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.791 5.552 11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.249 5.626 10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.956 4.507 12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.096 6.035 12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.713 7.052 14.349 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.906 5.805 14.041 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.396 4.106 15.108 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.216 5.361 15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.557 4.906 17.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.835 6.491 16.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.978 5.275 16.504 1.00 0.00 H new ATOM 565 N ALA A 34 -5.342 8.282 9.733 1.00 0.00 N ATOM 566 CA ALA A 34 -4.160 8.933 9.186 1.00 0.00 C ATOM 567 C ALA A 34 -4.253 10.434 9.473 1.00 0.00 C ATOM 568 O ALA A 34 -3.354 11.015 10.087 1.00 0.00 O ATOM 569 CB ALA A 34 -4.074 8.640 7.682 1.00 0.00 C ATOM 0 H ALA A 34 -5.921 7.849 9.013 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.251 8.552 9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.191 9.125 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.005 7.564 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.965 9.023 7.185 1.00 0.00 H new ATOM 575 N GLU A 35 -5.362 11.050 9.054 1.00 0.00 N ATOM 576 CA GLU A 35 -5.625 12.472 9.223 1.00 0.00 C ATOM 577 C GLU A 35 -5.610 12.848 10.712 1.00 0.00 C ATOM 578 O GLU A 35 -5.059 13.883 11.082 1.00 0.00 O ATOM 579 CB GLU A 35 -6.937 12.835 8.507 1.00 0.00 C ATOM 580 CG GLU A 35 -7.267 14.339 8.482 1.00 0.00 C ATOM 581 CD GLU A 35 -6.393 15.152 7.517 1.00 0.00 C ATOM 582 OE1 GLU A 35 -5.312 15.626 7.915 1.00 0.00 O ATOM 583 OE2 GLU A 35 -6.830 15.406 6.365 1.00 0.00 O ATOM 0 H GLU A 35 -6.117 10.557 8.577 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.835 13.063 8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.886 12.472 7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.757 12.306 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.313 14.467 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.153 14.743 9.488 1.00 0.00 H new ATOM 590 N ASP A 36 -6.172 11.995 11.568 1.00 0.00 N ATOM 591 CA ASP A 36 -6.253 12.168 13.014 1.00 0.00 C ATOM 592 C ASP A 36 -4.887 11.997 13.682 1.00 0.00 C ATOM 593 O ASP A 36 -4.558 12.714 14.629 1.00 0.00 O ATOM 594 CB ASP A 36 -7.246 11.138 13.563 1.00 0.00 C ATOM 595 CG ASP A 36 -7.360 11.167 15.079 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.485 12.269 15.656 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.419 10.083 15.698 1.00 0.00 O ATOM 0 H ASP A 36 -6.603 11.125 11.255 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.590 13.181 13.235 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.228 11.321 13.127 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.938 10.141 13.247 1.00 0.00 H new ATOM 602 N SER A 37 -4.070 11.066 13.188 1.00 0.00 N ATOM 603 CA SER A 37 -2.739 10.781 13.704 1.00 0.00 C ATOM 604 C SER A 37 -1.727 11.842 13.257 1.00 0.00 C ATOM 605 O SER A 37 -0.649 11.931 13.848 1.00 0.00 O ATOM 606 CB SER A 37 -2.313 9.373 13.245 1.00 0.00 C ATOM 607 OG SER A 37 -1.090 8.956 13.829 1.00 0.00 O ATOM 0 H SER A 37 -4.327 10.476 12.397 1.00 0.00 H new ATOM 0 HA SER A 37 -2.765 10.811 14.793 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.096 8.659 13.501 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.215 9.363 12.159 1.00 0.00 H new ATOM 0 HG SER A 37 -0.864 8.058 13.508 1.00 0.00 H new ATOM 613 N GLY A 38 -2.047 12.664 12.254 1.00 0.00 N ATOM 614 CA GLY A 38 -1.125 13.679 11.770 1.00 0.00 C ATOM 615 C GLY A 38 -0.056 13.036 10.885 1.00 0.00 C ATOM 616 O GLY A 38 1.107 13.435 10.925 1.00 0.00 O ATOM 0 H GLY A 38 -2.941 12.641 11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.669 14.436 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.655 14.186 12.612 1.00 0.00 H new ATOM 620 N LEU A 39 -0.414 11.995 10.126 1.00 0.00 N ATOM 621 CA LEU A 39 0.470 11.270 9.226 1.00 0.00 C ATOM 622 C LEU A 39 -0.303 11.044 7.944 1.00 0.00 C ATOM 623 O LEU A 39 -1.461 10.636 8.005 1.00 0.00 O ATOM 624 CB LEU A 39 0.837 9.889 9.802 1.00 0.00 C ATOM 625 CG LEU A 39 1.644 9.903 11.109 1.00 0.00 C ATOM 626 CD1 LEU A 39 1.734 8.473 11.647 1.00 0.00 C ATOM 627 CD2 LEU A 39 3.058 10.459 10.911 1.00 0.00 C ATOM 0 H LEU A 39 -1.365 11.625 10.126 1.00 0.00 H new ATOM 0 HA LEU A 39 1.387 11.840 9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.084 9.331 9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.407 9.343 9.051 1.00 0.00 H new ATOM 0 HG LEU A 39 1.131 10.556 11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.305 8.469 12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.731 8.092 11.836 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.231 7.839 10.913 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.590 10.449 11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.594 9.842 10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.998 11.482 10.540 1.00 0.00 H new ATOM 639 N THR A 40 0.287 11.315 6.787 1.00 0.00 N ATOM 640 CA THR A 40 -0.397 11.089 5.520 1.00 0.00 C ATOM 641 C THR A 40 -0.679 9.582 5.408 1.00 0.00 C ATOM 642 O THR A 40 0.090 8.773 5.927 1.00 0.00 O ATOM 643 CB THR A 40 0.470 11.648 4.380 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.120 11.422 3.115 1.00 0.00 O ATOM 645 CG2 THR A 40 1.896 11.085 4.365 1.00 0.00 C ATOM 0 H THR A 40 1.232 11.689 6.699 1.00 0.00 H new ATOM 0 HA THR A 40 -1.353 11.609 5.458 1.00 0.00 H new ATOM 0 HB THR A 40 0.531 12.719 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.457 11.792 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.451 11.522 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.394 11.329 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.858 10.002 4.246 1.00 0.00 H new ATOM 653 N VAL A 41 -1.746 9.191 4.707 1.00 0.00 N ATOM 654 CA VAL A 41 -2.157 7.800 4.508 1.00 0.00 C ATOM 655 C VAL A 41 -0.970 6.915 4.097 1.00 0.00 C ATOM 656 O VAL A 41 -0.787 5.848 4.683 1.00 0.00 O ATOM 657 CB VAL A 41 -3.346 7.746 3.518 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.648 6.333 2.998 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.619 8.306 4.170 1.00 0.00 C ATOM 0 H VAL A 41 -2.368 9.856 4.247 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.507 7.384 5.453 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.044 8.357 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.492 6.371 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.773 5.942 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.893 5.681 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.443 8.259 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.867 7.714 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.452 9.342 4.464 1.00 0.00 H new ATOM 669 N SER A 42 -0.125 7.357 3.159 1.00 0.00 N ATOM 670 CA SER A 42 1.021 6.572 2.709 1.00 0.00 C ATOM 671 C SER A 42 1.949 6.194 3.872 1.00 0.00 C ATOM 672 O SER A 42 2.398 5.049 3.980 1.00 0.00 O ATOM 673 CB SER A 42 1.769 7.324 1.593 1.00 0.00 C ATOM 674 OG SER A 42 2.161 8.628 1.994 1.00 0.00 O ATOM 0 H SER A 42 -0.218 8.261 2.696 1.00 0.00 H new ATOM 0 HA SER A 42 0.653 5.632 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.652 6.755 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.130 7.393 0.713 1.00 0.00 H new ATOM 0 HG SER A 42 2.633 9.069 1.257 1.00 0.00 H new ATOM 680 N ALA A 43 2.245 7.171 4.733 1.00 0.00 N ATOM 681 CA ALA A 43 3.087 7.005 5.901 1.00 0.00 C ATOM 682 C ALA A 43 2.344 6.188 6.952 1.00 0.00 C ATOM 683 O ALA A 43 2.944 5.298 7.532 1.00 0.00 O ATOM 684 CB ALA A 43 3.469 8.366 6.484 1.00 0.00 C ATOM 0 H ALA A 43 1.892 8.122 4.626 1.00 0.00 H new ATOM 0 HA ALA A 43 3.998 6.484 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.101 8.222 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.012 8.943 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.566 8.905 6.772 1.00 0.00 H new ATOM 690 N TYR A 44 1.062 6.479 7.199 1.00 0.00 N ATOM 691 CA TYR A 44 0.230 5.782 8.169 1.00 0.00 C ATOM 692 C TYR A 44 0.303 4.277 7.905 1.00 0.00 C ATOM 693 O TYR A 44 0.566 3.512 8.832 1.00 0.00 O ATOM 694 CB TYR A 44 -1.195 6.353 8.153 1.00 0.00 C ATOM 695 CG TYR A 44 -2.136 5.631 9.095 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.091 5.859 10.484 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.976 4.632 8.582 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.837 5.041 11.353 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.752 3.833 9.437 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.646 4.005 10.833 1.00 0.00 C ATOM 701 OH TYR A 44 -4.235 3.117 11.673 1.00 0.00 O ATOM 0 H TYR A 44 0.567 7.227 6.713 1.00 0.00 H new ATOM 0 HA TYR A 44 0.599 5.941 9.182 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.160 7.409 8.423 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.591 6.296 7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.485 6.660 10.882 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.027 4.475 7.515 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.791 5.205 12.419 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.424 3.093 9.029 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.538 2.336 11.164 1.00 0.00 H new ATOM 711 N ILE A 45 0.122 3.856 6.647 1.00 0.00 N ATOM 712 CA ILE A 45 0.171 2.454 6.242 1.00 0.00 C ATOM 713 C ILE A 45 1.490 1.804 6.645 1.00 0.00 C ATOM 714 O ILE A 45 1.500 0.886 7.458 1.00 0.00 O ATOM 715 CB ILE A 45 -0.105 2.304 4.734 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.574 2.598 4.360 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.299 0.900 4.237 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.587 1.614 4.946 1.00 0.00 C ATOM 0 H ILE A 45 -0.065 4.494 5.873 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.620 1.924 6.772 1.00 0.00 H new ATOM 0 HB ILE A 45 0.510 3.053 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.827 3.604 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.667 2.592 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.094 0.819 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.363 0.743 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.274 0.145 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.592 1.896 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.365 0.608 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.527 1.635 6.034 1.00 0.00 H new ATOM 730 N ARG A 46 2.599 2.239 6.043 1.00 0.00 N ATOM 731 CA ARG A 46 3.888 1.633 6.342 1.00 0.00 C ATOM 732 C ARG A 46 4.236 1.733 7.821 1.00 0.00 C ATOM 733 O ARG A 46 4.634 0.732 8.392 1.00 0.00 O ATOM 734 CB ARG A 46 4.963 2.165 5.390 1.00 0.00 C ATOM 735 CG ARG A 46 5.425 3.592 5.695 1.00 0.00 C ATOM 736 CD ARG A 46 5.944 4.254 4.423 1.00 0.00 C ATOM 737 NE ARG A 46 6.883 5.329 4.737 1.00 0.00 N ATOM 738 CZ ARG A 46 7.395 6.185 3.854 1.00 0.00 C ATOM 739 NH1 ARG A 46 6.962 6.193 2.598 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.357 7.007 4.245 1.00 0.00 N ATOM 0 H ARG A 46 2.627 2.995 5.359 1.00 0.00 H new ATOM 0 HA ARG A 46 3.830 0.561 6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.826 1.500 5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.578 2.130 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.598 4.171 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.209 3.576 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.435 3.510 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.108 4.653 3.849 1.00 0.00 H new ATOM 0 HE ARG A 46 7.169 5.432 5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.234 5.541 2.305 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.358 6.851 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.693 6.977 5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.762 7.670 3.584 1.00 0.00 H new ATOM 754 N ASN A 47 4.053 2.889 8.453 1.00 0.00 N ATOM 755 CA ASN A 47 4.369 3.080 9.860 1.00 0.00 C ATOM 756 C ASN A 47 3.652 2.055 10.738 1.00 0.00 C ATOM 757 O ASN A 47 4.291 1.438 11.586 1.00 0.00 O ATOM 758 CB ASN A 47 4.045 4.515 10.274 1.00 0.00 C ATOM 759 CG ASN A 47 4.489 4.734 11.703 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.668 4.957 11.955 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.571 4.673 12.647 1.00 0.00 N ATOM 0 H ASN A 47 3.679 3.722 7.999 1.00 0.00 H new ATOM 0 HA ASN A 47 5.437 2.917 10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.549 5.219 9.612 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.975 4.700 10.181 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.833 4.813 13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.599 4.485 12.402 1.00 0.00 H new ATOM 768 N ALA A 48 2.349 1.856 10.532 1.00 0.00 N ATOM 769 CA ALA A 48 1.564 0.895 11.301 1.00 0.00 C ATOM 770 C ALA A 48 1.982 -0.550 11.007 1.00 0.00 C ATOM 771 O ALA A 48 1.859 -1.415 11.870 1.00 0.00 O ATOM 772 CB ALA A 48 0.095 1.046 10.917 1.00 0.00 C ATOM 0 H ALA A 48 1.810 2.358 9.826 1.00 0.00 H new ATOM 0 HA ALA A 48 1.730 1.097 12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.504 0.334 11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.237 2.060 11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.024 0.853 9.851 1.00 0.00 H new ATOM 778 N ALA A 49 2.441 -0.810 9.779 1.00 0.00 N ATOM 779 CA ALA A 49 2.872 -2.120 9.329 1.00 0.00 C ATOM 780 C ALA A 49 4.268 -2.509 9.832 1.00 0.00 C ATOM 781 O ALA A 49 4.551 -3.693 9.971 1.00 0.00 O ATOM 782 CB ALA A 49 2.856 -2.143 7.801 1.00 0.00 C ATOM 0 H ALA A 49 2.522 -0.092 9.059 1.00 0.00 H new ATOM 0 HA ALA A 49 2.178 -2.850 9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.178 -3.123 7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.845 -1.943 7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.533 -1.379 7.419 1.00 0.00 H new ATOM 788 N LEU A 50 5.157 -1.549 10.073 1.00 0.00 N ATOM 789 CA LEU A 50 6.523 -1.816 10.520 1.00 0.00 C ATOM 790 C LEU A 50 6.658 -1.886 12.040 1.00 0.00 C ATOM 791 O LEU A 50 7.469 -2.662 12.546 1.00 0.00 O ATOM 792 CB LEU A 50 7.437 -0.680 10.034 1.00 0.00 C ATOM 793 CG LEU A 50 7.484 -0.485 8.508 1.00 0.00 C ATOM 794 CD1 LEU A 50 7.779 0.985 8.221 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.541 -1.347 7.826 1.00 0.00 C ATOM 0 H LEU A 50 4.949 -0.556 9.963 1.00 0.00 H new ATOM 0 HA LEU A 50 6.801 -2.786 10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.107 0.252 10.493 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.449 -0.871 10.391 1.00 0.00 H new ATOM 0 HG LEU A 50 6.518 -0.791 8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.817 1.145 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.993 1.605 8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.738 1.256 8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.523 -1.163 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.525 -1.096 8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.331 -2.399 8.017 1.00 0.00 H new ATOM 807 N ASN A 51 5.956 -1.011 12.757 1.00 0.00 N ATOM 808 CA ASN A 51 6.008 -0.935 14.215 1.00 0.00 C ATOM 809 C ASN A 51 5.342 -2.114 14.883 1.00 0.00 C ATOM 810 O ASN A 51 5.985 -2.762 15.739 1.00 0.00 O ATOM 811 CB ASN A 51 5.372 0.368 14.702 1.00 0.00 C ATOM 812 CG ASN A 51 6.296 1.546 14.462 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.444 1.559 14.901 1.00 0.00 O ATOM 814 ND2 ASN A 51 5.859 2.521 13.695 1.00 0.00 N ATOM 0 H ASN A 51 5.327 -0.327 12.336 1.00 0.00 H new ATOM 0 HA ASN A 51 7.061 -0.957 14.495 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.427 0.531 14.184 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.144 0.291 15.765 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.475 3.299 13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.904 2.499 13.337 1.00 0.00 H new ATOM 1055 N THR B 15 -13.496 0.615 -4.051 1.00 0.00 N ATOM 1056 CA THR B 15 -12.170 0.212 -3.628 1.00 0.00 C ATOM 1057 C THR B 15 -11.186 1.309 -4.042 1.00 0.00 C ATOM 1058 O THR B 15 -11.461 2.134 -4.920 1.00 0.00 O ATOM 1059 CB THR B 15 -11.823 -1.155 -4.255 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.766 -1.826 -3.588 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.477 -1.065 -5.751 1.00 0.00 C ATOM 0 HA THR B 15 -12.117 0.090 -2.546 1.00 0.00 H new ATOM 0 HB THR B 15 -12.739 -1.734 -4.137 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.493 -1.307 -2.803 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.243 -2.060 -6.131 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.328 -0.659 -6.298 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.614 -0.413 -5.886 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.007 1.277 -3.440 1.00 0.00 N ATOM 1070 CA VAL B 16 -8.914 2.198 -3.703 1.00 0.00 C ATOM 1071 C VAL B 16 -7.867 1.410 -4.478 1.00 0.00 C ATOM 1072 O VAL B 16 -7.800 0.183 -4.366 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.305 2.713 -2.386 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.395 3.934 -2.602 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.374 3.107 -1.375 1.00 0.00 C ATOM 0 H VAL B 16 -9.778 0.583 -2.729 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.265 3.065 -4.263 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.718 1.879 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.990 4.260 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.576 3.664 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.973 4.745 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.897 3.464 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.996 3.898 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.995 2.241 -1.145 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.022 2.108 -5.221 1.00 0.00 N ATOM 1086 CA VAL B 17 -5.949 1.534 -5.998 1.00 0.00 C ATOM 1087 C VAL B 17 -4.882 2.616 -6.056 1.00 0.00 C ATOM 1088 O VAL B 17 -5.165 3.731 -6.503 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.494 1.076 -7.362 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -6.959 2.197 -8.297 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.467 0.210 -8.079 1.00 0.00 C ATOM 0 H VAL B 17 -7.071 3.124 -5.298 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.510 0.633 -5.569 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.391 0.506 -7.121 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.324 1.765 -9.229 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.761 2.760 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.124 2.864 -8.509 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -5.867 -0.106 -9.042 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.553 0.784 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.244 -0.668 -7.473 1.00 0.00 H new ATOM 1101 N ARG B 18 -3.673 2.346 -5.559 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.626 3.373 -5.599 1.00 0.00 C ATOM 1103 C ARG B 18 -1.247 2.763 -5.803 1.00 0.00 C ATOM 1104 O ARG B 18 -1.108 1.534 -5.849 1.00 0.00 O ATOM 1105 CB ARG B 18 -2.758 4.278 -4.353 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.377 5.735 -4.662 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.988 6.689 -3.636 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.397 8.040 -3.712 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.986 9.178 -4.107 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -4.238 9.208 -4.546 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -2.278 10.300 -4.095 1.00 0.00 N ATOM 0 H ARG B 18 -3.399 1.458 -5.138 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.760 4.015 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.783 4.241 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.119 3.896 -3.557 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.292 5.839 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.721 6.001 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -4.064 6.755 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.841 6.286 -2.634 1.00 0.00 H new ATOM 0 HE ARG B 18 -1.420 8.117 -3.429 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -4.784 8.347 -4.591 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.655 10.092 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -1.305 10.286 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -2.707 11.177 -4.392 1.00 0.00 H new ATOM 1125 N THR B 19 -0.223 3.599 -5.945 1.00 0.00 N ATOM 1126 CA THR B 19 1.160 3.182 -6.156 1.00 0.00 C ATOM 1127 C THR B 19 1.947 3.638 -4.932 1.00 0.00 C ATOM 1128 O THR B 19 2.593 4.687 -4.896 1.00 0.00 O ATOM 1129 CB THR B 19 1.674 3.722 -7.496 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.762 3.430 -8.544 1.00 0.00 O ATOM 1131 CG2 THR B 19 3.012 3.097 -7.866 1.00 0.00 C ATOM 0 H THR B 19 -0.335 4.612 -5.916 1.00 0.00 H new ATOM 0 HA THR B 19 1.271 2.101 -6.241 1.00 0.00 H new ATOM 0 HB THR B 19 1.784 4.800 -7.376 1.00 0.00 H new ATOM 0 HG1 THR B 19 1.110 3.785 -9.389 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.350 3.500 -8.821 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.747 3.327 -7.094 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.898 2.016 -7.948 1.00 0.00 H new ATOM 1139 N LEU B 20 1.745 2.864 -3.877 1.00 0.00 N ATOM 1140 CA LEU B 20 2.316 3.014 -2.555 1.00 0.00 C ATOM 1141 C LEU B 20 3.630 2.246 -2.522 1.00 0.00 C ATOM 1142 O LEU B 20 3.646 1.027 -2.336 1.00 0.00 O ATOM 1143 CB LEU B 20 1.303 2.497 -1.523 1.00 0.00 C ATOM 1144 CG LEU B 20 1.747 2.689 -0.068 1.00 0.00 C ATOM 1145 CD1 LEU B 20 1.914 4.169 0.275 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.674 2.088 0.841 1.00 0.00 C ATOM 0 H LEU B 20 1.129 2.053 -3.931 1.00 0.00 H new ATOM 0 HA LEU B 20 2.526 4.056 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.352 3.009 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.126 1.436 -1.702 1.00 0.00 H new ATOM 0 HG LEU B 20 2.710 2.198 0.074 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.229 4.268 1.314 1.00 0.00 H new ATOM 0 HD12 LEU B 20 2.668 4.611 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.964 4.685 0.133 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.968 2.213 1.883 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.275 2.596 0.669 1.00 0.00 H new ATOM 0 HD23 LEU B 20 0.563 1.026 0.620 1.00 0.00 H new ATOM 1158 N ARG B 21 4.726 2.936 -2.806 1.00 0.00 N ATOM 1159 CA ARG B 21 6.065 2.357 -2.826 1.00 0.00 C ATOM 1160 C ARG B 21 6.598 2.161 -1.405 1.00 0.00 C ATOM 1161 O ARG B 21 6.050 2.727 -0.457 1.00 0.00 O ATOM 1162 CB ARG B 21 6.990 3.238 -3.681 1.00 0.00 C ATOM 1163 CG ARG B 21 6.373 3.482 -5.071 1.00 0.00 C ATOM 1164 CD ARG B 21 7.449 3.749 -6.117 1.00 0.00 C ATOM 1165 NE ARG B 21 6.886 4.333 -7.346 1.00 0.00 N ATOM 1166 CZ ARG B 21 7.596 4.875 -8.344 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.914 5.015 -8.248 1.00 0.00 N ATOM 1168 NH2 ARG B 21 6.981 5.286 -9.444 1.00 0.00 N ATOM 0 H ARG B 21 4.711 3.930 -3.033 1.00 0.00 H new ATOM 0 HA ARG B 21 6.027 1.367 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.159 4.191 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG B 21 7.962 2.757 -3.788 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.783 2.614 -5.367 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.690 4.330 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.198 4.425 -5.704 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.960 2.817 -6.359 1.00 0.00 H new ATOM 0 HE ARG B 21 5.871 4.324 -7.446 1.00 0.00 H new ATOM 0 HH11 ARG B 21 9.399 4.708 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG B 21 9.440 5.430 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG B 21 5.969 5.189 -9.529 1.00 0.00 H new ATOM 0 HH22 ARG B 21 7.520 5.699 -10.205 1.00 0.00 H new ATOM 1182 N PHE B 22 7.656 1.365 -1.246 1.00 0.00 N ATOM 1183 CA PHE B 22 8.294 1.071 0.040 1.00 0.00 C ATOM 1184 C PHE B 22 9.799 0.996 -0.199 1.00 0.00 C ATOM 1185 O PHE B 22 10.215 0.641 -1.308 1.00 0.00 O ATOM 1186 CB PHE B 22 7.790 -0.265 0.623 1.00 0.00 C ATOM 1187 CG PHE B 22 6.332 -0.296 1.061 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.312 -0.450 0.103 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.989 -0.217 2.426 1.00 0.00 C ATOM 1190 CE1 PHE B 22 3.963 -0.501 0.496 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.639 -0.284 2.818 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.624 -0.415 1.855 1.00 0.00 C ATOM 0 H PHE B 22 8.106 0.893 -2.030 1.00 0.00 H new ATOM 0 HA PHE B 22 8.049 1.853 0.758 1.00 0.00 H new ATOM 0 HB2 PHE B 22 7.941 -1.044 -0.124 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.412 -0.522 1.481 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.568 -0.530 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.763 -0.105 3.171 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.187 -0.606 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.381 -0.234 3.866 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.588 -0.449 2.159 1.00 0.00 H new ATOM 1202 N SER B 23 10.613 1.370 0.788 1.00 0.00 N ATOM 1203 CA SER B 23 12.070 1.323 0.667 1.00 0.00 C ATOM 1204 C SER B 23 12.514 -0.135 0.894 1.00 0.00 C ATOM 1205 O SER B 23 11.707 -0.919 1.394 1.00 0.00 O ATOM 1206 CB SER B 23 12.659 2.322 1.668 1.00 0.00 C ATOM 1207 OG SER B 23 12.168 3.618 1.377 1.00 0.00 O ATOM 0 H SER B 23 10.283 1.713 1.690 1.00 0.00 H new ATOM 0 HA SER B 23 12.431 1.615 -0.319 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.389 2.038 2.685 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.748 2.312 1.612 1.00 0.00 H new ATOM 0 HG SER B 23 12.541 4.260 2.016 1.00 0.00 H new ATOM 1213 N PRO B 24 13.759 -0.541 0.575 1.00 0.00 N ATOM 1214 CA PRO B 24 14.181 -1.927 0.760 1.00 0.00 C ATOM 1215 C PRO B 24 14.194 -2.331 2.227 1.00 0.00 C ATOM 1216 O PRO B 24 13.851 -3.470 2.531 1.00 0.00 O ATOM 1217 CB PRO B 24 15.568 -2.052 0.132 1.00 0.00 C ATOM 1218 CG PRO B 24 16.095 -0.627 0.214 1.00 0.00 C ATOM 1219 CD PRO B 24 14.845 0.233 0.001 1.00 0.00 C ATOM 0 HA PRO B 24 13.475 -2.604 0.280 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.200 -2.751 0.680 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.517 -2.408 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.560 -0.426 1.179 1.00 0.00 H new ATOM 0 HG3 PRO B 24 16.849 -0.434 -0.549 1.00 0.00 H new ATOM 0 HD2 PRO B 24 14.943 1.201 0.492 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.675 0.428 -1.058 1.00 0.00 H new ATOM 1227 N VAL B 25 14.554 -1.408 3.122 1.00 0.00 N ATOM 1228 CA VAL B 25 14.598 -1.653 4.552 1.00 0.00 C ATOM 1229 C VAL B 25 13.190 -2.032 5.016 1.00 0.00 C ATOM 1230 O VAL B 25 12.991 -3.107 5.579 1.00 0.00 O ATOM 1231 CB VAL B 25 15.150 -0.403 5.273 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.148 -0.592 6.797 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.585 -0.069 4.838 1.00 0.00 C ATOM 0 H VAL B 25 14.825 -0.459 2.863 1.00 0.00 H new ATOM 0 HA VAL B 25 15.268 -2.478 4.795 1.00 0.00 H new ATOM 0 HB VAL B 25 14.489 0.418 4.994 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.542 0.305 7.275 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.129 -0.768 7.140 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.772 -1.447 7.058 1.00 0.00 H new ATOM 0 HG21 VAL B 25 16.930 0.817 5.371 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.240 -0.909 5.068 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.605 0.123 3.765 1.00 0.00 H new ATOM 1243 N GLU B 26 12.221 -1.165 4.724 1.00 0.00 N ATOM 1244 CA GLU B 26 10.820 -1.315 5.087 1.00 0.00 C ATOM 1245 C GLU B 26 10.227 -2.589 4.481 1.00 0.00 C ATOM 1246 O GLU B 26 9.513 -3.330 5.150 1.00 0.00 O ATOM 1247 CB GLU B 26 10.043 -0.073 4.618 1.00 0.00 C ATOM 1248 CG GLU B 26 10.670 1.269 5.021 1.00 0.00 C ATOM 1249 CD GLU B 26 10.805 1.531 6.522 1.00 0.00 C ATOM 1250 OE1 GLU B 26 11.656 0.885 7.174 1.00 0.00 O ATOM 1251 OE2 GLU B 26 10.137 2.477 6.997 1.00 0.00 O ATOM 0 H GLU B 26 12.403 -0.305 4.207 1.00 0.00 H new ATOM 0 HA GLU B 26 10.740 -1.404 6.170 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.955 -0.105 3.532 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.031 -0.121 5.021 1.00 0.00 H new ATOM 0 HG2 GLU B 26 11.661 1.332 4.572 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.072 2.070 4.586 1.00 0.00 H new ATOM 1258 N ASP B 27 10.527 -2.832 3.206 1.00 0.00 N ATOM 1259 CA ASP B 27 10.077 -3.982 2.432 1.00 0.00 C ATOM 1260 C ASP B 27 10.566 -5.279 3.042 1.00 0.00 C ATOM 1261 O ASP B 27 9.778 -6.202 3.182 1.00 0.00 O ATOM 1262 CB ASP B 27 10.625 -3.845 1.012 1.00 0.00 C ATOM 1263 CG ASP B 27 10.417 -5.073 0.125 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.264 -5.560 0.005 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.368 -5.404 -0.625 1.00 0.00 O ATOM 0 H ASP B 27 11.117 -2.202 2.662 1.00 0.00 H new ATOM 0 HA ASP B 27 8.987 -4.007 2.427 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.152 -2.986 0.536 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.692 -3.631 1.068 1.00 0.00 H new ATOM 1270 N GLU B 28 11.844 -5.345 3.412 1.00 0.00 N ATOM 1271 CA GLU B 28 12.444 -6.512 4.025 1.00 0.00 C ATOM 1272 C GLU B 28 11.710 -6.800 5.334 1.00 0.00 C ATOM 1273 O GLU B 28 11.299 -7.936 5.563 1.00 0.00 O ATOM 1274 CB GLU B 28 13.942 -6.248 4.224 1.00 0.00 C ATOM 1275 CG GLU B 28 14.708 -7.456 4.772 1.00 0.00 C ATOM 1276 CD GLU B 28 16.222 -7.233 4.821 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.734 -6.164 4.417 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.929 -8.159 5.290 1.00 0.00 O ATOM 0 H GLU B 28 12.497 -4.571 3.289 1.00 0.00 H new ATOM 0 HA GLU B 28 12.352 -7.396 3.394 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.380 -5.952 3.271 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.067 -5.408 4.907 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.347 -7.683 5.775 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.494 -8.326 4.152 1.00 0.00 H new ATOM 1285 N THR B 29 11.507 -5.780 6.173 1.00 0.00 N ATOM 1286 CA THR B 29 10.813 -5.923 7.444 1.00 0.00 C ATOM 1287 C THR B 29 9.411 -6.500 7.199 1.00 0.00 C ATOM 1288 O THR B 29 9.092 -7.581 7.696 1.00 0.00 O ATOM 1289 CB THR B 29 10.769 -4.552 8.158 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.063 -3.980 8.297 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.127 -4.633 9.541 1.00 0.00 C ATOM 0 H THR B 29 11.823 -4.829 5.983 1.00 0.00 H new ATOM 0 HA THR B 29 11.343 -6.618 8.096 1.00 0.00 H new ATOM 0 HB THR B 29 10.157 -3.917 7.518 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.354 -3.617 7.435 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.122 -3.644 9.998 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.103 -4.995 9.446 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.697 -5.319 10.167 1.00 0.00 H new ATOM 1299 N ILE B 30 8.605 -5.808 6.387 1.00 0.00 N ATOM 1300 CA ILE B 30 7.236 -6.190 6.062 1.00 0.00 C ATOM 1301 C ILE B 30 7.187 -7.581 5.446 1.00 0.00 C ATOM 1302 O ILE B 30 6.315 -8.363 5.798 1.00 0.00 O ATOM 1303 CB ILE B 30 6.556 -5.102 5.199 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.315 -3.856 6.082 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.211 -5.593 4.609 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.067 -2.567 5.294 1.00 0.00 C ATOM 0 H ILE B 30 8.899 -4.946 5.928 1.00 0.00 H new ATOM 0 HA ILE B 30 6.655 -6.254 6.982 1.00 0.00 H new ATOM 0 HB ILE B 30 7.211 -4.862 4.361 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.458 -4.043 6.729 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.179 -3.712 6.731 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.765 -4.799 4.009 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.386 -6.467 3.982 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.533 -5.859 5.420 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.907 -1.742 5.988 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.932 -2.352 4.667 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.185 -2.689 4.666 1.00 0.00 H new ATOM 1318 N ARG B 31 8.081 -7.910 4.518 1.00 0.00 N ATOM 1319 CA ARG B 31 8.104 -9.221 3.881 1.00 0.00 C ATOM 1320 C ARG B 31 8.359 -10.308 4.910 1.00 0.00 C ATOM 1321 O ARG B 31 7.664 -11.322 4.895 1.00 0.00 O ATOM 1322 CB ARG B 31 9.177 -9.260 2.777 1.00 0.00 C ATOM 1323 CG ARG B 31 9.489 -10.690 2.301 1.00 0.00 C ATOM 1324 CD ARG B 31 10.459 -10.664 1.126 1.00 0.00 C ATOM 1325 NE ARG B 31 11.010 -12.009 0.875 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.219 -12.588 -0.315 1.00 0.00 C ATOM 1327 NH1 ARG B 31 11.058 -11.931 -1.455 1.00 0.00 N ATOM 1328 NH2 ARG B 31 11.627 -13.845 -0.372 1.00 0.00 N ATOM 0 H ARG B 31 8.808 -7.276 4.188 1.00 0.00 H new ATOM 0 HA ARG B 31 7.131 -9.402 3.425 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.841 -8.664 1.928 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.091 -8.798 3.149 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.918 -11.267 3.121 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.567 -11.191 2.007 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.948 -10.303 0.234 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.270 -9.966 1.333 1.00 0.00 H new ATOM 0 HE ARG B 31 11.259 -12.558 1.697 1.00 0.00 H new ATOM 0 HH11 ARG B 31 10.766 -10.954 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG B 31 11.226 -12.403 -2.344 1.00 0.00 H new ATOM 0 HH21 ARG B 31 11.782 -14.371 0.488 1.00 0.00 H new ATOM 0 HH22 ARG B 31 11.787 -14.289 -1.276 1.00 0.00 H new ATOM 1342 N LYS B 32 9.386 -10.132 5.744 1.00 0.00 N ATOM 1343 CA LYS B 32 9.720 -11.148 6.731 1.00 0.00 C ATOM 1344 C LYS B 32 8.570 -11.323 7.707 1.00 0.00 C ATOM 1345 O LYS B 32 8.217 -12.456 8.020 1.00 0.00 O ATOM 1346 CB LYS B 32 11.049 -10.853 7.441 1.00 0.00 C ATOM 1347 CG LYS B 32 12.259 -11.421 6.674 1.00 0.00 C ATOM 1348 CD LYS B 32 12.643 -10.612 5.437 1.00 0.00 C ATOM 1349 CE LYS B 32 13.676 -11.290 4.536 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.977 -11.510 5.193 1.00 0.00 N ATOM 0 H LYS B 32 9.989 -9.309 5.753 1.00 0.00 H new ATOM 0 HA LYS B 32 9.868 -12.094 6.210 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.167 -9.775 7.555 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.025 -11.278 8.444 1.00 0.00 H new ATOM 0 HG2 LYS B 32 13.115 -11.465 7.347 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.037 -12.445 6.372 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.744 -10.414 4.854 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.035 -9.646 5.756 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.280 -12.249 4.201 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.826 -10.679 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.628 -11.972 4.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.375 -10.596 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.846 -12.117 6.027 1.00 0.00 H new ATOM 1364 N LYS B 33 7.978 -10.228 8.186 1.00 0.00 N ATOM 1365 CA LYS B 33 6.878 -10.324 9.130 1.00 0.00 C ATOM 1366 C LYS B 33 5.641 -10.917 8.473 1.00 0.00 C ATOM 1367 O LYS B 33 5.020 -11.784 9.067 1.00 0.00 O ATOM 1368 CB LYS B 33 6.591 -8.958 9.761 1.00 0.00 C ATOM 1369 CG LYS B 33 5.791 -9.097 11.064 1.00 0.00 C ATOM 1370 CD LYS B 33 6.612 -9.665 12.222 1.00 0.00 C ATOM 1371 CE LYS B 33 5.771 -9.642 13.499 1.00 0.00 C ATOM 1372 NZ LYS B 33 6.624 -9.810 14.688 1.00 0.00 N ATOM 0 H LYS B 33 8.243 -9.275 7.935 1.00 0.00 H new ATOM 0 HA LYS B 33 7.169 -11.003 9.931 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.531 -8.445 9.963 1.00 0.00 H new ATOM 0 HB3 LYS B 33 6.035 -8.340 9.056 1.00 0.00 H new ATOM 0 HG2 LYS B 33 5.402 -8.119 11.349 1.00 0.00 H new ATOM 0 HG3 LYS B 33 4.931 -9.743 10.887 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.923 -10.685 11.996 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.520 -9.078 12.361 1.00 0.00 H new ATOM 0 HE2 LYS B 33 5.228 -8.699 13.565 1.00 0.00 H new ATOM 0 HE3 LYS B 33 5.026 -10.437 13.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 6.034 -9.792 15.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.123 -10.721 14.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.318 -9.037 14.729 1.00 0.00 H new ATOM 1386 N ALA B 34 5.295 -10.503 7.258 1.00 0.00 N ATOM 1387 CA ALA B 34 4.138 -10.998 6.528 1.00 0.00 C ATOM 1388 C ALA B 34 4.220 -12.516 6.352 1.00 0.00 C ATOM 1389 O ALA B 34 3.283 -13.241 6.696 1.00 0.00 O ATOM 1390 CB ALA B 34 4.061 -10.278 5.174 1.00 0.00 C ATOM 0 H ALA B 34 5.824 -9.799 6.744 1.00 0.00 H new ATOM 0 HA ALA B 34 3.229 -10.790 7.092 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.197 -10.641 4.617 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.962 -9.205 5.338 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.969 -10.476 4.604 1.00 0.00 H new ATOM 1396 N GLU B 35 5.348 -13.003 5.829 1.00 0.00 N ATOM 1397 CA GLU B 35 5.537 -14.429 5.589 1.00 0.00 C ATOM 1398 C GLU B 35 5.506 -15.204 6.912 1.00 0.00 C ATOM 1399 O GLU B 35 4.954 -16.305 6.970 1.00 0.00 O ATOM 1400 CB GLU B 35 6.833 -14.647 4.788 1.00 0.00 C ATOM 1401 CG GLU B 35 7.072 -16.100 4.338 1.00 0.00 C ATOM 1402 CD GLU B 35 5.965 -16.692 3.451 1.00 0.00 C ATOM 1403 OE1 GLU B 35 5.404 -15.996 2.574 1.00 0.00 O ATOM 1404 OE2 GLU B 35 5.645 -17.898 3.612 1.00 0.00 O ATOM 0 H GLU B 35 6.145 -12.425 5.564 1.00 0.00 H new ATOM 0 HA GLU B 35 4.716 -14.821 4.988 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.812 -14.006 3.906 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.679 -14.325 5.396 1.00 0.00 H new ATOM 0 HG2 GLU B 35 8.016 -16.147 3.795 1.00 0.00 H new ATOM 0 HG3 GLU B 35 7.182 -16.726 5.223 1.00 0.00 H new ATOM 1411 N ASP B 36 6.069 -14.632 7.980 1.00 0.00 N ATOM 1412 CA ASP B 36 6.118 -15.233 9.306 1.00 0.00 C ATOM 1413 C ASP B 36 4.730 -15.287 9.934 1.00 0.00 C ATOM 1414 O ASP B 36 4.365 -16.298 10.536 1.00 0.00 O ATOM 1415 CB ASP B 36 7.103 -14.453 10.181 1.00 0.00 C ATOM 1416 CG ASP B 36 7.205 -15.021 11.590 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.619 -16.198 11.724 1.00 0.00 O ATOM 1418 OD2 ASP B 36 7.028 -14.239 12.552 1.00 0.00 O ATOM 0 H ASP B 36 6.513 -13.715 7.940 1.00 0.00 H new ATOM 0 HA ASP B 36 6.467 -16.262 9.221 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.088 -14.467 9.715 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.790 -13.410 10.235 1.00 0.00 H new ATOM 1423 N SER B 37 3.946 -14.221 9.775 1.00 0.00 N ATOM 1424 CA SER B 37 2.591 -14.116 10.295 1.00 0.00 C ATOM 1425 C SER B 37 1.679 -15.065 9.502 1.00 0.00 C ATOM 1426 O SER B 37 0.713 -15.597 10.045 1.00 0.00 O ATOM 1427 CB SER B 37 2.123 -12.646 10.200 1.00 0.00 C ATOM 1428 OG SER B 37 1.164 -12.252 11.171 1.00 0.00 O ATOM 0 H SER B 37 4.247 -13.389 9.268 1.00 0.00 H new ATOM 0 HA SER B 37 2.552 -14.409 11.344 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.995 -11.998 10.290 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.702 -12.479 9.209 1.00 0.00 H new ATOM 0 HG SER B 37 0.929 -11.310 11.035 1.00 0.00 H new ATOM 1434 N GLY B 38 2.019 -15.363 8.242 1.00 0.00 N ATOM 1435 CA GLY B 38 1.233 -16.229 7.375 1.00 0.00 C ATOM 1436 C GLY B 38 0.142 -15.416 6.675 1.00 0.00 C ATOM 1437 O GLY B 38 -0.888 -15.963 6.276 1.00 0.00 O ATOM 0 H GLY B 38 2.862 -15.000 7.796 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.879 -16.700 6.634 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.782 -17.031 7.960 1.00 0.00 H new ATOM 1441 N LEU B 39 0.334 -14.103 6.566 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.558 -13.145 5.951 1.00 0.00 C ATOM 1443 C LEU B 39 0.287 -12.488 4.889 1.00 0.00 C ATOM 1444 O LEU B 39 1.266 -11.833 5.236 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.026 -12.093 6.972 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.979 -12.626 8.051 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.241 -11.508 9.061 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.311 -13.108 7.464 1.00 0.00 C ATOM 0 H LEU B 39 1.176 -13.659 6.932 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.458 -13.616 5.555 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.150 -11.665 7.459 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.521 -11.283 6.437 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.508 -13.485 8.529 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.917 -11.869 9.836 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.299 -11.200 9.515 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.694 -10.657 8.552 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.951 -13.476 8.267 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.806 -12.280 6.956 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -3.125 -13.912 6.751 1.00 0.00 H new ATOM 1460 N THR B 40 -0.054 -12.667 3.613 1.00 0.00 N ATOM 1461 CA THR B 40 0.700 -12.055 2.525 1.00 0.00 C ATOM 1462 C THR B 40 0.850 -10.550 2.781 1.00 0.00 C ATOM 1463 O THR B 40 0.030 -9.954 3.480 1.00 0.00 O ATOM 1464 CB THR B 40 0.007 -12.348 1.191 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.783 -11.821 0.140 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.406 -11.758 1.119 1.00 0.00 C ATOM 0 H THR B 40 -0.848 -13.231 3.310 1.00 0.00 H new ATOM 0 HA THR B 40 1.702 -12.481 2.477 1.00 0.00 H new ATOM 0 HB THR B 40 -0.086 -13.430 1.102 1.00 0.00 H new ATOM 0 HG1 THR B 40 0.344 -12.008 -0.716 1.00 0.00 H new ATOM 0 HG21 THR B 40 -1.851 -11.996 0.153 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.019 -12.183 1.914 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.355 -10.676 1.239 1.00 0.00 H new ATOM 1474 N VAL B 41 1.842 -9.905 2.164 1.00 0.00 N ATOM 1475 CA VAL B 41 2.121 -8.488 2.327 1.00 0.00 C ATOM 1476 C VAL B 41 0.852 -7.635 2.222 1.00 0.00 C ATOM 1477 O VAL B 41 0.696 -6.726 3.031 1.00 0.00 O ATOM 1478 CB VAL B 41 3.249 -8.052 1.370 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.515 -6.545 1.507 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.555 -8.815 1.654 1.00 0.00 C ATOM 0 H VAL B 41 2.485 -10.370 1.523 1.00 0.00 H new ATOM 0 HA VAL B 41 2.486 -8.316 3.340 1.00 0.00 H new ATOM 0 HB VAL B 41 2.920 -8.281 0.356 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.314 -6.253 0.825 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.608 -5.992 1.262 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.812 -6.320 2.531 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.328 -8.483 0.961 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.876 -8.619 2.677 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.387 -9.884 1.525 1.00 0.00 H new ATOM 1490 N SER B 42 -0.067 -7.897 1.286 1.00 0.00 N ATOM 1491 CA SER B 42 -1.274 -7.079 1.203 1.00 0.00 C ATOM 1492 C SER B 42 -2.150 -7.215 2.453 1.00 0.00 C ATOM 1493 O SER B 42 -2.617 -6.201 2.975 1.00 0.00 O ATOM 1494 CB SER B 42 -2.063 -7.343 -0.084 1.00 0.00 C ATOM 1495 OG SER B 42 -2.283 -8.723 -0.301 1.00 0.00 O ATOM 0 H SER B 42 -0.000 -8.646 0.597 1.00 0.00 H new ATOM 0 HA SER B 42 -0.945 -6.041 1.162 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.022 -6.827 -0.033 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.521 -6.925 -0.933 1.00 0.00 H new ATOM 0 HG SER B 42 -2.790 -8.847 -1.130 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.387 -8.450 2.906 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.181 -8.750 4.088 1.00 0.00 C ATOM 1503 C ALA B 43 -2.483 -8.159 5.310 1.00 0.00 C ATOM 1504 O ALA B 43 -3.115 -7.492 6.115 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.357 -10.263 4.243 1.00 0.00 C ATOM 0 H ALA B 43 -2.021 -9.284 2.446 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.173 -8.309 3.988 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.953 -10.471 5.132 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.864 -10.662 3.365 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.379 -10.735 4.343 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.170 -8.368 5.432 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.360 -7.867 6.522 1.00 0.00 C ATOM 1513 C TYR B 44 -0.535 -6.348 6.619 1.00 0.00 C ATOM 1514 O TYR B 44 -0.906 -5.827 7.665 1.00 0.00 O ATOM 1515 CB TYR B 44 1.089 -8.304 6.287 1.00 0.00 C ATOM 1516 CG TYR B 44 2.006 -7.822 7.378 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.124 -8.557 8.572 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.657 -6.587 7.233 1.00 0.00 C ATOM 1519 CE1 TYR B 44 2.854 -8.026 9.646 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.414 -6.071 8.292 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.477 -6.764 9.520 1.00 0.00 C ATOM 1522 OH TYR B 44 4.107 -6.214 10.591 1.00 0.00 O ATOM 0 H TYR B 44 -0.635 -8.907 4.751 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.670 -8.277 7.483 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.135 -9.391 6.229 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.433 -7.918 5.327 1.00 0.00 H new ATOM 0 HD1 TYR B 44 1.655 -9.526 8.661 1.00 0.00 H new ATOM 0 HD2 TYR B 44 2.574 -6.036 6.308 1.00 0.00 H new ATOM 0 HE1 TYR B 44 2.940 -8.581 10.568 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.950 -5.142 8.169 1.00 0.00 H new ATOM 0 HH TYR B 44 4.380 -5.298 10.375 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.328 -5.641 5.503 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.452 -4.193 5.404 1.00 0.00 C ATOM 1534 C ILE B 45 -1.836 -3.716 5.854 1.00 0.00 C ATOM 1535 O ILE B 45 -1.947 -2.921 6.782 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.149 -3.744 3.946 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.357 -3.762 3.604 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.750 -2.367 3.608 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.181 -2.668 4.278 1.00 0.00 C ATOM 0 H ILE B 45 -0.062 -6.079 4.621 1.00 0.00 H new ATOM 0 HA ILE B 45 0.275 -3.734 6.075 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.639 -4.491 3.322 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.767 -4.732 3.886 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.471 -3.669 2.524 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.506 -2.106 2.578 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.833 -2.404 3.726 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.337 -1.615 4.280 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.225 -2.761 3.978 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.803 -1.691 3.978 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.104 -2.770 5.361 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.888 -4.145 5.155 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.252 -3.732 5.442 1.00 0.00 C ATOM 1553 C ARG B 46 -4.689 -4.076 6.865 1.00 0.00 C ATOM 1554 O ARG B 46 -5.358 -3.248 7.474 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.175 -4.238 4.322 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.649 -5.668 4.545 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.322 -6.217 3.298 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.908 -7.527 3.580 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.746 -8.181 2.778 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.042 -7.677 1.582 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -8.283 -9.324 3.181 1.00 0.00 N ATOM 0 H ARG B 46 -2.811 -4.792 4.370 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.319 -2.644 5.435 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.041 -3.581 4.248 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -4.648 -4.180 3.370 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.801 -6.299 4.813 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.346 -5.698 5.382 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.096 -5.528 2.960 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.595 -6.301 2.490 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.655 -7.975 4.461 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.627 -6.794 1.284 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -8.683 -8.174 0.964 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -8.054 -9.699 4.102 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -8.926 -9.829 2.571 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.314 -5.238 7.398 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.654 -5.669 8.748 1.00 0.00 C ATOM 1577 C ASN B 47 -3.987 -4.745 9.757 1.00 0.00 C ATOM 1578 O ASN B 47 -4.672 -4.149 10.587 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.168 -7.102 8.984 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.375 -7.471 10.439 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.493 -7.459 10.937 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.315 -7.805 11.147 1.00 0.00 N ATOM 0 H ASN B 47 -3.752 -5.920 6.889 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.737 -5.633 8.868 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.713 -7.793 8.341 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.113 -7.188 8.722 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.417 -8.060 12.129 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.392 -7.809 10.713 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.660 -4.620 9.664 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.848 -3.796 10.544 1.00 0.00 C ATOM 1591 C ALA B 48 -2.301 -2.336 10.543 1.00 0.00 C ATOM 1592 O ALA B 48 -2.148 -1.644 11.547 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.383 -3.903 10.109 1.00 0.00 C ATOM 0 H ALA B 48 -2.113 -5.105 8.953 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.964 -4.161 11.564 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.236 -3.289 10.762 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.059 -4.942 10.174 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.282 -3.555 9.081 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.869 -1.869 9.428 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.344 -0.512 9.286 1.00 0.00 C ATOM 1601 C ALA B 49 -4.657 -0.238 10.024 1.00 0.00 C ATOM 1602 O ALA B 49 -4.945 0.921 10.334 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.514 -0.212 7.796 1.00 0.00 C ATOM 0 H ALA B 49 -3.008 -2.439 8.594 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.602 0.142 9.743 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.872 0.810 7.669 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.555 -0.326 7.290 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.236 -0.906 7.365 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.482 -1.261 10.255 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.764 -1.121 10.947 1.00 0.00 C ATOM 1611 C LEU B 50 -6.566 -1.408 12.439 1.00 0.00 C ATOM 1612 O LEU B 50 -7.102 -0.683 13.287 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.807 -2.093 10.352 1.00 0.00 C ATOM 1614 CG LEU B 50 -8.039 -1.977 8.830 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.562 -3.308 8.280 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.972 -0.839 8.399 1.00 0.00 C ATOM 0 H LEU B 50 -5.277 -2.217 9.965 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.132 -0.103 10.818 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.495 -3.113 10.577 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.758 -1.931 10.859 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.064 -1.731 8.409 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.724 -3.219 7.206 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.832 -4.094 8.474 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.503 -3.559 8.769 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -9.071 -0.841 7.314 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.953 -0.981 8.853 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.556 0.115 8.724 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.824 -2.479 12.745 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.513 -2.938 14.094 1.00 0.00 C ATOM 1630 C ASN B 51 -4.306 -2.194 14.629 1.00 0.00 C ATOM 1631 O ASN B 51 -4.489 -1.039 15.072 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.303 -4.462 14.115 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.624 -5.194 13.995 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -7.571 -4.896 14.717 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.741 -6.150 13.089 1.00 0.00 N ATOM 0 H ASN B 51 -5.409 -3.071 12.025 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.357 -2.721 14.749 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.646 -4.753 13.296 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.806 -4.751 15.041 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.625 -6.648 12.985 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.947 -6.389 12.495 1.00 0.00 H new