USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 LYS NZ :NH3+ -177:sc= -1.34 (180deg=-1.38) USER MOD Set 1.2: B 658 GLN : amide:sc= -0.589 K(o=-1.9,f=-4.7!) USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= -0.822 F(o=-1.8,f=-0.94) USER MOD Set 2.2: B 648 THR OG1 : rot 180:sc= -0.115 USER MOD Set 3.1: B 637 GLN : amide:sc= -0.496 X(o=-2.1,f=-2.4) USER MOD Set 3.2: B 641 GLN : amide:sc= -1.6 K(o=-2.1,f=-3!) USER MOD Set 4.1: A 66 ASN : amide:sc= -0.398 K(o=0.84,f=-1.9!) USER MOD Set 4.2: A 67 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= -0.164 (180deg=-1.35) USER MOD Single : A 25 MET CE :methyl -125:sc= -2.19! (180deg=-6.59!) USER MOD Single : A 27 HIS : no HD1:sc= -0.919 X(o=-0.92,f=-0.66) USER MOD Single : A 28 THR OG1 : rot 78:sc= -1.16 USER MOD Single : A 31 GLN : amide:sc= -0.24 K(o=-0.24,f=-0.8) USER MOD Single : A 52 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.5!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.139 F(o=-0.83,f=-0.14) USER MOD Single : A 73 GLN : amide:sc= -0.761 K(o=-0.76,f=-1.8!) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 87:sc= 0.234 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0.0463 USER MOD Single : B 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.8) USER MOD Single : B 663 MET CE :methyl -160:sc= -1.67 (180deg=-3.27!) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 673 MET CE :methyl -153:sc= -0.121 (180deg=-0.669) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.755 -16.230 7.163 1.00 0.00 N ATOM 223 CA ALA A 17 -6.116 -15.066 7.766 1.00 0.00 C ATOM 224 C ALA A 17 -5.808 -14.005 6.714 1.00 0.00 C ATOM 225 O ALA A 17 -5.792 -12.809 7.011 1.00 0.00 O ATOM 226 CB ALA A 17 -4.844 -15.478 8.492 1.00 0.00 C ATOM 0 HA ALA A 17 -6.809 -14.635 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.378 -14.599 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.088 -16.195 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.153 -15.936 7.784 1.00 0.00 H new ATOM 232 N PHE A 18 -5.561 -14.449 5.487 1.00 0.00 N ATOM 233 CA PHE A 18 -5.251 -13.537 4.392 1.00 0.00 C ATOM 234 C PHE A 18 -6.385 -12.539 4.177 1.00 0.00 C ATOM 235 O PHE A 18 -6.150 -11.345 3.997 1.00 0.00 O ATOM 236 CB PHE A 18 -4.995 -14.322 3.104 1.00 0.00 C ATOM 237 CG PHE A 18 -4.250 -13.537 2.063 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.932 -12.763 1.138 1.00 0.00 C ATOM 239 CD2 PHE A 18 -2.866 -13.573 2.008 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.248 -12.041 0.178 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.176 -12.852 1.051 1.00 0.00 C ATOM 242 CZ PHE A 18 -2.868 -12.084 0.135 1.00 0.00 C ATOM 0 H PHE A 18 -5.569 -15.435 5.225 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.350 -12.984 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.429 -15.222 3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.950 -14.646 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.011 -12.723 1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.319 -14.172 2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.792 -11.443 -0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.097 -12.889 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.332 -11.519 -0.613 1.00 0.00 H new ATOM 251 N ALA A 19 -7.616 -13.039 4.197 1.00 0.00 N ATOM 252 CA ALA A 19 -8.787 -12.193 4.006 1.00 0.00 C ATOM 253 C ALA A 19 -8.922 -11.179 5.137 1.00 0.00 C ATOM 254 O ALA A 19 -9.329 -10.039 4.915 1.00 0.00 O ATOM 255 CB ALA A 19 -10.043 -13.045 3.907 1.00 0.00 C ATOM 0 H ALA A 19 -7.828 -14.026 4.344 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.659 -11.644 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.910 -12.400 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.955 -13.726 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.166 -13.620 4.825 1.00 0.00 H new ATOM 261 N ALA A 20 -8.578 -11.601 6.349 1.00 0.00 N ATOM 262 CA ALA A 20 -8.659 -10.729 7.514 1.00 0.00 C ATOM 263 C ALA A 20 -7.856 -9.451 7.301 1.00 0.00 C ATOM 264 O ALA A 20 -8.302 -8.358 7.651 1.00 0.00 O ATOM 265 CB ALA A 20 -8.171 -11.461 8.756 1.00 0.00 C ATOM 0 H ALA A 20 -8.240 -12.542 6.550 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.703 -10.451 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.237 -10.798 9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.791 -12.341 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.135 -11.769 8.613 1.00 0.00 H new ATOM 271 N LYS A 21 -6.667 -9.594 6.723 1.00 0.00 N ATOM 272 CA LYS A 21 -5.800 -8.452 6.461 1.00 0.00 C ATOM 273 C LYS A 21 -6.323 -7.630 5.287 1.00 0.00 C ATOM 274 O LYS A 21 -6.063 -6.431 5.192 1.00 0.00 O ATOM 275 CB LYS A 21 -4.374 -8.924 6.174 1.00 0.00 C ATOM 276 CG LYS A 21 -3.875 -9.980 7.142 1.00 0.00 C ATOM 277 CD LYS A 21 -2.436 -9.721 7.559 1.00 0.00 C ATOM 278 CE LYS A 21 -2.334 -8.527 8.495 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.502 -8.830 9.692 1.00 0.00 N ATOM 0 H LYS A 21 -6.282 -10.491 6.427 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.794 -7.820 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.330 -9.323 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.703 -8.066 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.513 -9.995 8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.949 -10.964 6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.034 -10.606 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.826 -9.544 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.904 -7.681 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.333 -8.229 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.051 -7.957 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.104 -9.223 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.769 -9.522 9.439 1.00 0.00 H new ATOM 289 N ALA A 22 -7.062 -8.283 4.396 1.00 0.00 N ATOM 290 CA ALA A 22 -7.623 -7.612 3.230 1.00 0.00 C ATOM 291 C ALA A 22 -8.750 -6.666 3.631 1.00 0.00 C ATOM 292 O ALA A 22 -8.763 -5.499 3.241 1.00 0.00 O ATOM 293 CB ALA A 22 -8.125 -8.636 2.222 1.00 0.00 C ATOM 0 H ALA A 22 -7.286 -9.276 4.460 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.833 -7.020 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.541 -8.121 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.297 -9.269 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.897 -9.252 2.683 1.00 0.00 H new ATOM 299 N GLY A 23 -9.696 -7.177 4.414 1.00 0.00 N ATOM 300 CA GLY A 23 -10.815 -6.364 4.854 1.00 0.00 C ATOM 301 C GLY A 23 -10.382 -5.216 5.744 1.00 0.00 C ATOM 302 O GLY A 23 -11.033 -4.171 5.782 1.00 0.00 O ATOM 0 H GLY A 23 -9.707 -8.140 4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.337 -5.968 3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.525 -6.990 5.394 1.00 0.00 H new ATOM 306 N LEU A 24 -9.281 -5.409 6.462 1.00 0.00 N ATOM 307 CA LEU A 24 -8.763 -4.381 7.358 1.00 0.00 C ATOM 308 C LEU A 24 -7.897 -3.382 6.597 1.00 0.00 C ATOM 309 O LEU A 24 -7.766 -2.227 7.001 1.00 0.00 O ATOM 310 CB LEU A 24 -7.950 -5.022 8.485 1.00 0.00 C ATOM 311 CG LEU A 24 -8.307 -4.580 9.904 1.00 0.00 C ATOM 312 CD1 LEU A 24 -8.000 -5.687 10.902 1.00 0.00 C ATOM 313 CD2 LEU A 24 -7.558 -3.307 10.271 1.00 0.00 C ATOM 0 H LEU A 24 -8.730 -6.267 6.441 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.611 -3.847 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.069 -6.104 8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.895 -4.807 8.313 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.376 -4.372 9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.261 -5.354 11.907 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.582 -6.574 10.652 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.937 -5.927 10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.825 -3.007 11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.485 -3.488 10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.828 -2.513 9.575 1.00 0.00 H new ATOM 324 N MET A 25 -7.312 -3.833 5.493 1.00 0.00 N ATOM 325 CA MET A 25 -6.462 -2.977 4.674 1.00 0.00 C ATOM 326 C MET A 25 -7.212 -1.720 4.242 1.00 0.00 C ATOM 327 O MET A 25 -6.789 -0.602 4.536 1.00 0.00 O ATOM 328 CB MET A 25 -5.969 -3.739 3.443 1.00 0.00 C ATOM 329 CG MET A 25 -5.217 -2.868 2.449 1.00 0.00 C ATOM 330 SD MET A 25 -3.558 -3.482 2.104 1.00 0.00 S ATOM 331 CE MET A 25 -2.653 -2.817 3.499 1.00 0.00 C ATOM 0 H MET A 25 -7.411 -4.787 5.145 1.00 0.00 H new ATOM 0 HA MET A 25 -5.603 -2.678 5.275 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.319 -4.552 3.766 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.823 -4.194 2.941 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.782 -2.815 1.518 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.150 -1.852 2.839 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.808 -2.231 3.138 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.311 -2.179 4.089 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.289 -3.635 4.120 1.00 0.00 H new ATOM 339 N ARG A 26 -8.325 -1.912 3.543 1.00 0.00 N ATOM 340 CA ARG A 26 -9.132 -0.794 3.069 1.00 0.00 C ATOM 341 C ARG A 26 -9.573 0.090 4.233 1.00 0.00 C ATOM 342 O ARG A 26 -9.844 1.277 4.056 1.00 0.00 O ATOM 343 CB ARG A 26 -10.359 -1.307 2.312 1.00 0.00 C ATOM 344 CG ARG A 26 -10.015 -2.127 1.080 1.00 0.00 C ATOM 345 CD ARG A 26 -10.788 -3.437 1.047 1.00 0.00 C ATOM 346 NE ARG A 26 -10.402 -4.272 -0.085 1.00 0.00 N ATOM 347 CZ ARG A 26 -10.626 -5.581 -0.144 1.00 0.00 C ATOM 348 NH1 ARG A 26 -11.232 -6.198 0.861 1.00 0.00 N ATOM 349 NH2 ARG A 26 -10.245 -6.273 -1.209 1.00 0.00 N ATOM 0 H ARG A 26 -8.689 -2.831 3.292 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.519 -0.198 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.963 -1.915 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.972 -0.457 2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.238 -1.549 0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.945 -2.335 1.067 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.616 -3.983 1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.856 -3.226 0.994 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.934 -3.827 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.527 -5.668 1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.403 -7.202 0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.779 -5.801 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.417 -7.277 -1.253 1.00 0.00 H new ATOM 360 N HIS A 27 -9.642 -0.499 5.422 1.00 0.00 N ATOM 361 CA HIS A 27 -10.050 0.236 6.616 1.00 0.00 C ATOM 362 C HIS A 27 -8.938 1.169 7.085 1.00 0.00 C ATOM 363 O HIS A 27 -9.197 2.181 7.737 1.00 0.00 O ATOM 364 CB HIS A 27 -10.423 -0.737 7.736 1.00 0.00 C ATOM 365 CG HIS A 27 -11.141 -0.087 8.877 1.00 0.00 C ATOM 366 ND1 HIS A 27 -11.746 1.148 8.782 1.00 0.00 N ATOM 367 CD2 HIS A 27 -11.350 -0.509 10.147 1.00 0.00 C ATOM 368 CE1 HIS A 27 -12.296 1.458 9.942 1.00 0.00 C ATOM 369 NE2 HIS A 27 -12.070 0.469 10.787 1.00 0.00 N ATOM 0 H HIS A 27 -9.421 -1.481 5.586 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.922 0.838 6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.051 -1.528 7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.516 -1.212 8.111 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.013 -1.441 10.576 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.838 2.366 10.162 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.380 0.437 11.758 1.00 0.00 H new ATOM 376 N THR A 28 -7.699 0.821 6.750 1.00 0.00 N ATOM 377 CA THR A 28 -6.548 1.627 7.139 1.00 0.00 C ATOM 378 C THR A 28 -6.478 2.914 6.324 1.00 0.00 C ATOM 379 O THR A 28 -6.271 3.997 6.874 1.00 0.00 O ATOM 380 CB THR A 28 -5.232 0.847 6.962 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.409 -0.513 7.373 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.112 1.485 7.770 1.00 0.00 C ATOM 0 H THR A 28 -7.467 -0.013 6.211 1.00 0.00 H new ATOM 0 HA THR A 28 -6.676 1.875 8.193 1.00 0.00 H new ATOM 0 HB THR A 28 -4.959 0.874 5.907 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.882 -1.008 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.193 0.917 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.960 2.511 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.380 1.485 8.827 1.00 0.00 H new ATOM 390 N ILE A 29 -6.649 2.788 5.012 1.00 0.00 N ATOM 391 CA ILE A 29 -6.607 3.943 4.124 1.00 0.00 C ATOM 392 C ILE A 29 -7.861 4.798 4.272 1.00 0.00 C ATOM 393 O ILE A 29 -7.780 6.019 4.399 1.00 0.00 O ATOM 394 CB ILE A 29 -6.462 3.515 2.651 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.131 2.792 2.435 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.572 4.724 1.734 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.182 1.318 2.766 1.00 0.00 C ATOM 0 H ILE A 29 -6.818 1.899 4.541 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.735 4.530 4.412 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.270 2.826 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.827 2.912 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.365 3.267 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.467 4.405 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.544 5.198 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.783 5.437 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.204 0.871 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.455 1.190 3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.924 0.829 2.135 1.00 0.00 H new ATOM 408 N GLY A 30 -9.019 4.148 4.256 1.00 0.00 N ATOM 409 CA GLY A 30 -10.274 4.864 4.392 1.00 0.00 C ATOM 410 C GLY A 30 -10.308 5.746 5.625 1.00 0.00 C ATOM 411 O GLY A 30 -10.698 6.911 5.551 1.00 0.00 O ATOM 0 H GLY A 30 -9.111 3.138 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.437 5.477 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.094 4.148 4.439 1.00 0.00 H new ATOM 415 N GLN A 31 -9.899 5.190 6.761 1.00 0.00 N ATOM 416 CA GLN A 31 -9.886 5.933 8.014 1.00 0.00 C ATOM 417 C GLN A 31 -8.758 6.958 8.028 1.00 0.00 C ATOM 418 O GLN A 31 -8.928 8.078 8.508 1.00 0.00 O ATOM 419 CB GLN A 31 -9.736 4.976 9.198 1.00 0.00 C ATOM 420 CG GLN A 31 -11.056 4.397 9.683 1.00 0.00 C ATOM 421 CD GLN A 31 -11.977 5.450 10.264 1.00 0.00 C ATOM 422 OE1 GLN A 31 -11.525 6.416 10.881 1.00 0.00 O ATOM 423 NE2 GLN A 31 -13.279 5.270 10.072 1.00 0.00 N ATOM 0 H GLN A 31 -9.572 4.227 6.839 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.835 6.463 8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.073 4.159 8.913 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.255 5.503 10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.557 3.900 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.859 3.636 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.610 4.456 9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.947 5.946 10.442 1.00 0.00 H new ATOM 430 N ALA A 32 -7.603 6.567 7.497 1.00 0.00 N ATOM 431 CA ALA A 32 -6.446 7.453 7.447 1.00 0.00 C ATOM 432 C ALA A 32 -6.722 8.666 6.565 1.00 0.00 C ATOM 433 O ALA A 32 -6.145 9.735 6.767 1.00 0.00 O ATOM 434 CB ALA A 32 -5.225 6.698 6.943 1.00 0.00 C ATOM 0 H ALA A 32 -7.444 5.643 7.096 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.247 7.809 8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.369 7.371 6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.008 5.867 7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.422 6.314 5.942 1.00 0.00 H new ATOM 440 N GLU A 33 -7.605 8.493 5.587 1.00 0.00 N ATOM 441 CA GLU A 33 -7.955 9.575 4.674 1.00 0.00 C ATOM 442 C GLU A 33 -8.803 10.629 5.379 1.00 0.00 C ATOM 443 O GLU A 33 -8.528 11.825 5.286 1.00 0.00 O ATOM 444 CB GLU A 33 -8.709 9.025 3.461 1.00 0.00 C ATOM 445 CG GLU A 33 -7.801 8.604 2.319 1.00 0.00 C ATOM 446 CD GLU A 33 -8.462 7.610 1.383 1.00 0.00 C ATOM 447 OE1 GLU A 33 -9.564 7.126 1.714 1.00 0.00 O ATOM 448 OE2 GLU A 33 -7.878 7.319 0.319 1.00 0.00 O ATOM 0 H GLU A 33 -8.091 7.615 5.406 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.031 10.044 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.307 8.169 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.403 9.784 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.502 9.486 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.891 8.164 2.727 1.00 0.00 H new ATOM 658 N PHE A 51 -4.087 20.645 -0.498 1.00 0.00 N ATOM 659 CA PHE A 51 -4.374 19.437 0.268 1.00 0.00 C ATOM 660 C PHE A 51 -5.151 18.430 -0.576 1.00 0.00 C ATOM 661 O PHE A 51 -4.971 17.220 -0.439 1.00 0.00 O ATOM 662 CB PHE A 51 -5.170 19.783 1.529 1.00 0.00 C ATOM 663 CG PHE A 51 -5.669 18.577 2.272 1.00 0.00 C ATOM 664 CD1 PHE A 51 -4.855 17.923 3.184 1.00 0.00 C ATOM 665 CD2 PHE A 51 -6.951 18.097 2.060 1.00 0.00 C ATOM 666 CE1 PHE A 51 -5.311 16.813 3.870 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.411 16.987 2.744 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.590 16.345 3.649 1.00 0.00 C ATOM 0 HA PHE A 51 -3.424 18.987 0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.542 20.376 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.020 20.407 1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.853 18.285 3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.598 18.595 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.667 16.313 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.413 16.622 2.570 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.948 15.478 4.183 1.00 0.00 H new ATOM 677 N GLN A 52 -6.013 18.940 -1.450 1.00 0.00 N ATOM 678 CA GLN A 52 -6.818 18.086 -2.316 1.00 0.00 C ATOM 679 C GLN A 52 -5.931 17.204 -3.187 1.00 0.00 C ATOM 680 O GLN A 52 -6.076 15.982 -3.201 1.00 0.00 O ATOM 681 CB GLN A 52 -7.735 18.936 -3.197 1.00 0.00 C ATOM 682 CG GLN A 52 -8.417 18.149 -4.303 1.00 0.00 C ATOM 683 CD GLN A 52 -9.914 18.385 -4.351 1.00 0.00 C ATOM 684 OE1 GLN A 52 -10.410 19.396 -3.853 1.00 0.00 O ATOM 685 NE2 GLN A 52 -10.642 17.452 -4.953 1.00 0.00 N ATOM 0 H GLN A 52 -6.172 19.939 -1.577 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.429 17.443 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.496 19.402 -2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.152 19.742 -3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.979 18.424 -5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.225 17.086 -4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.189 16.630 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.655 17.557 -5.017 1.00 0.00 H new ATOM 692 N ALA A 53 -5.011 17.831 -3.913 1.00 0.00 N ATOM 693 CA ALA A 53 -4.099 17.103 -4.786 1.00 0.00 C ATOM 694 C ALA A 53 -3.407 15.971 -4.035 1.00 0.00 C ATOM 695 O ALA A 53 -3.388 14.830 -4.493 1.00 0.00 O ATOM 696 CB ALA A 53 -3.070 18.051 -5.383 1.00 0.00 C ATOM 0 H ALA A 53 -4.878 18.842 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.683 16.663 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.395 17.493 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.578 18.821 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.498 18.518 -4.582 1.00 0.00 H new ATOM 702 N ALA A 54 -2.837 16.296 -2.879 1.00 0.00 N ATOM 703 CA ALA A 54 -2.145 15.306 -2.064 1.00 0.00 C ATOM 704 C ALA A 54 -3.107 14.231 -1.569 1.00 0.00 C ATOM 705 O ALA A 54 -2.759 13.052 -1.508 1.00 0.00 O ATOM 706 CB ALA A 54 -1.454 15.980 -0.888 1.00 0.00 C ATOM 0 H ALA A 54 -2.841 17.237 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.392 14.823 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.941 15.228 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.729 16.705 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.196 16.490 -0.274 1.00 0.00 H new ATOM 712 N HIS A 55 -4.320 14.647 -1.216 1.00 0.00 N ATOM 713 CA HIS A 55 -5.333 13.719 -0.726 1.00 0.00 C ATOM 714 C HIS A 55 -5.758 12.748 -1.824 1.00 0.00 C ATOM 715 O HIS A 55 -6.026 11.577 -1.560 1.00 0.00 O ATOM 716 CB HIS A 55 -6.550 14.487 -0.209 1.00 0.00 C ATOM 717 CG HIS A 55 -7.655 13.600 0.277 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.508 12.797 -0.400 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -7.986 13.472 1.609 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.330 12.203 0.526 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -8.994 12.627 1.731 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.625 15.619 -1.260 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.899 13.145 0.093 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.237 15.143 0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.932 15.126 -1.005 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.497 13.983 2.426 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.122 11.503 0.305 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.437 12.349 2.607 1.00 0.00 H new ATOM 728 N ALA A 56 -5.816 13.245 -3.056 1.00 0.00 N ATOM 729 CA ALA A 56 -6.207 12.422 -4.193 1.00 0.00 C ATOM 730 C ALA A 56 -5.106 11.430 -4.557 1.00 0.00 C ATOM 731 O ALA A 56 -5.383 10.334 -5.043 1.00 0.00 O ATOM 732 CB ALA A 56 -6.545 13.300 -5.389 1.00 0.00 C ATOM 0 H ALA A 56 -5.597 14.213 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.094 11.854 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.835 12.672 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.369 13.965 -5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.673 13.893 -5.663 1.00 0.00 H new ATOM 738 N ARG A 57 -3.859 11.824 -4.318 1.00 0.00 N ATOM 739 CA ARG A 57 -2.718 10.970 -4.623 1.00 0.00 C ATOM 740 C ARG A 57 -2.752 9.697 -3.783 1.00 0.00 C ATOM 741 O ARG A 57 -2.475 8.605 -4.280 1.00 0.00 O ATOM 742 CB ARG A 57 -1.410 11.723 -4.374 1.00 0.00 C ATOM 743 CG ARG A 57 -1.036 12.680 -5.494 1.00 0.00 C ATOM 744 CD ARG A 57 0.167 13.532 -5.121 1.00 0.00 C ATOM 745 NE ARG A 57 1.140 13.612 -6.206 1.00 0.00 N ATOM 746 CZ ARG A 57 0.982 14.375 -7.282 1.00 0.00 C ATOM 747 NH1 ARG A 57 -0.106 15.121 -7.415 1.00 0.00 N ATOM 748 NH2 ARG A 57 1.913 14.394 -8.226 1.00 0.00 N ATOM 0 H ARG A 57 -3.614 12.728 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.775 10.692 -5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.494 12.283 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.605 11.001 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.816 12.114 -6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.884 13.326 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.167 14.536 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.646 13.115 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 57 1.989 13.051 -6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.824 15.110 -6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.225 15.706 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.752 13.822 -8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.790 14.980 -9.052 1.00 0.00 H new ATOM 759 N PHE A 58 -3.093 9.845 -2.507 1.00 0.00 N ATOM 760 CA PHE A 58 -3.162 8.707 -1.597 1.00 0.00 C ATOM 761 C PHE A 58 -4.227 7.712 -2.049 1.00 0.00 C ATOM 762 O PHE A 58 -3.948 6.528 -2.234 1.00 0.00 O ATOM 763 CB PHE A 58 -3.463 9.183 -0.174 1.00 0.00 C ATOM 764 CG PHE A 58 -3.120 8.171 0.882 1.00 0.00 C ATOM 765 CD1 PHE A 58 -3.791 6.960 0.942 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.128 8.430 1.812 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.479 6.027 1.912 1.00 0.00 C ATOM 768 CE2 PHE A 58 -1.810 7.500 2.785 1.00 0.00 C ATOM 769 CZ PHE A 58 -2.486 6.297 2.834 1.00 0.00 C ATOM 0 H PHE A 58 -3.326 10.741 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.194 8.205 -1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.907 10.100 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.522 9.430 -0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.567 6.743 0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.596 9.369 1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.011 5.088 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.034 7.714 3.505 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.239 5.568 3.592 1.00 0.00 H new ATOM 778 N VAL A 59 -5.449 8.204 -2.225 1.00 0.00 N ATOM 779 CA VAL A 59 -6.558 7.360 -2.655 1.00 0.00 C ATOM 780 C VAL A 59 -6.276 6.736 -4.018 1.00 0.00 C ATOM 781 O VAL A 59 -6.705 5.618 -4.300 1.00 0.00 O ATOM 782 CB VAL A 59 -7.874 8.156 -2.730 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.686 9.422 -3.552 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.986 7.294 -3.308 1.00 0.00 C ATOM 0 H VAL A 59 -5.696 9.182 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.662 6.571 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.161 8.447 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.626 9.972 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.921 10.046 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.375 9.157 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.909 7.873 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.711 6.970 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.137 6.421 -2.673 1.00 0.00 H new ATOM 794 N ALA A 60 -5.552 7.467 -4.859 1.00 0.00 N ATOM 795 CA ALA A 60 -5.210 6.984 -6.192 1.00 0.00 C ATOM 796 C ALA A 60 -4.314 5.754 -6.116 1.00 0.00 C ATOM 797 O ALA A 60 -4.425 4.842 -6.935 1.00 0.00 O ATOM 798 CB ALA A 60 -4.533 8.086 -6.994 1.00 0.00 C ATOM 0 H ALA A 60 -5.191 8.396 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.133 6.697 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.283 7.712 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.208 8.937 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.622 8.400 -6.484 1.00 0.00 H new ATOM 804 N ALA A 61 -3.424 5.734 -5.130 1.00 0.00 N ATOM 805 CA ALA A 61 -2.509 4.614 -4.947 1.00 0.00 C ATOM 806 C ALA A 61 -3.203 3.445 -4.258 1.00 0.00 C ATOM 807 O ALA A 61 -2.921 2.283 -4.551 1.00 0.00 O ATOM 808 CB ALA A 61 -1.291 5.053 -4.148 1.00 0.00 C ATOM 0 H ALA A 61 -3.317 6.482 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.183 4.279 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.616 4.207 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.774 5.851 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.609 5.416 -3.171 1.00 0.00 H new ATOM 814 N ALA A 62 -4.112 3.759 -3.341 1.00 0.00 N ATOM 815 CA ALA A 62 -4.848 2.734 -2.612 1.00 0.00 C ATOM 816 C ALA A 62 -5.511 1.748 -3.568 1.00 0.00 C ATOM 817 O ALA A 62 -5.668 0.570 -3.249 1.00 0.00 O ATOM 818 CB ALA A 62 -5.889 3.374 -1.705 1.00 0.00 C ATOM 0 H ALA A 62 -4.356 4.716 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.138 2.181 -1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.431 2.596 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.394 4.032 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.589 3.953 -2.307 1.00 0.00 H new ATOM 824 N ALA A 63 -5.898 2.238 -4.741 1.00 0.00 N ATOM 825 CA ALA A 63 -6.543 1.400 -5.744 1.00 0.00 C ATOM 826 C ALA A 63 -5.616 0.279 -6.200 1.00 0.00 C ATOM 827 O ALA A 63 -6.070 -0.799 -6.584 1.00 0.00 O ATOM 828 CB ALA A 63 -6.981 2.242 -6.933 1.00 0.00 C ATOM 0 H ALA A 63 -5.776 3.211 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.424 0.946 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.461 1.603 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.686 3.004 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.110 2.723 -7.378 1.00 0.00 H new ATOM 834 N LYS A 64 -4.313 0.538 -6.156 1.00 0.00 N ATOM 835 CA LYS A 64 -3.321 -0.450 -6.564 1.00 0.00 C ATOM 836 C LYS A 64 -3.177 -1.544 -5.510 1.00 0.00 C ATOM 837 O LYS A 64 -3.275 -2.731 -5.818 1.00 0.00 O ATOM 838 CB LYS A 64 -1.968 0.225 -6.801 1.00 0.00 C ATOM 839 CG LYS A 64 -1.180 -0.380 -7.949 1.00 0.00 C ATOM 840 CD LYS A 64 -0.970 -1.872 -7.756 1.00 0.00 C ATOM 841 CE LYS A 64 -0.230 -2.488 -8.934 1.00 0.00 C ATOM 842 NZ LYS A 64 1.197 -2.065 -8.973 1.00 0.00 N ATOM 0 H LYS A 64 -3.919 1.425 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.661 -0.908 -7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.130 1.284 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.374 0.160 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.708 -0.204 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.213 0.117 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.406 -2.046 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.935 -2.364 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.285 -3.575 -8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.721 -2.198 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.654 -2.464 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.251 -1.027 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.684 -2.408 -8.121 1.00 0.00 H new ATOM 852 N VAL A 65 -2.947 -1.135 -4.266 1.00 0.00 N ATOM 853 CA VAL A 65 -2.793 -2.081 -3.167 1.00 0.00 C ATOM 854 C VAL A 65 -4.098 -2.818 -2.890 1.00 0.00 C ATOM 855 O VAL A 65 -4.092 -3.975 -2.473 1.00 0.00 O ATOM 856 CB VAL A 65 -2.332 -1.373 -1.879 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.346 -0.322 -1.455 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.106 -2.387 -0.767 1.00 0.00 C ATOM 0 H VAL A 65 -2.863 -0.155 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.031 -2.799 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.386 -0.870 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.003 0.167 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.454 0.420 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.309 -0.799 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.781 -1.870 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.036 -2.919 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.340 -3.099 -1.074 1.00 0.00 H new ATOM 868 N ASN A 66 -5.216 -2.140 -3.126 1.00 0.00 N ATOM 869 CA ASN A 66 -6.531 -2.732 -2.901 1.00 0.00 C ATOM 870 C ASN A 66 -6.824 -3.813 -3.936 1.00 0.00 C ATOM 871 O ASN A 66 -7.156 -4.947 -3.588 1.00 0.00 O ATOM 872 CB ASN A 66 -7.614 -1.652 -2.954 1.00 0.00 C ATOM 873 CG ASN A 66 -8.981 -2.220 -3.287 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.754 -2.569 -2.394 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.283 -2.318 -4.576 1.00 0.00 N ATOM 0 H ASN A 66 -5.239 -1.181 -3.473 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.532 -3.191 -1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.660 -1.140 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.342 -0.905 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.187 -2.695 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.611 -2.016 -5.282 1.00 0.00 H new ATOM 881 N THR A 67 -6.699 -3.456 -5.210 1.00 0.00 N ATOM 882 CA THR A 67 -6.951 -4.396 -6.296 1.00 0.00 C ATOM 883 C THR A 67 -6.099 -5.650 -6.145 1.00 0.00 C ATOM 884 O THR A 67 -6.605 -6.771 -6.228 1.00 0.00 O ATOM 885 CB THR A 67 -6.666 -3.757 -7.668 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.532 -2.636 -7.876 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.862 -4.770 -8.786 1.00 0.00 C ATOM 0 H THR A 67 -6.425 -2.522 -5.516 1.00 0.00 H new ATOM 0 HA THR A 67 -8.005 -4.668 -6.242 1.00 0.00 H new ATOM 0 HB THR A 67 -5.629 -3.421 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.250 -1.894 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.655 -4.297 -9.746 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.181 -5.609 -8.641 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.890 -5.131 -8.773 1.00 0.00 H new ATOM 895 N LEU A 68 -4.803 -5.457 -5.924 1.00 0.00 N ATOM 896 CA LEU A 68 -3.879 -6.575 -5.761 1.00 0.00 C ATOM 897 C LEU A 68 -4.388 -7.553 -4.705 1.00 0.00 C ATOM 898 O LEU A 68 -4.288 -8.769 -4.870 1.00 0.00 O ATOM 899 CB LEU A 68 -2.491 -6.064 -5.371 1.00 0.00 C ATOM 900 CG LEU A 68 -1.741 -5.277 -6.446 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.672 -4.398 -5.815 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.122 -6.223 -7.465 1.00 0.00 C ATOM 0 H LEU A 68 -4.368 -4.537 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.812 -7.099 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.593 -5.431 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.879 -6.918 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.454 -4.634 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.148 -3.845 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.139 -3.696 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.039 -5.022 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.592 -5.646 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.422 -6.891 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.908 -6.811 -7.940 1.00 0.00 H new ATOM 913 N LEU A 69 -4.938 -7.013 -3.624 1.00 0.00 N ATOM 914 CA LEU A 69 -5.465 -7.837 -2.541 1.00 0.00 C ATOM 915 C LEU A 69 -6.566 -8.762 -3.049 1.00 0.00 C ATOM 916 O LEU A 69 -6.679 -9.907 -2.611 1.00 0.00 O ATOM 917 CB LEU A 69 -6.006 -6.952 -1.417 1.00 0.00 C ATOM 918 CG LEU A 69 -5.160 -6.895 -0.143 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.673 -5.808 0.789 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.159 -8.244 0.558 1.00 0.00 C ATOM 0 H LEU A 69 -5.031 -6.008 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.651 -8.449 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.117 -5.938 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.003 -7.304 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.134 -6.653 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.060 -5.782 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.620 -4.843 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.707 -6.020 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.552 -8.184 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.180 -8.517 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.744 -9.000 -0.108 1.00 0.00 H new ATOM 931 N ASP A 70 -7.373 -8.260 -3.975 1.00 0.00 N ATOM 932 CA ASP A 70 -8.464 -9.043 -4.546 1.00 0.00 C ATOM 933 C ASP A 70 -7.931 -10.084 -5.525 1.00 0.00 C ATOM 934 O ASP A 70 -8.494 -11.172 -5.657 1.00 0.00 O ATOM 935 CB ASP A 70 -9.463 -8.126 -5.253 1.00 0.00 C ATOM 936 CG ASP A 70 -10.902 -8.518 -4.980 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.371 -9.509 -5.578 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.559 -7.834 -4.169 1.00 0.00 O ATOM 0 H ASP A 70 -7.293 -7.314 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.971 -9.561 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.301 -7.098 -4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.280 -8.153 -6.327 1.00 0.00 H new ATOM 942 N VAL A 71 -6.842 -9.746 -6.207 1.00 0.00 N ATOM 943 CA VAL A 71 -6.233 -10.652 -7.173 1.00 0.00 C ATOM 944 C VAL A 71 -5.477 -11.776 -6.473 1.00 0.00 C ATOM 945 O VAL A 71 -5.424 -12.903 -6.965 1.00 0.00 O ATOM 946 CB VAL A 71 -5.266 -9.905 -8.111 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.727 -10.844 -9.180 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.956 -8.706 -8.741 1.00 0.00 C ATOM 0 H VAL A 71 -6.363 -8.851 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.045 -11.077 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.423 -9.542 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.046 -10.299 -9.833 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.193 -11.668 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.555 -11.239 -9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.258 -8.190 -9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.818 -9.043 -9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.287 -8.024 -7.958 1.00 0.00 H new ATOM 958 N ALA A 72 -4.896 -11.461 -5.320 1.00 0.00 N ATOM 959 CA ALA A 72 -4.145 -12.444 -4.549 1.00 0.00 C ATOM 960 C ALA A 72 -5.049 -13.581 -4.081 1.00 0.00 C ATOM 961 O ALA A 72 -4.693 -14.754 -4.191 1.00 0.00 O ATOM 962 CB ALA A 72 -3.470 -11.779 -3.359 1.00 0.00 C ATOM 0 H ALA A 72 -4.931 -10.532 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.377 -12.868 -5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.913 -12.525 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.786 -11.007 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.226 -11.327 -2.717 1.00 0.00 H new ATOM 968 N GLN A 73 -6.218 -13.223 -3.557 1.00 0.00 N ATOM 969 CA GLN A 73 -7.171 -14.214 -3.071 1.00 0.00 C ATOM 970 C GLN A 73 -7.761 -15.015 -4.227 1.00 0.00 C ATOM 971 O GLN A 73 -8.044 -16.204 -4.090 1.00 0.00 O ATOM 972 CB GLN A 73 -8.291 -13.531 -2.284 1.00 0.00 C ATOM 973 CG GLN A 73 -7.789 -12.662 -1.142 1.00 0.00 C ATOM 974 CD GLN A 73 -8.818 -11.646 -0.687 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.731 -11.292 -1.434 1.00 0.00 O ATOM 976 NE2 GLN A 73 -8.676 -11.171 0.545 1.00 0.00 N ATOM 0 H GLN A 73 -6.527 -12.256 -3.459 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.639 -14.900 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.880 -12.917 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.959 -14.293 -1.883 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.514 -13.298 -0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.884 -12.142 -1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.904 -11.492 1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.339 -10.485 0.907 1.00 0.00 H new ATOM 983 N ALA A 74 -7.944 -14.354 -5.365 1.00 0.00 N ATOM 984 CA ALA A 74 -8.498 -15.005 -6.546 1.00 0.00 C ATOM 985 C ALA A 74 -7.488 -15.960 -7.172 1.00 0.00 C ATOM 986 O ALA A 74 -7.854 -17.011 -7.695 1.00 0.00 O ATOM 987 CB ALA A 74 -8.945 -13.964 -7.562 1.00 0.00 C ATOM 0 H ALA A 74 -7.717 -13.368 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.365 -15.589 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.356 -14.464 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.708 -13.325 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.091 -13.355 -7.859 1.00 0.00 H new ATOM 993 N ASN A 75 -6.214 -15.585 -7.116 1.00 0.00 N ATOM 994 CA ASN A 75 -5.150 -16.409 -7.680 1.00 0.00 C ATOM 995 C ASN A 75 -4.832 -17.588 -6.766 1.00 0.00 C ATOM 996 O ASN A 75 -4.537 -18.688 -7.234 1.00 0.00 O ATOM 997 CB ASN A 75 -3.891 -15.568 -7.904 1.00 0.00 C ATOM 998 CG ASN A 75 -3.907 -14.846 -9.237 1.00 0.00 C ATOM 999 OD1 ASN A 75 -4.978 -14.105 -9.495 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -2.967 -14.953 -10.025 1.00 0.00 N flip ATOM 0 H ASN A 75 -5.893 -14.717 -6.687 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.495 -16.798 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.797 -14.838 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.013 -16.212 -7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.164 -15.534 -9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.992 -14.461 -10.918 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.896 -17.351 -5.461 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.616 -18.394 -4.480 1.00 0.00 C ATOM 1008 C LEU A 76 -5.821 -19.312 -4.302 1.00 0.00 C ATOM 1009 O LEU A 76 -5.672 -20.499 -4.015 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.235 -17.769 -3.137 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.919 -16.990 -3.108 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.751 -16.275 -1.776 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.743 -17.920 -3.369 1.00 0.00 C ATOM 0 H LEU A 76 -5.139 -16.446 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.780 -18.989 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.038 -17.098 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.181 -18.563 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.945 -16.240 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.809 -15.726 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.577 -15.579 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.746 -17.007 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.815 -17.349 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.713 -18.693 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.857 -18.385 -4.348 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.015 -18.754 -4.477 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.228 -19.537 -4.334 1.00 0.00 C ATOM 1026 C GLY A 77 -8.621 -19.739 -2.883 1.00 0.00 C ATOM 1027 O GLY A 77 -9.671 -19.268 -2.447 1.00 0.00 O ATOM 0 H GLY A 77 -7.164 -17.773 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.042 -19.040 -4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.087 -20.509 -4.808 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.777 -20.441 -2.135 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.043 -20.705 -0.726 1.00 0.00 C ATOM 1033 C GLU A 78 -8.340 -19.409 0.024 1.00 0.00 C ATOM 1034 O GLU A 78 -9.279 -19.340 0.817 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.852 -21.417 -0.083 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.094 -22.893 0.180 1.00 0.00 C ATOM 1037 CD GLU A 78 -7.540 -23.167 1.604 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -8.761 -23.127 1.860 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.668 -23.420 2.461 1.00 0.00 O ATOM 0 H GLU A 78 -6.903 -20.837 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.919 -21.350 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.982 -21.310 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.610 -20.924 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.852 -23.262 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.179 -23.449 -0.024 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.533 -18.385 -0.234 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.709 -17.091 0.415 1.00 0.00 C ATOM 1046 C ALA A 79 -9.104 -16.531 0.153 1.00 0.00 C ATOM 1047 O ALA A 79 -9.784 -16.081 1.073 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.647 -16.113 -0.062 1.00 0.00 C ATOM 0 H ALA A 79 -6.751 -18.426 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.599 -17.233 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.790 -15.151 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.658 -16.502 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.730 -15.984 -1.141 1.00 0.00 H new ATOM 1533 N ALA B 620 2.733 11.261 10.852 1.00 0.00 N ATOM 1534 CA ALA B 620 3.330 10.330 9.903 1.00 0.00 C ATOM 1535 C ALA B 620 3.254 8.897 10.419 1.00 0.00 C ATOM 1536 O ALA B 620 3.156 7.951 9.639 1.00 0.00 O ATOM 1537 CB ALA B 620 4.775 10.716 9.624 1.00 0.00 C ATOM 0 HA ALA B 620 2.764 10.384 8.973 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.209 10.012 8.914 1.00 0.00 H new ATOM 0 HB2 ALA B 620 4.809 11.722 9.205 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.344 10.691 10.553 1.00 0.00 H new ATOM 1543 N GLY B 621 3.301 8.744 11.739 1.00 0.00 N ATOM 1544 CA GLY B 621 3.238 7.423 12.336 1.00 0.00 C ATOM 1545 C GLY B 621 2.041 6.627 11.855 1.00 0.00 C ATOM 1546 O GLY B 621 2.112 5.405 11.722 1.00 0.00 O ATOM 0 H GLY B 621 3.382 9.512 12.406 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.152 6.877 12.101 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.194 7.519 13.421 1.00 0.00 H new ATOM 1550 N TYR B 622 0.937 7.320 11.595 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.282 6.669 11.131 1.00 0.00 C ATOM 1552 C TYR B 622 -0.060 5.998 9.779 1.00 0.00 C ATOM 1553 O TYR B 622 -0.414 4.836 9.585 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.421 7.686 11.028 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.091 7.979 12.351 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.954 7.059 12.935 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.864 9.176 13.017 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.569 7.323 14.142 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.473 9.449 14.226 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.326 8.519 14.785 1.00 0.00 C ATOM 1561 OH TYR B 622 -3.937 8.786 15.989 1.00 0.00 O ATOM 0 H TYR B 622 0.862 8.332 11.698 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.553 5.902 11.857 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.031 8.616 10.614 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -2.168 7.313 10.327 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.147 6.121 12.435 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.199 9.907 12.582 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.237 6.597 14.581 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.283 10.385 14.731 1.00 0.00 H new ATOM 0 HH TYR B 622 -3.658 9.670 16.308 1.00 0.00 H new ATOM 1570 N ALA B 623 0.528 6.741 8.847 1.00 0.00 N ATOM 1571 CA ALA B 623 0.800 6.219 7.514 1.00 0.00 C ATOM 1572 C ALA B 623 1.615 4.932 7.584 1.00 0.00 C ATOM 1573 O ALA B 623 1.438 4.027 6.770 1.00 0.00 O ATOM 1574 CB ALA B 623 1.527 7.261 6.677 1.00 0.00 C ATOM 0 H ALA B 623 0.825 7.706 8.991 1.00 0.00 H new ATOM 0 HA ALA B 623 -0.154 5.989 7.040 1.00 0.00 H new ATOM 0 HB1 ALA B 623 1.724 6.857 5.684 1.00 0.00 H new ATOM 0 HB2 ALA B 623 0.908 8.154 6.590 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.471 7.519 7.157 1.00 0.00 H new ATOM 1580 N GLY B 624 2.512 4.856 8.563 1.00 0.00 N ATOM 1581 CA GLY B 624 3.341 3.676 8.720 1.00 0.00 C ATOM 1582 C GLY B 624 2.525 2.405 8.836 1.00 0.00 C ATOM 1583 O GLY B 624 3.012 1.315 8.534 1.00 0.00 O ATOM 0 H GLY B 624 2.679 5.591 9.250 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.016 3.594 7.868 1.00 0.00 H new ATOM 0 HA3 GLY B 624 3.962 3.788 9.609 1.00 0.00 H new ATOM 1587 N THR B 625 1.279 2.541 9.278 1.00 0.00 N ATOM 1588 CA THR B 625 0.394 1.396 9.436 1.00 0.00 C ATOM 1589 C THR B 625 0.210 0.655 8.115 1.00 0.00 C ATOM 1590 O THR B 625 0.089 -0.570 8.091 1.00 0.00 O ATOM 1591 CB THR B 625 -0.987 1.821 9.969 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.848 2.438 11.253 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.920 0.623 10.076 1.00 0.00 C ATOM 0 H THR B 625 0.860 3.435 9.533 1.00 0.00 H new ATOM 0 HA THR B 625 0.866 0.731 10.160 1.00 0.00 H new ATOM 0 HB THR B 625 -1.417 2.535 9.267 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.664 3.394 11.138 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.889 0.949 10.455 1.00 0.00 H new ATOM 0 HG22 THR B 625 -2.048 0.172 9.092 1.00 0.00 H new ATOM 0 HG23 THR B 625 -1.492 -0.112 10.758 1.00 0.00 H new ATOM 1601 N LEU B 626 0.191 1.406 7.021 1.00 0.00 N ATOM 1602 CA LEU B 626 0.023 0.822 5.695 1.00 0.00 C ATOM 1603 C LEU B 626 1.243 -0.008 5.307 1.00 0.00 C ATOM 1604 O LEU B 626 1.117 -1.053 4.670 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.211 1.920 4.657 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.566 2.627 4.721 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.697 1.611 4.755 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.632 3.541 5.936 1.00 0.00 C ATOM 0 H LEU B 626 0.290 2.421 7.025 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.847 0.166 5.723 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.573 2.669 4.767 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.098 1.484 3.664 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.680 3.237 3.825 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.653 2.132 4.800 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.661 0.996 3.855 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.588 0.975 5.634 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.603 4.036 5.966 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.497 2.951 6.843 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.844 4.291 5.870 1.00 0.00 H new ATOM 1619 N GLN B 627 2.422 0.465 5.698 1.00 0.00 N ATOM 1620 CA GLN B 627 3.665 -0.235 5.393 1.00 0.00 C ATOM 1621 C GLN B 627 3.769 -1.532 6.188 1.00 0.00 C ATOM 1622 O GLN B 627 4.232 -2.550 5.674 1.00 0.00 O ATOM 1623 CB GLN B 627 4.867 0.661 5.696 1.00 0.00 C ATOM 1624 CG GLN B 627 6.157 0.190 5.042 1.00 0.00 C ATOM 1625 CD GLN B 627 7.392 0.669 5.779 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.609 0.323 6.942 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.211 1.468 5.106 1.00 0.00 N ATOM 0 H GLN B 627 2.543 1.329 6.226 1.00 0.00 H new ATOM 0 HA GLN B 627 3.663 -0.481 4.331 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.648 1.675 5.360 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.012 0.707 6.775 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.163 -0.899 5.001 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.190 0.548 4.013 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.993 1.729 4.145 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.059 1.821 5.550 1.00 0.00 H new ATOM 1634 N SER B 628 3.336 -1.487 7.443 1.00 0.00 N ATOM 1635 CA SER B 628 3.384 -2.658 8.311 1.00 0.00 C ATOM 1636 C SER B 628 2.275 -3.644 7.956 1.00 0.00 C ATOM 1637 O SER B 628 2.529 -4.826 7.720 1.00 0.00 O ATOM 1638 CB SER B 628 3.259 -2.238 9.777 1.00 0.00 C ATOM 1639 OG SER B 628 4.535 -2.071 10.370 1.00 0.00 O ATOM 0 H SER B 628 2.948 -0.652 7.882 1.00 0.00 H new ATOM 0 HA SER B 628 4.345 -3.150 8.162 1.00 0.00 H new ATOM 0 HB2 SER B 628 2.698 -1.306 9.845 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.694 -2.991 10.327 1.00 0.00 H new ATOM 0 HG SER B 628 4.428 -1.801 11.306 1.00 0.00 H new ATOM 1644 N LEU B 629 1.042 -3.149 7.919 1.00 0.00 N ATOM 1645 CA LEU B 629 -0.108 -3.985 7.592 1.00 0.00 C ATOM 1646 C LEU B 629 0.019 -4.561 6.186 1.00 0.00 C ATOM 1647 O LEU B 629 -0.090 -5.770 5.988 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.401 -3.176 7.710 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.649 -3.812 7.096 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.820 -5.238 7.595 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -3.883 -2.981 7.418 1.00 0.00 C ATOM 0 H LEU B 629 0.813 -2.174 8.111 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.138 -4.812 8.301 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -1.595 -2.990 8.766 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.243 -2.206 7.239 1.00 0.00 H new ATOM 0 HG LEU B 629 -2.526 -3.839 6.013 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.713 -5.675 7.148 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -1.948 -5.829 7.315 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.922 -5.234 8.680 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -4.762 -3.448 6.974 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -4.010 -2.923 8.499 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -3.761 -1.977 7.012 1.00 0.00 H new ATOM 1662 N GLY B 630 0.252 -3.686 5.212 1.00 0.00 N ATOM 1663 CA GLY B 630 0.393 -4.127 3.836 1.00 0.00 C ATOM 1664 C GLY B 630 1.515 -5.130 3.662 1.00 0.00 C ATOM 1665 O GLY B 630 1.399 -6.072 2.877 1.00 0.00 O ATOM 0 H GLY B 630 0.346 -2.680 5.351 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.544 -4.573 3.503 1.00 0.00 H new ATOM 0 HA3 GLY B 630 0.580 -3.263 3.198 1.00 0.00 H new ATOM 1669 N ALA B 631 2.606 -4.929 4.393 1.00 0.00 N ATOM 1670 CA ALA B 631 3.755 -5.824 4.315 1.00 0.00 C ATOM 1671 C ALA B 631 3.357 -7.257 4.652 1.00 0.00 C ATOM 1672 O ALA B 631 3.809 -8.203 4.007 1.00 0.00 O ATOM 1673 CB ALA B 631 4.859 -5.347 5.245 1.00 0.00 C ATOM 0 H ALA B 631 2.719 -4.154 5.046 1.00 0.00 H new ATOM 0 HA ALA B 631 4.128 -5.810 3.291 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.710 -6.024 5.177 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.170 -4.343 4.956 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.489 -5.331 6.270 1.00 0.00 H new ATOM 1679 N GLU B 632 2.512 -7.409 5.666 1.00 0.00 N ATOM 1680 CA GLU B 632 2.057 -8.728 6.089 1.00 0.00 C ATOM 1681 C GLU B 632 1.421 -9.483 4.925 1.00 0.00 C ATOM 1682 O GLU B 632 1.498 -10.710 4.852 1.00 0.00 O ATOM 1683 CB GLU B 632 1.053 -8.602 7.237 1.00 0.00 C ATOM 1684 CG GLU B 632 1.705 -8.457 8.602 1.00 0.00 C ATOM 1685 CD GLU B 632 2.340 -9.745 9.085 1.00 0.00 C ATOM 1686 OE1 GLU B 632 2.457 -10.689 8.274 1.00 0.00 O ATOM 1687 OE2 GLU B 632 2.721 -9.812 10.273 1.00 0.00 O ATOM 0 H GLU B 632 2.129 -6.636 6.210 1.00 0.00 H new ATOM 0 HA GLU B 632 2.925 -9.290 6.434 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.413 -7.739 7.056 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.408 -9.481 7.243 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.465 -7.677 8.556 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.957 -8.132 9.325 1.00 0.00 H new ATOM 1692 N ILE B 633 0.794 -8.742 4.018 1.00 0.00 N ATOM 1693 CA ILE B 633 0.146 -9.340 2.857 1.00 0.00 C ATOM 1694 C ILE B 633 1.175 -9.824 1.842 1.00 0.00 C ATOM 1695 O ILE B 633 0.977 -10.841 1.178 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.809 -8.347 2.171 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.881 -7.873 3.155 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.450 -8.987 0.949 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.731 -6.741 2.623 1.00 0.00 C ATOM 0 H ILE B 633 0.721 -7.726 4.065 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.430 -10.191 3.221 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.234 -7.480 1.844 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.527 -8.713 3.409 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.399 -7.552 4.078 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.123 -8.272 0.475 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.674 -9.279 0.242 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.014 -9.869 1.254 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.469 -6.457 3.373 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.096 -5.885 2.396 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.242 -7.065 1.716 1.00 0.00 H new ATOM 1710 N ALA B 634 2.277 -9.088 1.728 1.00 0.00 N ATOM 1711 CA ALA B 634 3.340 -9.444 0.796 1.00 0.00 C ATOM 1712 C ALA B 634 4.063 -10.709 1.245 1.00 0.00 C ATOM 1713 O ALA B 634 4.426 -11.553 0.426 1.00 0.00 O ATOM 1714 CB ALA B 634 4.324 -8.292 0.654 1.00 0.00 C ATOM 0 H ALA B 634 2.456 -8.242 2.269 1.00 0.00 H new ATOM 0 HA ALA B 634 2.887 -9.642 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA B 634 5.113 -8.571 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.802 -7.412 0.279 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.763 -8.067 1.626 1.00 0.00 H new ATOM 1720 N VAL B 635 4.271 -10.834 2.553 1.00 0.00 N ATOM 1721 CA VAL B 635 4.952 -11.995 3.111 1.00 0.00 C ATOM 1722 C VAL B 635 4.022 -13.203 3.168 1.00 0.00 C ATOM 1723 O VAL B 635 4.460 -14.343 3.025 1.00 0.00 O ATOM 1724 CB VAL B 635 5.488 -11.707 4.526 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.344 -11.369 5.471 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.287 -12.892 5.045 1.00 0.00 C ATOM 0 H VAL B 635 3.977 -10.145 3.245 1.00 0.00 H new ATOM 0 HA VAL B 635 5.791 -12.216 2.451 1.00 0.00 H new ATOM 0 HB VAL B 635 6.153 -10.845 4.475 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.741 -11.168 6.466 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.819 -10.487 5.105 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.652 -12.209 5.519 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.658 -12.671 6.046 1.00 0.00 H new ATOM 0 HG22 VAL B 635 5.647 -13.774 5.082 1.00 0.00 H new ATOM 0 HG23 VAL B 635 7.129 -13.082 4.380 1.00 0.00 H new ATOM 1736 N GLU B 636 2.735 -12.941 3.377 1.00 0.00 N ATOM 1737 CA GLU B 636 1.743 -14.007 3.453 1.00 0.00 C ATOM 1738 C GLU B 636 1.629 -14.740 2.120 1.00 0.00 C ATOM 1739 O GLU B 636 1.699 -15.968 2.068 1.00 0.00 O ATOM 1740 CB GLU B 636 0.380 -13.437 3.852 1.00 0.00 C ATOM 1741 CG GLU B 636 0.087 -13.545 5.339 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.352 -13.929 5.624 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -2.202 -13.019 5.713 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.629 -15.139 5.759 1.00 0.00 O ATOM 0 H GLU B 636 2.356 -12.002 3.496 1.00 0.00 H new ATOM 0 HA GLU B 636 2.068 -14.718 4.212 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.333 -12.389 3.556 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.399 -13.960 3.298 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.752 -14.286 5.784 1.00 0.00 H new ATOM 0 HG3 GLU B 636 0.306 -12.591 5.819 1.00 0.00 H new ATOM 1749 N GLN B 637 1.452 -13.979 1.045 1.00 0.00 N ATOM 1750 CA GLN B 637 1.327 -14.557 -0.287 1.00 0.00 C ATOM 1751 C GLN B 637 2.635 -15.209 -0.723 1.00 0.00 C ATOM 1752 O GLN B 637 2.634 -16.173 -1.489 1.00 0.00 O ATOM 1753 CB GLN B 637 0.920 -13.481 -1.296 1.00 0.00 C ATOM 1754 CG GLN B 637 2.046 -12.525 -1.654 1.00 0.00 C ATOM 1755 CD GLN B 637 2.790 -12.945 -2.907 1.00 0.00 C ATOM 1756 OE1 GLN B 637 2.180 -13.262 -3.929 1.00 0.00 O ATOM 1757 NE2 GLN B 637 4.116 -12.948 -2.835 1.00 0.00 N ATOM 0 H GLN B 637 1.392 -12.961 1.071 1.00 0.00 H new ATOM 0 HA GLN B 637 0.554 -15.324 -0.251 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.562 -13.964 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN B 637 0.086 -12.910 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.637 -11.525 -1.797 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.747 -12.467 -0.822 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.580 -12.678 -1.968 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.670 -13.220 -3.647 1.00 0.00 H new ATOM 1764 N ALA B 638 3.749 -14.677 -0.231 1.00 0.00 N ATOM 1765 CA ALA B 638 5.063 -15.209 -0.567 1.00 0.00 C ATOM 1766 C ALA B 638 5.205 -16.656 -0.106 1.00 0.00 C ATOM 1767 O ALA B 638 5.996 -17.419 -0.659 1.00 0.00 O ATOM 1768 CB ALA B 638 6.155 -14.347 0.050 1.00 0.00 C ATOM 0 H ALA B 638 3.767 -13.877 0.402 1.00 0.00 H new ATOM 0 HA ALA B 638 5.169 -15.189 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA B 638 7.131 -14.756 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.075 -13.329 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA B 638 6.042 -14.337 1.134 1.00 0.00 H new ATOM 1774 N ALA B 639 4.434 -17.025 0.911 1.00 0.00 N ATOM 1775 CA ALA B 639 4.472 -18.381 1.445 1.00 0.00 C ATOM 1776 C ALA B 639 3.604 -19.323 0.618 1.00 0.00 C ATOM 1777 O ALA B 639 3.835 -20.532 0.588 1.00 0.00 O ATOM 1778 CB ALA B 639 4.025 -18.389 2.900 1.00 0.00 C ATOM 0 H ALA B 639 3.776 -16.404 1.382 1.00 0.00 H new ATOM 0 HA ALA B 639 5.501 -18.736 1.390 1.00 0.00 H new ATOM 0 HB1 ALA B 639 4.058 -19.408 3.285 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.690 -17.757 3.488 1.00 0.00 H new ATOM 0 HB3 ALA B 639 3.006 -18.008 2.970 1.00 0.00 H new ATOM 1784 N LEU B 640 2.604 -18.761 -0.052 1.00 0.00 N ATOM 1785 CA LEU B 640 1.698 -19.552 -0.880 1.00 0.00 C ATOM 1786 C LEU B 640 2.038 -19.395 -2.358 1.00 0.00 C ATOM 1787 O LEU B 640 1.175 -19.551 -3.222 1.00 0.00 O ATOM 1788 CB LEU B 640 0.249 -19.131 -0.630 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.137 -18.890 0.830 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.464 -18.150 0.915 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.209 -20.207 1.588 1.00 0.00 C ATOM 0 H LEU B 640 2.399 -17.762 -0.039 1.00 0.00 H new ATOM 0 HA LEU B 640 1.816 -20.601 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU B 640 0.055 -18.217 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.407 -19.901 -1.036 1.00 0.00 H new ATOM 0 HG LEU B 640 0.632 -18.271 1.292 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -1.723 -17.987 1.961 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.378 -17.189 0.408 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.243 -18.744 0.436 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.485 -20.015 2.625 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -0.957 -20.852 1.127 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.763 -20.699 1.556 1.00 0.00 H new ATOM 1802 N GLN B 641 3.299 -19.088 -2.642 1.00 0.00 N ATOM 1803 CA GLN B 641 3.752 -18.912 -4.017 1.00 0.00 C ATOM 1804 C GLN B 641 3.426 -20.142 -4.859 1.00 0.00 C ATOM 1805 O GLN B 641 2.955 -20.025 -5.990 1.00 0.00 O ATOM 1806 CB GLN B 641 5.257 -18.641 -4.050 1.00 0.00 C ATOM 1807 CG GLN B 641 5.639 -17.263 -3.533 1.00 0.00 C ATOM 1808 CD GLN B 641 5.516 -16.188 -4.595 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.451 -15.944 -5.358 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.359 -15.538 -4.648 1.00 0.00 N ATOM 0 H GLN B 641 4.026 -18.956 -1.938 1.00 0.00 H new ATOM 0 HA GLN B 641 3.227 -18.055 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.767 -19.398 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.615 -18.748 -5.074 1.00 0.00 H new ATOM 0 HG2 GLN B 641 5.002 -17.007 -2.686 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.664 -17.289 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.611 -15.774 -3.995 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.218 -14.803 -5.341 1.00 0.00 H new ATOM 1817 N SER B 642 3.679 -21.320 -4.299 1.00 0.00 N ATOM 1818 CA SER B 642 3.418 -22.572 -5.000 1.00 0.00 C ATOM 1819 C SER B 642 1.930 -22.721 -5.307 1.00 0.00 C ATOM 1820 O SER B 642 1.547 -23.394 -6.263 1.00 0.00 O ATOM 1821 CB SER B 642 3.898 -23.760 -4.164 1.00 0.00 C ATOM 1822 OG SER B 642 3.737 -23.507 -2.779 1.00 0.00 O ATOM 0 H SER B 642 4.065 -21.434 -3.362 1.00 0.00 H new ATOM 0 HA SER B 642 3.967 -22.554 -5.941 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.338 -24.653 -4.441 1.00 0.00 H new ATOM 0 HB3 SER B 642 4.947 -23.961 -4.381 1.00 0.00 H new ATOM 0 HG SER B 642 4.049 -24.282 -2.266 1.00 0.00 H new ATOM 1827 N ALA B 643 1.097 -22.088 -4.488 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.348 -22.147 -4.672 1.00 0.00 C ATOM 1829 C ALA B 643 -0.796 -21.225 -5.801 1.00 0.00 C ATOM 1830 O ALA B 643 -1.773 -21.507 -6.495 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.060 -21.786 -3.378 1.00 0.00 C ATOM 0 H ALA B 643 1.398 -21.528 -3.690 1.00 0.00 H new ATOM 0 HA ALA B 643 -0.613 -23.168 -4.946 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.138 -21.834 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -0.772 -22.489 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -0.781 -20.776 -3.079 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.077 -20.122 -5.978 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.401 -19.158 -7.023 1.00 0.00 C ATOM 1839 C TRP B 644 -0.521 -19.845 -8.379 1.00 0.00 C ATOM 1840 O TRP B 644 0.153 -20.840 -8.642 1.00 0.00 O ATOM 1841 CB TRP B 644 0.665 -18.063 -7.083 1.00 0.00 C ATOM 1842 CG TRP B 644 0.225 -16.848 -7.844 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.248 -16.676 -9.198 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.300 -15.636 -7.291 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.233 -15.430 -9.521 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.575 -14.772 -8.369 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.566 -15.196 -5.991 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.102 -13.497 -8.186 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.088 -13.930 -5.810 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.353 -13.092 -6.903 1.00 0.00 C ATOM 0 H TRP B 644 0.734 -19.873 -5.411 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.363 -18.705 -6.781 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.933 -17.770 -6.068 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.565 -18.467 -7.546 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.593 -17.411 -9.910 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.321 -15.056 -10.466 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.367 -15.835 -5.143 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.306 -12.850 -9.027 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.296 -13.579 -4.810 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.763 -12.108 -6.729 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.382 -19.306 -9.236 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.588 -19.868 -10.566 1.00 0.00 C ATOM 1862 C GLN B 645 -0.676 -19.199 -11.588 1.00 0.00 C ATOM 1863 O GLN B 645 0.201 -19.841 -12.166 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.051 -19.708 -10.989 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.039 -20.299 -9.997 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.208 -21.797 -10.163 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.984 -22.257 -11.000 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.478 -22.567 -9.364 1.00 0.00 N ATOM 0 H GLN B 645 -1.948 -18.482 -9.034 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.341 -20.929 -10.526 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.269 -18.648 -11.119 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.194 -20.184 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.701 -20.086 -8.983 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.007 -19.812 -10.120 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -2.847 -22.143 -8.684 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.548 -23.582 -9.430 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.887 -17.905 -11.806 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.075 -17.171 -12.759 1.00 0.00 C ATOM 1877 C GLY B 646 -0.777 -16.975 -14.088 1.00 0.00 C ATOM 1878 O GLY B 646 -0.528 -15.995 -14.791 1.00 0.00 O ATOM 0 H GLY B 646 -1.606 -17.352 -11.340 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.181 -16.198 -12.340 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.861 -17.705 -12.921 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.656 -17.908 -14.435 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.396 -17.833 -15.690 1.00 0.00 C ATOM 1884 C ASP B 647 -3.802 -17.288 -15.460 1.00 0.00 C ATOM 1885 O ASP B 647 -4.722 -17.569 -16.228 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.471 -19.213 -16.345 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.395 -19.141 -17.857 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -2.714 -18.071 -18.417 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.017 -20.154 -18.481 1.00 0.00 O ATOM 0 H ASP B 647 -1.874 -18.725 -13.865 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.866 -17.152 -16.356 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -1.656 -19.834 -15.972 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.402 -19.700 -16.054 1.00 0.00 H new ATOM 1893 N THR B 648 -3.963 -16.508 -14.395 1.00 0.00 N ATOM 1894 CA THR B 648 -5.256 -15.926 -14.063 1.00 0.00 C ATOM 1895 C THR B 648 -5.150 -14.416 -13.885 1.00 0.00 C ATOM 1896 O THR B 648 -5.963 -13.803 -13.195 1.00 0.00 O ATOM 1897 CB THR B 648 -5.835 -16.542 -12.775 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.974 -16.261 -11.666 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.003 -18.047 -12.923 1.00 0.00 C ATOM 0 H THR B 648 -3.213 -16.265 -13.748 1.00 0.00 H new ATOM 0 HA THR B 648 -5.924 -16.146 -14.896 1.00 0.00 H new ATOM 0 HB THR B 648 -6.814 -16.098 -12.596 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.351 -16.655 -10.851 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.413 -18.460 -12.001 1.00 0.00 H new ATOM 0 HG22 THR B 648 -6.682 -18.258 -13.749 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.034 -18.503 -13.125 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.142 -13.820 -14.516 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.949 -12.385 -14.416 1.00 0.00 C ATOM 1909 C GLY B 649 -2.558 -12.019 -13.940 1.00 0.00 C ATOM 1910 O GLY B 649 -1.585 -12.151 -14.684 1.00 0.00 O ATOM 0 H GLY B 649 -3.456 -14.305 -15.094 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.128 -11.929 -15.390 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.686 -11.969 -13.729 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.461 -11.556 -12.698 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.178 -11.170 -12.124 1.00 0.00 C ATOM 1916 C ILE B 650 -0.377 -12.394 -11.696 1.00 0.00 C ATOM 1917 O ILE B 650 -0.936 -13.382 -11.218 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.362 -10.241 -10.910 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.138 -8.985 -11.314 1.00 0.00 C ATOM 1920 CG2 ILE B 650 -0.010 -9.867 -10.320 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.372 -8.025 -10.169 1.00 0.00 C ATOM 0 H ILE B 650 -3.256 -11.439 -12.070 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.632 -10.635 -12.901 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.935 -10.771 -10.149 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.592 -8.469 -12.104 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -3.100 -9.281 -11.732 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.156 -9.210 -9.463 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.510 -10.770 -10.001 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.586 -9.353 -11.074 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.927 -7.159 -10.528 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.944 -8.524 -9.387 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.413 -7.700 -9.765 1.00 0.00 H new ATOM 1932 N THR B 651 0.940 -12.323 -11.868 1.00 0.00 N ATOM 1933 CA THR B 651 1.820 -13.424 -11.500 1.00 0.00 C ATOM 1934 C THR B 651 2.507 -13.156 -10.165 1.00 0.00 C ATOM 1935 O THR B 651 2.353 -12.083 -9.581 1.00 0.00 O ATOM 1936 CB THR B 651 2.894 -13.669 -12.575 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.529 -13.007 -13.792 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.069 -15.158 -12.837 1.00 0.00 C ATOM 0 H THR B 651 1.420 -11.513 -12.260 1.00 0.00 H new ATOM 0 HA THR B 651 1.194 -14.312 -11.413 1.00 0.00 H new ATOM 0 HB THR B 651 3.839 -13.266 -12.210 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.218 -13.166 -14.470 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.833 -15.306 -13.600 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.374 -15.656 -11.917 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.125 -15.580 -13.182 1.00 0.00 H new ATOM 1946 N TYR B 652 3.263 -14.138 -9.687 1.00 0.00 N ATOM 1947 CA TYR B 652 3.973 -14.008 -8.419 1.00 0.00 C ATOM 1948 C TYR B 652 5.064 -12.946 -8.511 1.00 0.00 C ATOM 1949 O TYR B 652 5.291 -12.192 -7.566 1.00 0.00 O ATOM 1950 CB TYR B 652 4.585 -15.350 -8.014 1.00 0.00 C ATOM 1951 CG TYR B 652 5.621 -15.862 -8.989 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.255 -16.654 -10.071 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.967 -15.555 -8.829 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.197 -17.124 -10.964 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.916 -16.020 -9.718 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.527 -16.805 -10.783 1.00 0.00 C ATOM 1957 OH TYR B 652 8.470 -17.271 -11.670 1.00 0.00 O ATOM 0 H TYR B 652 3.400 -15.032 -10.158 1.00 0.00 H new ATOM 0 HA TYR B 652 3.255 -13.699 -7.660 1.00 0.00 H new ATOM 0 HB2 TYR B 652 5.043 -15.249 -7.030 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.789 -16.089 -7.921 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.215 -16.906 -10.216 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.276 -14.942 -7.995 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.895 -17.738 -11.800 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.958 -15.770 -9.580 1.00 0.00 H new ATOM 0 HH TYR B 652 9.357 -16.955 -11.400 1.00 0.00 H new ATOM 1966 N GLN B 653 5.734 -12.892 -9.658 1.00 0.00 N ATOM 1967 CA GLN B 653 6.801 -11.923 -9.875 1.00 0.00 C ATOM 1968 C GLN B 653 6.232 -10.523 -10.072 1.00 0.00 C ATOM 1969 O GLN B 653 6.770 -9.544 -9.555 1.00 0.00 O ATOM 1970 CB GLN B 653 7.641 -12.321 -11.089 1.00 0.00 C ATOM 1971 CG GLN B 653 6.838 -12.436 -12.374 1.00 0.00 C ATOM 1972 CD GLN B 653 7.668 -12.938 -13.539 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.364 -13.974 -14.131 1.00 0.00 O ATOM 1974 NE2 GLN B 653 8.723 -12.205 -13.874 1.00 0.00 N ATOM 0 H GLN B 653 5.556 -13.508 -10.451 1.00 0.00 H new ATOM 0 HA GLN B 653 7.437 -11.916 -8.990 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.432 -11.585 -11.230 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.126 -13.276 -10.887 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.998 -13.112 -12.214 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.419 -11.461 -12.625 1.00 0.00 H new ATOM 0 HE21 GLN B 653 8.938 -11.353 -13.356 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.319 -12.494 -14.650 1.00 0.00 H new ATOM 1981 N ALA B 654 5.140 -10.433 -10.825 1.00 0.00 N ATOM 1982 CA ALA B 654 4.496 -9.152 -11.089 1.00 0.00 C ATOM 1983 C ALA B 654 3.818 -8.609 -9.836 1.00 0.00 C ATOM 1984 O ALA B 654 3.922 -7.423 -9.527 1.00 0.00 O ATOM 1985 CB ALA B 654 3.488 -9.291 -12.220 1.00 0.00 C ATOM 0 H ALA B 654 4.683 -11.233 -11.263 1.00 0.00 H new ATOM 0 HA ALA B 654 5.266 -8.442 -11.389 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.015 -8.327 -12.406 1.00 0.00 H new ATOM 0 HB2 ALA B 654 3.998 -9.625 -13.123 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.727 -10.021 -11.942 1.00 0.00 H new ATOM 1991 N TRP B 655 3.124 -9.485 -9.119 1.00 0.00 N ATOM 1992 CA TRP B 655 2.426 -9.092 -7.900 1.00 0.00 C ATOM 1993 C TRP B 655 3.407 -8.556 -6.861 1.00 0.00 C ATOM 1994 O TRP B 655 3.146 -7.540 -6.217 1.00 0.00 O ATOM 1995 CB TRP B 655 1.654 -10.281 -7.324 1.00 0.00 C ATOM 1996 CG TRP B 655 0.696 -9.896 -6.237 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.661 -9.785 -6.341 1.00 0.00 C ATOM 1998 CD2 TRP B 655 1.024 -9.570 -4.882 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.196 -9.409 -5.133 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.184 -9.272 -4.221 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.219 -9.502 -4.162 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.227 -8.912 -2.877 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 2.175 -9.145 -2.827 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.958 -8.853 -2.196 1.00 0.00 C ATOM 0 H TRP B 655 3.029 -10.472 -9.360 1.00 0.00 H new ATOM 0 HA TRP B 655 1.722 -8.299 -8.153 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.104 -10.771 -8.127 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.363 -11.010 -6.932 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.230 -9.966 -7.241 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.187 -9.257 -4.946 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.162 -9.725 -4.640 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.164 -8.687 -2.389 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 3.093 -9.090 -2.261 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.956 -8.576 -1.152 1.00 0.00 H new ATOM 2014 N GLN B 656 4.532 -9.246 -6.705 1.00 0.00 N ATOM 2015 CA GLN B 656 5.550 -8.838 -5.744 1.00 0.00 C ATOM 2016 C GLN B 656 6.025 -7.416 -6.026 1.00 0.00 C ATOM 2017 O GLN B 656 5.971 -6.549 -5.155 1.00 0.00 O ATOM 2018 CB GLN B 656 6.736 -9.802 -5.785 1.00 0.00 C ATOM 2019 CG GLN B 656 6.529 -11.057 -4.953 1.00 0.00 C ATOM 2020 CD GLN B 656 7.412 -11.093 -3.722 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.038 -10.594 -2.660 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.593 -11.686 -3.857 1.00 0.00 N ATOM 0 H GLN B 656 4.762 -10.089 -7.231 1.00 0.00 H new ATOM 0 HA GLN B 656 5.106 -8.863 -4.749 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.925 -10.089 -6.819 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.627 -9.284 -5.430 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.484 -11.118 -4.648 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.733 -11.934 -5.568 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.863 -12.086 -4.755 1.00 0.00 H new ATOM 0 HE22 GLN B 656 9.230 -11.741 -3.062 1.00 0.00 H new ATOM 2029 N ALA B 657 6.492 -7.184 -7.249 1.00 0.00 N ATOM 2030 CA ALA B 657 6.976 -5.868 -7.646 1.00 0.00 C ATOM 2031 C ALA B 657 5.859 -4.832 -7.586 1.00 0.00 C ATOM 2032 O ALA B 657 6.045 -3.735 -7.059 1.00 0.00 O ATOM 2033 CB ALA B 657 7.573 -5.925 -9.044 1.00 0.00 C ATOM 0 H ALA B 657 6.545 -7.891 -7.982 1.00 0.00 H new ATOM 0 HA ALA B 657 7.753 -5.566 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.930 -4.935 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.405 -6.629 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.811 -6.252 -9.752 1.00 0.00 H new ATOM 2039 N GLN B 658 4.700 -5.187 -8.132 1.00 0.00 N ATOM 2040 CA GLN B 658 3.553 -4.285 -8.142 1.00 0.00 C ATOM 2041 C GLN B 658 3.199 -3.840 -6.727 1.00 0.00 C ATOM 2042 O GLN B 658 3.091 -2.646 -6.450 1.00 0.00 O ATOM 2043 CB GLN B 658 2.348 -4.967 -8.792 1.00 0.00 C ATOM 2044 CG GLN B 658 2.352 -4.889 -10.311 1.00 0.00 C ATOM 2045 CD GLN B 658 1.012 -5.257 -10.917 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.140 -4.405 -11.088 1.00 0.00 O ATOM 2047 NE2 GLN B 658 0.841 -6.532 -11.246 1.00 0.00 N ATOM 0 H GLN B 658 4.530 -6.091 -8.573 1.00 0.00 H new ATOM 0 HA GLN B 658 3.820 -3.403 -8.724 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.327 -6.014 -8.490 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.434 -4.508 -8.415 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.620 -3.878 -10.619 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.120 -5.556 -10.703 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.591 -7.205 -11.087 1.00 0.00 H new ATOM 0 HE22 GLN B 658 -0.040 -6.839 -11.658 1.00 0.00 H new ATOM 2054 N TRP B 659 3.018 -4.808 -5.835 1.00 0.00 N ATOM 2055 CA TRP B 659 2.675 -4.516 -4.448 1.00 0.00 C ATOM 2056 C TRP B 659 3.650 -3.510 -3.847 1.00 0.00 C ATOM 2057 O TRP B 659 3.241 -2.498 -3.281 1.00 0.00 O ATOM 2058 CB TRP B 659 2.674 -5.802 -3.620 1.00 0.00 C ATOM 2059 CG TRP B 659 2.221 -5.597 -2.206 1.00 0.00 C ATOM 2060 CD1 TRP B 659 3.013 -5.379 -1.116 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.870 -5.591 -1.731 1.00 0.00 C ATOM 2062 NE1 TRP B 659 2.237 -5.240 0.009 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.918 -5.365 -0.342 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.375 -5.754 -2.344 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.231 -5.299 0.442 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.515 -5.690 -1.565 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.436 -5.462 -0.185 1.00 0.00 C ATOM 0 H TRP B 659 3.103 -5.802 -6.048 1.00 0.00 H new ATOM 0 HA TRP B 659 1.676 -4.080 -4.430 1.00 0.00 H new ATOM 0 HB2 TRP B 659 2.024 -6.534 -4.100 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.679 -6.223 -3.615 1.00 0.00 H new ATOM 0 HD1 TRP B 659 4.091 -5.324 -1.135 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.586 -5.071 0.953 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.445 -5.927 -3.408 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.173 -5.125 1.506 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.482 -5.818 -2.028 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.345 -5.414 0.396 1.00 0.00 H new ATOM 2077 N ASN B 660 4.942 -3.796 -3.973 1.00 0.00 N ATOM 2078 CA ASN B 660 5.976 -2.916 -3.442 1.00 0.00 C ATOM 2079 C ASN B 660 5.770 -1.483 -3.922 1.00 0.00 C ATOM 2080 O ASN B 660 5.713 -0.551 -3.121 1.00 0.00 O ATOM 2081 CB ASN B 660 7.361 -3.412 -3.858 1.00 0.00 C ATOM 2082 CG ASN B 660 8.373 -3.315 -2.732 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.643 -2.230 -2.217 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.938 -4.452 -2.346 1.00 0.00 N ATOM 0 H ASN B 660 5.298 -4.631 -4.439 1.00 0.00 H new ATOM 0 HA ASN B 660 5.906 -2.929 -2.354 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.288 -4.448 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.712 -2.829 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.627 -4.450 -1.594 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.684 -5.328 -2.802 1.00 0.00 H new ATOM 2090 N GLN B 661 5.659 -1.316 -5.236 1.00 0.00 N ATOM 2091 CA GLN B 661 5.458 0.004 -5.824 1.00 0.00 C ATOM 2092 C GLN B 661 4.262 0.706 -5.192 1.00 0.00 C ATOM 2093 O GLN B 661 4.339 1.878 -4.823 1.00 0.00 O ATOM 2094 CB GLN B 661 5.257 -0.113 -7.335 1.00 0.00 C ATOM 2095 CG GLN B 661 6.539 -0.402 -8.100 1.00 0.00 C ATOM 2096 CD GLN B 661 7.597 0.664 -7.891 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.294 1.778 -7.461 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.844 0.328 -8.195 1.00 0.00 N ATOM 0 H GLN B 661 5.705 -2.077 -5.913 1.00 0.00 H new ATOM 0 HA GLN B 661 6.349 0.600 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.537 -0.906 -7.537 1.00 0.00 H new ATOM 0 HB3 GLN B 661 4.823 0.814 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN B 661 6.935 -1.368 -7.786 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.313 -0.481 -9.163 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.049 -0.607 -8.548 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.598 1.004 -8.075 1.00 0.00 H new ATOM 2105 N ALA B 662 3.154 -0.019 -5.070 1.00 0.00 N ATOM 2106 CA ALA B 662 1.940 0.534 -4.481 1.00 0.00 C ATOM 2107 C ALA B 662 2.174 0.954 -3.034 1.00 0.00 C ATOM 2108 O ALA B 662 1.822 2.064 -2.635 1.00 0.00 O ATOM 2109 CB ALA B 662 0.807 -0.477 -4.563 1.00 0.00 C ATOM 0 H ALA B 662 3.072 -0.990 -5.371 1.00 0.00 H new ATOM 0 HA ALA B 662 1.662 1.422 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.093 -0.051 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.615 -0.725 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.086 -1.381 -4.021 1.00 0.00 H new ATOM 2115 N MET B 663 2.771 0.060 -2.252 1.00 0.00 N ATOM 2116 CA MET B 663 3.052 0.340 -0.849 1.00 0.00 C ATOM 2117 C MET B 663 3.818 1.650 -0.698 1.00 0.00 C ATOM 2118 O MET B 663 3.370 2.566 -0.011 1.00 0.00 O ATOM 2119 CB MET B 663 3.852 -0.807 -0.229 1.00 0.00 C ATOM 2120 CG MET B 663 3.920 -0.750 1.288 1.00 0.00 C ATOM 2121 SD MET B 663 2.685 -1.800 2.078 1.00 0.00 S ATOM 2122 CE MET B 663 1.194 -0.854 1.779 1.00 0.00 C ATOM 0 H MET B 663 3.069 -0.864 -2.566 1.00 0.00 H new ATOM 0 HA MET B 663 2.101 0.435 -0.326 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.405 -1.755 -0.529 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.865 -0.791 -0.631 1.00 0.00 H new ATOM 0 HG2 MET B 663 4.914 -1.055 1.615 1.00 0.00 H new ATOM 0 HG3 MET B 663 3.779 0.280 1.616 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.421 -1.161 2.483 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.404 0.207 1.911 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.849 -1.032 0.761 1.00 0.00 H new ATOM 2130 N GLU B 664 4.977 1.730 -1.346 1.00 0.00 N ATOM 2131 CA GLU B 664 5.805 2.929 -1.282 1.00 0.00 C ATOM 2132 C GLU B 664 4.994 4.170 -1.638 1.00 0.00 C ATOM 2133 O GLU B 664 5.204 5.245 -1.075 1.00 0.00 O ATOM 2134 CB GLU B 664 7.002 2.800 -2.226 1.00 0.00 C ATOM 2135 CG GLU B 664 7.906 4.021 -2.235 1.00 0.00 C ATOM 2136 CD GLU B 664 9.275 3.729 -2.815 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.602 2.538 -2.997 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.021 4.693 -3.088 1.00 0.00 O ATOM 0 H GLU B 664 5.363 0.980 -1.920 1.00 0.00 H new ATOM 0 HA GLU B 664 6.168 3.035 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.588 1.927 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.638 2.621 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.433 4.815 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.019 4.392 -1.216 1.00 0.00 H new ATOM 2143 N ASP B 665 4.067 4.015 -2.576 1.00 0.00 N ATOM 2144 CA ASP B 665 3.222 5.123 -3.008 1.00 0.00 C ATOM 2145 C ASP B 665 2.320 5.594 -1.872 1.00 0.00 C ATOM 2146 O ASP B 665 2.234 6.790 -1.588 1.00 0.00 O ATOM 2147 CB ASP B 665 2.373 4.707 -4.211 1.00 0.00 C ATOM 2148 CG ASP B 665 1.830 5.897 -4.976 1.00 0.00 C ATOM 2149 OD1 ASP B 665 1.945 7.032 -4.467 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.287 5.694 -6.082 1.00 0.00 O ATOM 0 H ASP B 665 3.881 3.133 -3.053 1.00 0.00 H new ATOM 0 HA ASP B 665 3.871 5.949 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP B 665 2.974 4.092 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.543 4.089 -3.870 1.00 0.00 H new ATOM 2154 N LEU B 666 1.649 4.648 -1.225 1.00 0.00 N ATOM 2155 CA LEU B 666 0.752 4.966 -0.119 1.00 0.00 C ATOM 2156 C LEU B 666 1.506 5.659 1.011 1.00 0.00 C ATOM 2157 O LEU B 666 1.019 6.627 1.595 1.00 0.00 O ATOM 2158 CB LEU B 666 0.084 3.693 0.403 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.563 2.793 -0.651 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.457 1.332 -0.243 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.018 3.185 -0.868 1.00 0.00 C ATOM 0 H LEU B 666 1.709 3.654 -1.447 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.015 5.646 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.831 3.109 0.941 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -0.680 3.978 1.127 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.029 2.926 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -0.923 0.707 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU B 666 0.593 1.058 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -0.965 1.182 0.710 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.462 2.534 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.566 3.083 0.069 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.069 4.220 -1.207 1.00 0.00 H new ATOM 2172 N VAL B 667 2.699 5.158 1.314 1.00 0.00 N ATOM 2173 CA VAL B 667 3.523 5.731 2.372 1.00 0.00 C ATOM 2174 C VAL B 667 3.898 7.174 2.057 1.00 0.00 C ATOM 2175 O VAL B 667 3.712 8.070 2.881 1.00 0.00 O ATOM 2176 CB VAL B 667 4.810 4.913 2.587 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.540 5.383 3.836 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.489 3.428 2.674 1.00 0.00 C ATOM 0 H VAL B 667 3.117 4.356 0.842 1.00 0.00 H new ATOM 0 HA VAL B 667 2.928 5.705 3.285 1.00 0.00 H new ATOM 0 HB VAL B 667 5.467 5.070 1.731 1.00 0.00 H new ATOM 0 HG11 VAL B 667 6.447 4.793 3.971 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.804 6.435 3.729 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.893 5.258 4.704 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.410 2.865 2.826 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.813 3.250 3.510 1.00 0.00 H new ATOM 0 HG23 VAL B 667 4.014 3.104 1.748 1.00 0.00 H new ATOM 2188 N ARG B 668 4.428 7.393 0.857 1.00 0.00 N ATOM 2189 CA ARG B 668 4.830 8.728 0.432 1.00 0.00 C ATOM 2190 C ARG B 668 3.617 9.643 0.293 1.00 0.00 C ATOM 2191 O ARG B 668 3.714 10.853 0.498 1.00 0.00 O ATOM 2192 CB ARG B 668 5.585 8.658 -0.897 1.00 0.00 C ATOM 2193 CG ARG B 668 6.753 7.686 -0.883 1.00 0.00 C ATOM 2194 CD ARG B 668 8.086 8.416 -0.930 1.00 0.00 C ATOM 2195 NE ARG B 668 8.851 8.084 -2.128 1.00 0.00 N ATOM 2196 CZ ARG B 668 8.641 8.648 -3.314 1.00 0.00 C ATOM 2197 NH1 ARG B 668 7.696 9.566 -3.456 1.00 0.00 N ATOM 2198 NH2 ARG B 668 9.378 8.294 -4.358 1.00 0.00 N ATOM 0 H ARG B 668 4.589 6.663 0.163 1.00 0.00 H new ATOM 0 HA ARG B 668 5.489 9.141 1.195 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.890 8.367 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.954 9.652 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG B 668 6.705 7.071 0.016 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.676 7.011 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.911 9.491 -0.898 1.00 0.00 H new ATOM 0 HD3 ARG B 668 8.670 8.162 -0.045 1.00 0.00 H new ATOM 0 HE ARG B 668 9.586 7.381 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG B 668 7.128 9.841 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG B 668 7.537 9.997 -4.366 1.00 0.00 H new ATOM 0 HH21 ARG B 668 10.107 7.588 -4.252 1.00 0.00 H new ATOM 0 HH22 ARG B 668 9.216 8.727 -5.267 1.00 0.00 H new ATOM 2209 N ALA B 669 2.477 9.057 -0.057 1.00 0.00 N ATOM 2210 CA ALA B 669 1.246 9.819 -0.221 1.00 0.00 C ATOM 2211 C ALA B 669 0.909 10.599 1.045 1.00 0.00 C ATOM 2212 O ALA B 669 0.256 11.642 0.988 1.00 0.00 O ATOM 2213 CB ALA B 669 0.097 8.892 -0.593 1.00 0.00 C ATOM 0 H ALA B 669 2.381 8.057 -0.232 1.00 0.00 H new ATOM 0 HA ALA B 669 1.397 10.536 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.816 9.475 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.328 8.384 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.044 8.153 0.196 1.00 0.00 H new ATOM 2219 N TYR B 670 1.357 10.088 2.186 1.00 0.00 N ATOM 2220 CA TYR B 670 1.100 10.735 3.466 1.00 0.00 C ATOM 2221 C TYR B 670 2.150 11.804 3.757 1.00 0.00 C ATOM 2222 O TYR B 670 1.825 12.976 3.947 1.00 0.00 O ATOM 2223 CB TYR B 670 1.087 9.700 4.592 1.00 0.00 C ATOM 2224 CG TYR B 670 0.499 10.218 5.885 1.00 0.00 C ATOM 2225 CD1 TYR B 670 1.154 11.193 6.627 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -0.712 9.734 6.364 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.621 11.669 7.810 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -1.253 10.205 7.544 1.00 0.00 C ATOM 2229 CZ TYR B 670 -0.583 11.173 8.264 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.118 11.644 9.441 1.00 0.00 O ATOM 0 H TYR B 670 1.900 9.227 2.250 1.00 0.00 H new ATOM 0 HA TYR B 670 0.123 11.215 3.411 1.00 0.00 H new ATOM 0 HB2 TYR B 670 0.517 8.829 4.267 1.00 0.00 H new ATOM 0 HB3 TYR B 670 2.107 9.363 4.776 1.00 0.00 H new ATOM 0 HD1 TYR B 670 2.096 11.586 6.273 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -1.239 8.976 5.804 1.00 0.00 H new ATOM 0 HE1 TYR B 670 1.145 12.425 8.376 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -2.196 9.818 7.902 1.00 0.00 H new ATOM 0 HH TYR B 670 -1.970 11.192 9.617 1.00 0.00 H new ATOM 2239 N HIS B 671 3.414 11.390 3.790 1.00 0.00 N ATOM 2240 CA HIS B 671 4.513 12.310 4.055 1.00 0.00 C ATOM 2241 C HIS B 671 4.503 13.470 3.064 1.00 0.00 C ATOM 2242 O HIS B 671 4.973 14.565 3.371 1.00 0.00 O ATOM 2243 CB HIS B 671 5.851 11.573 3.982 1.00 0.00 C ATOM 2244 CG HIS B 671 7.026 12.428 4.346 1.00 0.00 C ATOM 2245 ND1 HIS B 671 7.130 13.092 5.550 1.00 0.00 N ATOM 2246 CD2 HIS B 671 8.152 12.726 3.656 1.00 0.00 C ATOM 2247 CE1 HIS B 671 8.269 13.762 5.585 1.00 0.00 C ATOM 2248 NE2 HIS B 671 8.908 13.555 4.447 1.00 0.00 N ATOM 0 H HIS B 671 3.701 10.423 3.636 1.00 0.00 H new ATOM 0 HA HIS B 671 4.382 12.713 5.059 1.00 0.00 H new ATOM 0 HB2 HIS B 671 5.819 10.711 4.649 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.990 11.189 2.971 1.00 0.00 H new ATOM 0 HD2 HIS B 671 8.408 12.376 2.667 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.618 14.374 6.404 1.00 0.00 H new ATOM 0 HE2 HIS B 671 9.816 13.947 4.197 1.00 0.00 H new ATOM 2255 N ALA B 672 3.964 13.221 1.875 1.00 0.00 N ATOM 2256 CA ALA B 672 3.891 14.244 0.840 1.00 0.00 C ATOM 2257 C ALA B 672 2.869 15.318 1.199 1.00 0.00 C ATOM 2258 O ALA B 672 3.167 16.510 1.155 1.00 0.00 O ATOM 2259 CB ALA B 672 3.548 13.614 -0.502 1.00 0.00 C ATOM 0 H ALA B 672 3.571 12.319 1.605 1.00 0.00 H new ATOM 0 HA ALA B 672 4.869 14.720 0.766 1.00 0.00 H new ATOM 0 HB1 ALA B 672 3.497 14.390 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA B 672 4.317 12.890 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA B 672 2.584 13.110 -0.432 1.00 0.00 H new ATOM 2265 N MET B 673 1.664 14.884 1.555 1.00 0.00 N ATOM 2266 CA MET B 673 0.598 15.809 1.923 1.00 0.00 C ATOM 2267 C MET B 673 1.056 16.754 3.030 1.00 0.00 C ATOM 2268 O MET B 673 0.741 17.944 3.012 1.00 0.00 O ATOM 2269 CB MET B 673 -0.642 15.037 2.375 1.00 0.00 C ATOM 2270 CG MET B 673 -1.736 15.926 2.947 1.00 0.00 C ATOM 2271 SD MET B 673 -1.890 15.774 4.737 1.00 0.00 S ATOM 2272 CE MET B 673 -2.393 14.061 4.890 1.00 0.00 C ATOM 0 H MET B 673 1.402 13.899 1.596 1.00 0.00 H new ATOM 0 HA MET B 673 0.347 16.403 1.044 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.043 14.481 1.528 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.350 14.304 3.127 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.526 16.964 2.691 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.688 15.670 2.481 1.00 0.00 H new ATOM 0 HE1 MET B 673 -2.973 13.932 5.804 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.003 13.783 4.031 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.509 13.424 4.928 1.00 0.00 H new