USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 417 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 28 ASN : amide:sc= -0.0234 X(o=0.5,f=0.52) USER MOD Set 1.2: A 48 MET CE :methyl 148:sc= 0 (180deg=-0.929) USER MOD Set 1.3: A 58 ASN : amide:sc= 0.523 K(o=0.5,f=-4.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.0367 X(o=0.037,f=-0.0007) USER MOD Single : A 30 MET CE :methyl 161:sc= -0.028 (180deg=-1.13) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -161:sc= -0.31 (180deg=-1.46) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.24) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 7:sc= 0.868 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.295 5.711 14.060 1.00 0.00 N ATOM 331 CA ASP A 23 -14.860 4.447 14.563 1.00 0.00 C ATOM 332 C ASP A 23 -13.959 3.214 14.329 1.00 0.00 C ATOM 333 O ASP A 23 -14.135 2.181 14.986 1.00 0.00 O ATOM 334 CB ASP A 23 -16.242 4.220 13.934 1.00 0.00 C ATOM 335 CG ASP A 23 -17.257 5.290 14.368 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.790 5.197 15.499 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.530 6.225 13.575 1.00 0.00 O ATOM 0 HA ASP A 23 -14.940 4.552 15.645 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.151 4.226 12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.611 3.234 14.217 1.00 0.00 H new ATOM 342 N THR A 24 -12.968 3.296 13.435 1.00 0.00 N ATOM 343 CA THR A 24 -11.940 2.254 13.265 1.00 0.00 C ATOM 344 C THR A 24 -10.971 2.170 14.459 1.00 0.00 C ATOM 345 O THR A 24 -10.417 1.101 14.713 1.00 0.00 O ATOM 346 CB THR A 24 -11.207 2.405 11.919 1.00 0.00 C ATOM 347 OG1 THR A 24 -12.142 2.405 10.856 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.254 1.251 11.615 1.00 0.00 C ATOM 0 H THR A 24 -12.853 4.089 12.804 1.00 0.00 H new ATOM 0 HA THR A 24 -12.460 1.296 13.244 1.00 0.00 H new ATOM 0 HB THR A 24 -10.648 3.337 12.002 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.668 2.503 10.004 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.771 1.422 10.653 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.496 1.190 12.396 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.814 0.316 11.580 1.00 0.00 H new ATOM 356 N ILE A 25 -10.834 3.235 15.263 1.00 0.00 N ATOM 357 CA ILE A 25 -10.104 3.221 16.547 1.00 0.00 C ATOM 358 C ILE A 25 -10.757 2.224 17.518 1.00 0.00 C ATOM 359 O ILE A 25 -10.084 1.351 18.066 1.00 0.00 O ATOM 360 CB ILE A 25 -10.012 4.640 17.167 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.246 5.610 16.232 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.345 4.594 18.556 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.354 7.087 16.632 1.00 0.00 C ATOM 0 H ILE A 25 -11.233 4.147 15.039 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.082 2.893 16.354 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.029 5.014 17.286 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.194 5.326 16.216 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.624 5.492 15.216 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.293 5.602 18.968 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.932 3.960 19.221 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.338 4.188 18.463 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.790 7.697 15.926 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.400 7.392 16.620 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.948 7.223 17.634 1.00 0.00 H new ATOM 375 N PHE A 26 -12.072 2.351 17.732 1.00 0.00 N ATOM 376 CA PHE A 26 -12.821 1.537 18.693 1.00 0.00 C ATOM 377 C PHE A 26 -12.965 0.068 18.260 1.00 0.00 C ATOM 378 O PHE A 26 -12.774 -0.833 19.081 1.00 0.00 O ATOM 379 CB PHE A 26 -14.190 2.191 18.944 1.00 0.00 C ATOM 380 CG PHE A 26 -15.085 1.485 19.955 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.572 1.035 21.189 1.00 0.00 C ATOM 382 CD2 PHE A 26 -16.453 1.298 19.669 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.409 0.389 22.116 1.00 0.00 C ATOM 384 CE2 PHE A 26 -17.293 0.661 20.601 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.771 0.202 21.823 1.00 0.00 C ATOM 0 H PHE A 26 -12.651 3.029 17.237 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.253 1.506 19.623 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.027 3.214 19.283 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.723 2.251 17.995 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.529 1.188 21.424 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.858 1.645 18.730 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.005 0.036 23.054 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.341 0.524 20.377 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.415 -0.293 22.535 1.00 0.00 H new ATOM 395 N GLN A 27 -13.281 -0.199 16.985 1.00 0.00 N ATOM 396 CA GLN A 27 -13.539 -1.569 16.505 1.00 0.00 C ATOM 397 C GLN A 27 -12.292 -2.476 16.444 1.00 0.00 C ATOM 398 O GLN A 27 -12.441 -3.699 16.366 1.00 0.00 O ATOM 399 CB GLN A 27 -14.267 -1.531 15.146 1.00 0.00 C ATOM 400 CG GLN A 27 -13.330 -1.317 13.947 1.00 0.00 C ATOM 401 CD GLN A 27 -14.089 -0.983 12.664 1.00 0.00 C ATOM 402 OE1 GLN A 27 -14.122 -1.749 11.708 1.00 0.00 O ATOM 403 NE2 GLN A 27 -14.726 0.167 12.588 1.00 0.00 N ATOM 0 H GLN A 27 -13.365 0.517 16.263 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.182 -2.030 17.254 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.810 -2.466 15.009 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.008 -0.732 15.163 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.633 -0.510 14.174 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.735 -2.217 13.790 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.707 0.814 13.376 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.239 0.411 11.741 1.00 0.00 H new ATOM 412 N ASN A 28 -11.078 -1.908 16.453 1.00 0.00 N ATOM 413 CA ASN A 28 -9.827 -2.632 16.206 1.00 0.00 C ATOM 414 C ASN A 28 -8.750 -2.310 17.277 1.00 0.00 C ATOM 415 O ASN A 28 -8.005 -1.337 17.128 1.00 0.00 O ATOM 416 CB ASN A 28 -9.380 -2.359 14.755 1.00 0.00 C ATOM 417 CG ASN A 28 -8.527 -3.499 14.240 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.004 -4.429 13.607 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.251 -3.497 14.541 1.00 0.00 N ATOM 0 H ASN A 28 -10.937 -0.914 16.636 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.986 -3.706 16.307 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.254 -2.234 14.116 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.817 -1.427 14.711 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.656 -4.272 14.247 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.853 -2.721 15.069 1.00 0.00 H new ATOM 426 N PRO A 29 -8.628 -3.104 18.363 1.00 0.00 N ATOM 427 CA PRO A 29 -7.864 -2.732 19.565 1.00 0.00 C ATOM 428 C PRO A 29 -6.342 -2.611 19.360 1.00 0.00 C ATOM 429 O PRO A 29 -5.659 -1.983 20.170 1.00 0.00 O ATOM 430 CB PRO A 29 -8.207 -3.800 20.611 1.00 0.00 C ATOM 431 CG PRO A 29 -8.585 -5.018 19.771 1.00 0.00 C ATOM 432 CD PRO A 29 -9.273 -4.395 18.559 1.00 0.00 C ATOM 0 HA PRO A 29 -8.148 -1.726 19.874 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.359 -4.010 21.262 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.030 -3.484 21.252 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.708 -5.599 19.484 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.250 -5.691 20.312 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.162 -5.027 17.678 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.342 -4.276 18.733 1.00 0.00 H new ATOM 440 N MET A 30 -5.810 -3.141 18.251 1.00 0.00 N ATOM 441 CA MET A 30 -4.416 -2.970 17.811 1.00 0.00 C ATOM 442 C MET A 30 -4.007 -1.493 17.649 1.00 0.00 C ATOM 443 O MET A 30 -2.822 -1.172 17.737 1.00 0.00 O ATOM 444 CB MET A 30 -4.215 -3.679 16.464 1.00 0.00 C ATOM 445 CG MET A 30 -4.479 -5.191 16.500 1.00 0.00 C ATOM 446 SD MET A 30 -4.605 -5.993 14.872 1.00 0.00 S ATOM 447 CE MET A 30 -3.151 -5.321 14.024 1.00 0.00 C ATOM 0 H MET A 30 -6.355 -3.720 17.613 1.00 0.00 H new ATOM 0 HA MET A 30 -3.788 -3.403 18.590 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.875 -3.224 15.725 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.193 -3.508 16.126 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.678 -5.670 17.063 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.404 -5.369 17.048 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.903 -5.953 13.171 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.367 -4.311 13.677 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.307 -5.295 14.714 1.00 0.00 H new ATOM 457 N VAL A 31 -4.978 -0.594 17.432 1.00 0.00 N ATOM 458 CA VAL A 31 -4.763 0.853 17.309 1.00 0.00 C ATOM 459 C VAL A 31 -4.064 1.419 18.543 1.00 0.00 C ATOM 460 O VAL A 31 -2.972 1.964 18.423 1.00 0.00 O ATOM 461 CB VAL A 31 -6.089 1.586 17.004 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.936 3.112 17.057 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.595 1.214 15.614 1.00 0.00 C ATOM 0 H VAL A 31 -5.958 -0.861 17.335 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.097 1.024 16.463 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.797 1.274 17.772 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.894 3.582 16.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.607 3.410 18.052 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.198 3.429 16.320 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.529 1.738 15.415 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.853 1.499 14.868 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.765 0.138 15.564 1.00 0.00 H new ATOM 473 N GLN A 32 -4.642 1.257 19.734 1.00 0.00 N ATOM 474 CA GLN A 32 -4.112 1.824 20.985 1.00 0.00 C ATOM 475 C GLN A 32 -2.661 1.387 21.260 1.00 0.00 C ATOM 476 O GLN A 32 -1.830 2.193 21.682 1.00 0.00 O ATOM 477 CB GLN A 32 -5.029 1.432 22.156 1.00 0.00 C ATOM 478 CG GLN A 32 -6.452 2.000 22.013 1.00 0.00 C ATOM 479 CD GLN A 32 -7.329 1.625 23.208 1.00 0.00 C ATOM 480 OE1 GLN A 32 -8.008 0.605 23.223 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.351 2.422 24.256 1.00 0.00 N ATOM 0 H GLN A 32 -5.501 0.723 19.864 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.095 2.909 20.879 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.081 0.345 22.223 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.592 1.788 23.089 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.404 3.085 21.922 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.905 1.623 21.096 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.792 3.275 24.260 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.927 2.186 25.064 1.00 0.00 H new ATOM 490 N GLU A 33 -2.337 0.125 20.964 1.00 0.00 N ATOM 491 CA GLU A 33 -0.987 -0.438 21.069 1.00 0.00 C ATOM 492 C GLU A 33 0.020 0.216 20.098 1.00 0.00 C ATOM 493 O GLU A 33 1.183 0.397 20.460 1.00 0.00 O ATOM 494 CB GLU A 33 -1.086 -1.959 20.860 1.00 0.00 C ATOM 495 CG GLU A 33 0.236 -2.729 21.014 1.00 0.00 C ATOM 496 CD GLU A 33 0.897 -2.590 22.405 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.195 -2.349 23.422 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.137 -2.754 22.496 1.00 0.00 O ATOM 0 H GLU A 33 -3.025 -0.552 20.636 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.592 -0.223 22.062 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.807 -2.361 21.572 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.483 -2.147 19.863 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.053 -3.785 20.816 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.937 -2.380 20.256 1.00 0.00 H new ATOM 505 N ALA A 34 -0.403 0.631 18.898 1.00 0.00 N ATOM 506 CA ALA A 34 0.438 1.392 17.972 1.00 0.00 C ATOM 507 C ALA A 34 0.795 2.788 18.526 1.00 0.00 C ATOM 508 O ALA A 34 1.979 3.123 18.604 1.00 0.00 O ATOM 509 CB ALA A 34 -0.231 1.460 16.593 1.00 0.00 C ATOM 0 H ALA A 34 -1.341 0.447 18.543 1.00 0.00 H new ATOM 0 HA ALA A 34 1.388 0.869 17.859 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.401 2.028 15.910 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.369 0.451 16.205 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.200 1.950 16.683 1.00 0.00 H new ATOM 515 N ILE A 35 -0.186 3.591 18.970 1.00 0.00 N ATOM 516 CA ILE A 35 0.095 4.897 19.611 1.00 0.00 C ATOM 517 C ILE A 35 1.027 4.736 20.825 1.00 0.00 C ATOM 518 O ILE A 35 1.972 5.513 20.980 1.00 0.00 O ATOM 519 CB ILE A 35 -1.194 5.676 19.976 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.953 6.151 18.713 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.893 6.924 20.828 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.154 5.264 18.398 1.00 0.00 C ATOM 0 H ILE A 35 -1.178 3.365 18.900 1.00 0.00 H new ATOM 0 HA ILE A 35 0.616 5.503 18.869 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.806 4.976 20.544 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.289 7.178 18.857 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.272 6.155 17.862 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.825 7.439 21.060 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.404 6.623 21.754 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.237 7.594 20.273 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.656 5.635 17.504 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.816 4.242 18.227 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.849 5.281 19.238 1.00 0.00 H new ATOM 534 N ARG A 36 0.827 3.697 21.650 1.00 0.00 N ATOM 535 CA ARG A 36 1.686 3.366 22.803 1.00 0.00 C ATOM 536 C ARG A 36 3.173 3.196 22.443 1.00 0.00 C ATOM 537 O ARG A 36 4.027 3.571 23.248 1.00 0.00 O ATOM 538 CB ARG A 36 1.102 2.132 23.515 1.00 0.00 C ATOM 539 CG ARG A 36 1.922 1.663 24.728 1.00 0.00 C ATOM 540 CD ARG A 36 1.283 0.441 25.392 1.00 0.00 C ATOM 541 NE ARG A 36 0.057 0.786 26.138 1.00 0.00 N ATOM 542 CZ ARG A 36 -0.926 -0.032 26.467 1.00 0.00 C ATOM 543 NH1 ARG A 36 -1.004 -1.252 26.008 1.00 0.00 N ATOM 544 NH2 ARG A 36 -1.861 0.371 27.282 1.00 0.00 N ATOM 0 H ARG A 36 0.048 3.049 21.534 1.00 0.00 H new ATOM 0 HA ARG A 36 1.680 4.215 23.486 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.087 2.360 23.842 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.030 1.313 22.800 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.936 1.419 24.412 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.000 2.474 25.452 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.045 -0.301 24.630 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.002 -0.018 26.071 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.041 1.758 26.430 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.289 -1.604 25.371 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.780 -1.853 26.286 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.832 1.316 27.664 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.621 -0.259 27.537 1.00 0.00 H new ATOM 558 N MET A 37 3.508 2.694 21.248 1.00 0.00 N ATOM 559 CA MET A 37 4.903 2.595 20.775 1.00 0.00 C ATOM 560 C MET A 37 5.525 3.936 20.325 1.00 0.00 C ATOM 561 O MET A 37 6.737 3.997 20.105 1.00 0.00 O ATOM 562 CB MET A 37 5.038 1.575 19.634 1.00 0.00 C ATOM 563 CG MET A 37 4.596 0.156 20.012 1.00 0.00 C ATOM 564 SD MET A 37 5.573 -1.188 19.271 1.00 0.00 S ATOM 565 CE MET A 37 5.681 -0.634 17.547 1.00 0.00 C ATOM 0 H MET A 37 2.823 2.344 20.578 1.00 0.00 H new ATOM 0 HA MET A 37 5.461 2.262 21.650 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.446 1.915 18.784 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.077 1.546 19.307 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.638 0.057 21.097 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.554 0.028 19.720 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.941 -1.479 16.909 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.720 -0.226 17.235 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.447 0.136 17.460 1.00 0.00 H new ATOM 575 N GLY A 38 4.732 5.006 20.192 1.00 0.00 N ATOM 576 CA GLY A 38 5.182 6.366 19.857 1.00 0.00 C ATOM 577 C GLY A 38 4.610 6.954 18.557 1.00 0.00 C ATOM 578 O GLY A 38 4.889 8.116 18.249 1.00 0.00 O ATOM 0 H GLY A 38 3.722 4.948 20.319 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.919 7.029 20.681 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.270 6.362 19.785 1.00 0.00 H new ATOM 582 N PHE A 39 3.819 6.192 17.792 1.00 0.00 N ATOM 583 CA PHE A 39 3.069 6.702 16.632 1.00 0.00 C ATOM 584 C PHE A 39 1.938 7.674 17.050 1.00 0.00 C ATOM 585 O PHE A 39 1.563 7.751 18.222 1.00 0.00 O ATOM 586 CB PHE A 39 2.498 5.515 15.842 1.00 0.00 C ATOM 587 CG PHE A 39 3.512 4.598 15.178 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.207 5.028 14.032 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.721 3.292 15.663 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.106 4.160 13.384 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.615 2.424 15.014 1.00 0.00 C ATOM 592 CZ PHE A 39 5.307 2.858 13.873 1.00 0.00 C ATOM 0 H PHE A 39 3.679 5.196 17.960 1.00 0.00 H new ATOM 0 HA PHE A 39 3.754 7.271 16.004 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.887 4.917 16.518 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.833 5.905 15.071 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.050 6.026 13.649 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.190 2.955 16.541 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.643 4.496 12.509 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.769 1.424 15.393 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.993 2.192 13.371 1.00 0.00 H new ATOM 602 N SER A 40 1.356 8.399 16.088 1.00 0.00 N ATOM 603 CA SER A 40 0.261 9.364 16.308 1.00 0.00 C ATOM 604 C SER A 40 -1.105 8.784 15.922 1.00 0.00 C ATOM 605 O SER A 40 -1.218 8.097 14.906 1.00 0.00 O ATOM 606 CB SER A 40 0.508 10.633 15.477 1.00 0.00 C ATOM 607 OG SER A 40 1.758 11.231 15.796 1.00 0.00 O ATOM 0 H SER A 40 1.637 8.333 15.110 1.00 0.00 H new ATOM 0 HA SER A 40 0.248 9.597 17.373 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.483 10.385 14.416 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.295 11.348 15.656 1.00 0.00 H new ATOM 0 HG SER A 40 1.885 12.034 15.249 1.00 0.00 H new ATOM 613 N PHE A 41 -2.168 9.118 16.668 1.00 0.00 N ATOM 614 CA PHE A 41 -3.552 8.670 16.404 1.00 0.00 C ATOM 615 C PHE A 41 -3.993 8.902 14.952 1.00 0.00 C ATOM 616 O PHE A 41 -4.523 7.990 14.311 1.00 0.00 O ATOM 617 CB PHE A 41 -4.535 9.346 17.381 1.00 0.00 C ATOM 618 CG PHE A 41 -4.901 8.508 18.593 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.833 7.459 18.457 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.334 8.777 19.854 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.185 6.679 19.572 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.687 7.992 20.968 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.611 6.942 20.827 1.00 0.00 C ATOM 0 H PHE A 41 -2.093 9.719 17.489 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.566 7.592 16.565 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.098 10.284 17.723 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.448 9.597 16.841 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.277 7.254 17.494 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.628 9.586 19.966 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.898 5.876 19.464 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.247 8.197 21.933 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.879 6.339 21.682 1.00 0.00 H new ATOM 633 N LYS A 42 -3.732 10.107 14.426 1.00 0.00 N ATOM 634 CA LYS A 42 -4.038 10.518 13.046 1.00 0.00 C ATOM 635 C LYS A 42 -3.412 9.613 11.979 1.00 0.00 C ATOM 636 O LYS A 42 -4.035 9.391 10.945 1.00 0.00 O ATOM 637 CB LYS A 42 -3.689 12.009 12.848 1.00 0.00 C ATOM 638 CG LYS A 42 -2.185 12.354 12.906 1.00 0.00 C ATOM 639 CD LYS A 42 -1.496 12.424 11.529 1.00 0.00 C ATOM 640 CE LYS A 42 -1.869 13.669 10.706 1.00 0.00 C ATOM 641 NZ LYS A 42 -1.258 14.912 11.253 1.00 0.00 N ATOM 0 H LYS A 42 -3.287 10.848 14.967 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.111 10.396 12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.081 12.331 11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.207 12.590 13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.064 13.313 13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.676 11.608 13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.416 12.407 11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.756 11.532 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.544 13.531 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.953 13.778 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.538 15.724 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.587 15.060 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.222 14.821 11.247 1.00 0.00 H new ATOM 655 N ASP A 43 -2.220 9.062 12.224 1.00 0.00 N ATOM 656 CA ASP A 43 -1.561 8.121 11.310 1.00 0.00 C ATOM 657 C ASP A 43 -2.180 6.718 11.372 1.00 0.00 C ATOM 658 O ASP A 43 -2.318 6.076 10.330 1.00 0.00 O ATOM 659 CB ASP A 43 -0.054 8.036 11.594 1.00 0.00 C ATOM 660 CG ASP A 43 0.701 9.303 11.166 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.580 9.715 9.986 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.440 9.880 11.998 1.00 0.00 O ATOM 0 H ASP A 43 -1.680 9.257 13.067 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.714 8.511 10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.102 7.867 12.659 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.362 7.175 11.071 1.00 0.00 H new ATOM 667 N ILE A 44 -2.589 6.237 12.553 1.00 0.00 N ATOM 668 CA ILE A 44 -3.182 4.894 12.671 1.00 0.00 C ATOM 669 C ILE A 44 -4.563 4.840 12.008 1.00 0.00 C ATOM 670 O ILE A 44 -4.824 3.950 11.195 1.00 0.00 O ATOM 671 CB ILE A 44 -3.274 4.365 14.117 1.00 0.00 C ATOM 672 CG1 ILE A 44 -2.128 4.756 15.067 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.378 2.831 14.045 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.710 4.486 14.568 1.00 0.00 C ATOM 0 H ILE A 44 -2.522 6.749 13.433 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.492 4.234 12.146 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.152 4.841 14.554 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.216 5.820 15.288 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.267 4.222 16.007 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.445 2.423 15.054 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.268 2.553 13.481 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.494 2.429 13.549 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.008 4.803 15.324 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.588 3.420 14.377 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.536 5.042 13.647 1.00 0.00 H new ATOM 686 N LYS A 45 -5.446 5.808 12.302 1.00 0.00 N ATOM 687 CA LYS A 45 -6.765 5.895 11.646 1.00 0.00 C ATOM 688 C LYS A 45 -6.637 6.026 10.122 1.00 0.00 C ATOM 689 O LYS A 45 -7.348 5.332 9.397 1.00 0.00 O ATOM 690 CB LYS A 45 -7.663 6.961 12.311 1.00 0.00 C ATOM 691 CG LYS A 45 -7.198 8.429 12.232 1.00 0.00 C ATOM 692 CD LYS A 45 -7.625 9.222 10.985 1.00 0.00 C ATOM 693 CE LYS A 45 -9.139 9.442 10.922 1.00 0.00 C ATOM 694 NZ LYS A 45 -9.570 9.913 9.584 1.00 0.00 N ATOM 0 H LYS A 45 -5.273 6.542 12.989 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.287 4.951 11.801 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.653 6.896 11.860 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.774 6.699 13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.571 8.952 13.112 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.110 8.445 12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.120 10.188 10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.301 8.690 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.652 8.511 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.432 10.172 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.587 10.132 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.037 10.769 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.390 9.170 8.880 1.00 0.00 H new ATOM 708 N LYS A 46 -5.672 6.829 9.645 1.00 0.00 N ATOM 709 CA LYS A 46 -5.327 7.018 8.224 1.00 0.00 C ATOM 710 C LYS A 46 -4.880 5.710 7.577 1.00 0.00 C ATOM 711 O LYS A 46 -5.417 5.336 6.537 1.00 0.00 O ATOM 712 CB LYS A 46 -4.258 8.118 8.107 1.00 0.00 C ATOM 713 CG LYS A 46 -3.633 8.337 6.718 1.00 0.00 C ATOM 714 CD LYS A 46 -4.575 8.886 5.635 1.00 0.00 C ATOM 715 CE LYS A 46 -5.061 7.801 4.664 1.00 0.00 C ATOM 716 NZ LYS A 46 -5.512 8.397 3.378 1.00 0.00 N ATOM 0 H LYS A 46 -5.085 7.388 10.264 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.215 7.336 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.703 9.059 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.455 7.887 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.793 9.024 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.226 7.387 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.437 9.353 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.060 9.666 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.257 7.090 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.881 7.243 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.835 7.642 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.295 9.058 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.722 8.909 2.936 1.00 0.00 H new ATOM 730 N ILE A 47 -3.901 5.015 8.158 1.00 0.00 N ATOM 731 CA ILE A 47 -3.391 3.785 7.548 1.00 0.00 C ATOM 732 C ILE A 47 -4.429 2.660 7.556 1.00 0.00 C ATOM 733 O ILE A 47 -4.508 1.924 6.577 1.00 0.00 O ATOM 734 CB ILE A 47 -2.023 3.364 8.129 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.256 2.593 7.038 1.00 0.00 C ATOM 736 CG2 ILE A 47 -2.135 2.556 9.433 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.202 2.313 7.402 1.00 0.00 C ATOM 0 H ILE A 47 -3.451 5.276 9.035 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.206 4.006 6.497 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.474 4.262 8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.763 1.647 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.288 3.164 6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.137 2.294 9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.641 3.155 10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.706 1.646 9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.682 1.767 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.724 3.256 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.241 1.716 8.313 1.00 0.00 H new ATOM 749 N MET A 48 -5.273 2.548 8.589 1.00 0.00 N ATOM 750 CA MET A 48 -6.366 1.568 8.602 1.00 0.00 C ATOM 751 C MET A 48 -7.459 1.880 7.573 1.00 0.00 C ATOM 752 O MET A 48 -7.816 0.990 6.802 1.00 0.00 O ATOM 753 CB MET A 48 -6.962 1.395 10.002 1.00 0.00 C ATOM 754 CG MET A 48 -5.987 0.639 10.903 1.00 0.00 C ATOM 755 SD MET A 48 -6.720 -0.048 12.408 1.00 0.00 S ATOM 756 CE MET A 48 -5.491 -1.336 12.734 1.00 0.00 C ATOM 0 H MET A 48 -5.220 3.125 9.428 1.00 0.00 H new ATOM 0 HA MET A 48 -5.918 0.619 8.309 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.184 2.371 10.433 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.905 0.852 9.939 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.540 -0.173 10.330 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.178 1.313 11.185 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.399 -1.488 13.810 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.805 -2.267 12.262 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.527 -1.030 12.327 1.00 0.00 H new ATOM 766 N GLU A 49 -7.980 3.113 7.511 1.00 0.00 N ATOM 767 CA GLU A 49 -8.990 3.461 6.496 1.00 0.00 C ATOM 768 C GLU A 49 -8.451 3.285 5.064 1.00 0.00 C ATOM 769 O GLU A 49 -9.174 2.794 4.196 1.00 0.00 O ATOM 770 CB GLU A 49 -9.609 4.854 6.734 1.00 0.00 C ATOM 771 CG GLU A 49 -8.706 6.041 6.371 1.00 0.00 C ATOM 772 CD GLU A 49 -9.361 7.393 6.698 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.349 7.782 6.028 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.869 8.101 7.610 1.00 0.00 O ATOM 0 H GLU A 49 -7.726 3.876 8.139 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.808 2.749 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.530 4.928 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.885 4.936 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.763 5.956 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.469 6.002 5.308 1.00 0.00 H new ATOM 781 N GLU A 50 -7.171 3.594 4.820 1.00 0.00 N ATOM 782 CA GLU A 50 -6.487 3.321 3.549 1.00 0.00 C ATOM 783 C GLU A 50 -6.356 1.810 3.278 1.00 0.00 C ATOM 784 O GLU A 50 -6.813 1.336 2.238 1.00 0.00 O ATOM 785 CB GLU A 50 -5.120 4.028 3.536 1.00 0.00 C ATOM 786 CG GLU A 50 -4.459 4.034 2.148 1.00 0.00 C ATOM 787 CD GLU A 50 -3.119 3.277 2.139 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.123 2.028 2.010 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.051 3.925 2.259 1.00 0.00 O ATOM 0 H GLU A 50 -6.572 4.047 5.510 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.093 3.721 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.246 5.056 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.456 3.536 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.135 3.581 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.295 5.064 1.830 1.00 0.00 H new ATOM 796 N LYS A 51 -5.791 1.036 4.217 1.00 0.00 N ATOM 797 CA LYS A 51 -5.588 -0.420 4.114 1.00 0.00 C ATOM 798 C LYS A 51 -6.871 -1.152 3.733 1.00 0.00 C ATOM 799 O LYS A 51 -6.868 -1.913 2.769 1.00 0.00 O ATOM 800 CB LYS A 51 -5.010 -0.964 5.435 1.00 0.00 C ATOM 801 CG LYS A 51 -4.725 -2.476 5.440 1.00 0.00 C ATOM 802 CD LYS A 51 -3.579 -2.864 4.496 1.00 0.00 C ATOM 803 CE LYS A 51 -3.122 -4.296 4.791 1.00 0.00 C ATOM 804 NZ LYS A 51 -1.888 -4.636 4.037 1.00 0.00 N ATOM 0 H LYS A 51 -5.451 1.418 5.099 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.873 -0.604 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.084 -0.433 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.708 -0.737 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.479 -2.792 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.628 -3.013 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.907 -2.784 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.745 -2.174 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.940 -4.409 5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.916 -4.995 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.604 -5.612 4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.070 -4.551 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.125 -3.983 4.308 1.00 0.00 H new ATOM 818 N ILE A 52 -7.964 -0.907 4.459 1.00 0.00 N ATOM 819 CA ILE A 52 -9.272 -1.523 4.195 1.00 0.00 C ATOM 820 C ILE A 52 -9.780 -1.130 2.798 1.00 0.00 C ATOM 821 O ILE A 52 -10.182 -1.999 2.026 1.00 0.00 O ATOM 822 CB ILE A 52 -10.290 -1.159 5.302 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.810 -1.593 6.708 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.646 -1.832 5.018 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.531 -0.846 7.839 1.00 0.00 C ATOM 0 H ILE A 52 -7.969 -0.269 5.255 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.155 -2.607 4.211 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.390 -0.074 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.970 -2.665 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.737 -1.420 6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.354 -1.569 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.027 -1.490 4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.517 -2.914 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.154 -1.191 8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.350 0.224 7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.602 -1.040 7.778 1.00 0.00 H new ATOM 837 N GLN A 53 -9.743 0.161 2.449 1.00 0.00 N ATOM 838 CA GLN A 53 -10.244 0.683 1.170 1.00 0.00 C ATOM 839 C GLN A 53 -9.454 0.178 -0.059 1.00 0.00 C ATOM 840 O GLN A 53 -10.051 -0.071 -1.109 1.00 0.00 O ATOM 841 CB GLN A 53 -10.277 2.218 1.263 1.00 0.00 C ATOM 842 CG GLN A 53 -11.053 2.898 0.128 1.00 0.00 C ATOM 843 CD GLN A 53 -11.281 4.383 0.420 1.00 0.00 C ATOM 844 OE1 GLN A 53 -10.627 5.266 -0.120 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.216 4.724 1.288 1.00 0.00 N ATOM 0 H GLN A 53 -9.358 0.885 3.056 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.251 0.300 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.723 2.504 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.254 2.593 1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.503 2.790 -0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.013 2.400 -0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.772 4.003 1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.383 5.708 1.498 1.00 0.00 H new ATOM 854 N ILE A 54 -8.134 -0.013 0.064 1.00 0.00 N ATOM 855 CA ILE A 54 -7.252 -0.579 -0.973 1.00 0.00 C ATOM 856 C ILE A 54 -7.333 -2.117 -1.014 1.00 0.00 C ATOM 857 O ILE A 54 -7.683 -2.694 -2.045 1.00 0.00 O ATOM 858 CB ILE A 54 -5.795 -0.090 -0.762 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.646 1.442 -0.919 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.802 -0.801 -1.704 1.00 0.00 C ATOM 861 CD1 ILE A 54 -5.961 2.009 -2.308 1.00 0.00 C ATOM 0 H ILE A 54 -7.630 0.230 0.917 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.596 -0.222 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.553 -0.350 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.299 1.927 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.623 1.716 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.795 -0.427 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.830 -1.875 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.079 -0.605 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.823 3.090 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.291 1.563 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.993 1.777 -2.570 1.00 0.00 H new ATOM 873 N SER A 55 -6.969 -2.790 0.083 1.00 0.00 N ATOM 874 CA SER A 55 -6.742 -4.245 0.151 1.00 0.00 C ATOM 875 C SER A 55 -8.027 -5.072 0.323 1.00 0.00 C ATOM 876 O SER A 55 -8.081 -6.236 -0.087 1.00 0.00 O ATOM 877 CB SER A 55 -5.782 -4.533 1.315 1.00 0.00 C ATOM 878 OG SER A 55 -5.234 -5.841 1.245 1.00 0.00 O ATOM 0 H SER A 55 -6.818 -2.326 0.979 1.00 0.00 H new ATOM 0 HA SER A 55 -6.318 -4.549 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.974 -3.801 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.312 -4.413 2.260 1.00 0.00 H new ATOM 0 HG SER A 55 -4.628 -5.983 2.002 1.00 0.00 H new ATOM 884 N GLY A 56 -9.079 -4.484 0.907 1.00 0.00 N ATOM 885 CA GLY A 56 -10.383 -5.112 1.162 1.00 0.00 C ATOM 886 C GLY A 56 -10.575 -5.675 2.581 1.00 0.00 C ATOM 887 O GLY A 56 -11.684 -6.092 2.922 1.00 0.00 O ATOM 0 H GLY A 56 -9.044 -3.517 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.165 -4.377 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.524 -5.921 0.446 1.00 0.00 H new ATOM 891 N SER A 57 -9.533 -5.680 3.419 1.00 0.00 N ATOM 892 CA SER A 57 -9.559 -6.127 4.826 1.00 0.00 C ATOM 893 C SER A 57 -8.638 -5.282 5.722 1.00 0.00 C ATOM 894 O SER A 57 -7.756 -4.574 5.230 1.00 0.00 O ATOM 895 CB SER A 57 -9.183 -7.616 4.910 1.00 0.00 C ATOM 896 OG SER A 57 -7.881 -7.858 4.398 1.00 0.00 O ATOM 0 H SER A 57 -8.609 -5.361 3.129 1.00 0.00 H new ATOM 0 HA SER A 57 -10.574 -5.990 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.233 -7.946 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.909 -8.207 4.352 1.00 0.00 H new ATOM 0 HG SER A 57 -7.674 -8.813 4.468 1.00 0.00 H new ATOM 902 N ASN A 58 -8.841 -5.337 7.047 1.00 0.00 N ATOM 903 CA ASN A 58 -7.987 -4.659 8.034 1.00 0.00 C ATOM 904 C ASN A 58 -6.794 -5.543 8.469 1.00 0.00 C ATOM 905 O ASN A 58 -6.747 -6.741 8.173 1.00 0.00 O ATOM 906 CB ASN A 58 -8.857 -4.211 9.234 1.00 0.00 C ATOM 907 CG ASN A 58 -8.281 -3.025 10.003 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.190 -2.540 9.750 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.004 -2.494 10.960 1.00 0.00 N ATOM 0 H ASN A 58 -9.610 -5.859 7.468 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.545 -3.774 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.851 -3.949 8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.977 -5.052 9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.652 -1.689 11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.918 -2.886 11.186 1.00 0.00 H new ATOM 916 N TYR A 59 -5.841 -4.964 9.202 1.00 0.00 N ATOM 917 CA TYR A 59 -4.679 -5.648 9.780 1.00 0.00 C ATOM 918 C TYR A 59 -5.069 -6.753 10.781 1.00 0.00 C ATOM 919 O TYR A 59 -6.096 -6.658 11.460 1.00 0.00 O ATOM 920 CB TYR A 59 -3.776 -4.606 10.456 1.00 0.00 C ATOM 921 CG TYR A 59 -3.152 -3.623 9.488 1.00 0.00 C ATOM 922 CD1 TYR A 59 -2.037 -4.025 8.734 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.680 -2.328 9.328 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.446 -3.136 7.821 1.00 0.00 C ATOM 925 CE2 TYR A 59 -3.088 -1.431 8.416 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.972 -1.838 7.654 1.00 0.00 C ATOM 927 OH TYR A 59 -1.430 -1.004 6.732 1.00 0.00 O ATOM 0 H TYR A 59 -5.857 -3.967 9.418 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.147 -6.146 8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.360 -4.055 11.193 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.983 -5.122 10.998 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.633 -5.019 8.856 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.540 -2.021 9.905 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.587 -3.447 7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.488 -0.434 8.301 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.771 -1.493 6.196 1.00 0.00 H new ATOM 937 N LYS A 60 -4.220 -7.788 10.894 1.00 0.00 N ATOM 938 CA LYS A 60 -4.462 -9.009 11.697 1.00 0.00 C ATOM 939 C LYS A 60 -3.403 -9.296 12.775 1.00 0.00 C ATOM 940 O LYS A 60 -3.689 -10.034 13.719 1.00 0.00 O ATOM 941 CB LYS A 60 -4.621 -10.218 10.751 1.00 0.00 C ATOM 942 CG LYS A 60 -5.757 -10.094 9.718 1.00 0.00 C ATOM 943 CD LYS A 60 -7.153 -10.042 10.355 1.00 0.00 C ATOM 944 CE LYS A 60 -8.225 -9.881 9.270 1.00 0.00 C ATOM 945 NZ LYS A 60 -9.593 -9.921 9.851 1.00 0.00 N ATOM 0 H LYS A 60 -3.319 -7.803 10.417 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.381 -8.830 12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.682 -10.369 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.794 -11.110 11.353 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.602 -9.193 9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.709 -10.940 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.335 -10.954 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.209 -9.211 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.077 -8.936 8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.119 -10.674 8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.296 -9.810 9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.741 -10.833 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.701 -9.148 10.539 1.00 0.00 H new ATOM 959 N SER A 61 -2.221 -8.679 12.672 1.00 0.00 N ATOM 960 CA SER A 61 -1.134 -8.711 13.666 1.00 0.00 C ATOM 961 C SER A 61 -0.431 -7.354 13.737 1.00 0.00 C ATOM 962 O SER A 61 -0.341 -6.647 12.727 1.00 0.00 O ATOM 963 CB SER A 61 -0.094 -9.782 13.304 1.00 0.00 C ATOM 964 OG SER A 61 -0.634 -11.086 13.433 1.00 0.00 O ATOM 0 H SER A 61 -1.981 -8.116 11.856 1.00 0.00 H new ATOM 0 HA SER A 61 -1.580 -8.947 14.632 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.250 -9.628 12.281 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.777 -9.681 13.952 1.00 0.00 H new ATOM 0 HG SER A 61 0.049 -11.748 13.195 1.00 0.00 H new ATOM 970 N LEU A 62 0.109 -7.001 14.911 1.00 0.00 N ATOM 971 CA LEU A 62 0.829 -5.737 15.122 1.00 0.00 C ATOM 972 C LEU A 62 2.030 -5.610 14.180 1.00 0.00 C ATOM 973 O LEU A 62 2.252 -4.535 13.638 1.00 0.00 O ATOM 974 CB LEU A 62 1.286 -5.583 16.591 1.00 0.00 C ATOM 975 CG LEU A 62 0.238 -5.120 17.624 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.366 -3.760 17.267 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.894 -6.127 17.825 1.00 0.00 C ATOM 0 H LEU A 62 0.059 -7.586 15.745 1.00 0.00 H new ATOM 0 HA LEU A 62 0.129 -4.933 14.895 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.681 -6.544 16.922 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.114 -4.874 16.612 1.00 0.00 H new ATOM 0 HG LEU A 62 0.791 -5.035 18.559 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.098 -3.477 18.024 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.424 -3.010 17.228 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.855 -3.823 16.295 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.597 -5.742 18.563 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.412 -6.286 16.879 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.481 -7.073 18.176 1.00 0.00 H new ATOM 989 N GLU A 63 2.754 -6.705 13.929 1.00 0.00 N ATOM 990 CA GLU A 63 3.904 -6.764 13.011 1.00 0.00 C ATOM 991 C GLU A 63 3.596 -6.156 11.631 1.00 0.00 C ATOM 992 O GLU A 63 4.359 -5.327 11.134 1.00 0.00 O ATOM 993 CB GLU A 63 4.372 -8.220 12.844 1.00 0.00 C ATOM 994 CG GLU A 63 4.943 -8.815 14.139 1.00 0.00 C ATOM 995 CD GLU A 63 5.427 -10.261 13.912 1.00 0.00 C ATOM 996 OE1 GLU A 63 6.590 -10.459 13.482 1.00 0.00 O ATOM 997 OE2 GLU A 63 4.649 -11.213 14.165 1.00 0.00 O ATOM 0 H GLU A 63 2.553 -7.603 14.370 1.00 0.00 H new ATOM 0 HA GLU A 63 4.697 -6.165 13.458 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.533 -8.830 12.509 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.131 -8.265 12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.771 -8.201 14.492 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.181 -8.800 14.918 1.00 0.00 H new ATOM 1004 N VAL A 64 2.464 -6.535 11.027 1.00 0.00 N ATOM 1005 CA VAL A 64 2.015 -6.024 9.718 1.00 0.00 C ATOM 1006 C VAL A 64 1.648 -4.538 9.808 1.00 0.00 C ATOM 1007 O VAL A 64 2.060 -3.745 8.958 1.00 0.00 O ATOM 1008 CB VAL A 64 0.824 -6.837 9.163 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.597 -6.527 7.678 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.028 -8.354 9.272 1.00 0.00 C ATOM 0 H VAL A 64 1.822 -7.214 11.436 1.00 0.00 H new ATOM 0 HA VAL A 64 2.849 -6.138 9.025 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.031 -6.542 9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.246 -7.111 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.384 -5.465 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.492 -6.785 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.157 -8.868 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.916 -8.643 8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.156 -8.630 10.319 1.00 0.00 H new ATOM 1020 N LEU A 65 0.910 -4.149 10.857 1.00 0.00 N ATOM 1021 CA LEU A 65 0.488 -2.769 11.116 1.00 0.00 C ATOM 1022 C LEU A 65 1.706 -1.827 11.232 1.00 0.00 C ATOM 1023 O LEU A 65 1.799 -0.836 10.510 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.394 -2.722 12.389 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.582 -1.732 12.386 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.936 -1.369 13.831 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.360 -0.425 11.629 1.00 0.00 C ATOM 0 H LEU A 65 0.582 -4.804 11.567 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.106 -2.417 10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.788 -3.723 12.565 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.247 -2.479 13.236 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.378 -2.260 11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.773 -0.671 13.836 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.213 -2.272 14.376 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.074 -0.906 14.311 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.257 0.190 11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.519 0.112 12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.144 -0.643 10.583 1.00 0.00 H new ATOM 1039 N VAL A 66 2.651 -2.139 12.129 1.00 0.00 N ATOM 1040 CA VAL A 66 3.828 -1.300 12.424 1.00 0.00 C ATOM 1041 C VAL A 66 4.835 -1.259 11.272 1.00 0.00 C ATOM 1042 O VAL A 66 5.421 -0.205 11.025 1.00 0.00 O ATOM 1043 CB VAL A 66 4.510 -1.659 13.762 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.491 -1.631 14.913 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.259 -2.996 13.752 1.00 0.00 C ATOM 0 H VAL A 66 2.622 -2.996 12.681 1.00 0.00 H new ATOM 0 HA VAL A 66 3.434 -0.290 12.536 1.00 0.00 H new ATOM 0 HB VAL A 66 5.269 -0.892 13.915 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.991 -1.887 15.847 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.060 -0.633 14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.699 -2.353 14.716 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.707 -3.169 14.730 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.561 -3.802 13.525 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.042 -2.969 12.994 1.00 0.00 H new ATOM 1055 N ALA A 67 4.997 -2.357 10.522 1.00 0.00 N ATOM 1056 CA ALA A 67 5.800 -2.388 9.298 1.00 0.00 C ATOM 1057 C ALA A 67 5.233 -1.440 8.224 1.00 0.00 C ATOM 1058 O ALA A 67 5.967 -0.621 7.667 1.00 0.00 O ATOM 1059 CB ALA A 67 5.892 -3.829 8.784 1.00 0.00 C ATOM 0 H ALA A 67 4.570 -3.254 10.752 1.00 0.00 H new ATOM 0 HA ALA A 67 6.804 -2.032 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.490 -3.853 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.361 -4.456 9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.891 -4.204 8.571 1.00 0.00 H new ATOM 1065 N ASP A 68 3.926 -1.512 7.955 1.00 0.00 N ATOM 1066 CA ASP A 68 3.260 -0.594 7.026 1.00 0.00 C ATOM 1067 C ASP A 68 3.292 0.863 7.531 1.00 0.00 C ATOM 1068 O ASP A 68 3.542 1.763 6.730 1.00 0.00 O ATOM 1069 CB ASP A 68 1.822 -1.058 6.736 1.00 0.00 C ATOM 1070 CG ASP A 68 1.695 -2.200 5.704 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.709 -2.820 5.300 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.548 -2.454 5.257 1.00 0.00 O ATOM 0 H ASP A 68 3.303 -2.204 8.372 1.00 0.00 H new ATOM 0 HA ASP A 68 3.817 -0.614 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.367 -1.383 7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.246 -0.203 6.381 1.00 0.00 H new ATOM 1077 N LEU A 69 3.115 1.115 8.839 1.00 0.00 N ATOM 1078 CA LEU A 69 3.244 2.447 9.454 1.00 0.00 C ATOM 1079 C LEU A 69 4.615 3.080 9.186 1.00 0.00 C ATOM 1080 O LEU A 69 4.666 4.190 8.649 1.00 0.00 O ATOM 1081 CB LEU A 69 2.970 2.393 10.968 1.00 0.00 C ATOM 1082 CG LEU A 69 1.484 2.381 11.361 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.333 1.943 12.816 1.00 0.00 C ATOM 1084 CD2 LEU A 69 0.853 3.773 11.239 1.00 0.00 C ATOM 0 H LEU A 69 2.874 0.386 9.510 1.00 0.00 H new ATOM 0 HA LEU A 69 2.490 3.079 8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.445 1.501 11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.448 3.252 11.439 1.00 0.00 H new ATOM 0 HG LEU A 69 0.983 1.690 10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.277 1.937 13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.745 0.941 12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.869 2.638 13.463 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.197 3.723 11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.375 4.468 11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.932 4.119 10.208 1.00 0.00 H new ATOM 1096 N VAL A 70 5.723 2.403 9.531 1.00 0.00 N ATOM 1097 CA VAL A 70 7.067 2.942 9.240 1.00 0.00 C ATOM 1098 C VAL A 70 7.275 3.143 7.738 1.00 0.00 C ATOM 1099 O VAL A 70 7.729 4.209 7.332 1.00 0.00 O ATOM 1100 CB VAL A 70 8.245 2.175 9.880 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.124 2.165 11.406 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.439 0.734 9.400 1.00 0.00 C ATOM 0 H VAL A 70 5.720 1.499 10.003 1.00 0.00 H new ATOM 0 HA VAL A 70 7.082 3.914 9.733 1.00 0.00 H new ATOM 0 HB VAL A 70 9.124 2.729 9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.965 1.619 11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.129 3.189 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.192 1.679 11.694 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.292 0.291 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.543 0.154 9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.620 0.730 8.325 1.00 0.00 H new ATOM 1112 N ASN A 71 6.885 2.181 6.895 1.00 0.00 N ATOM 1113 CA ASN A 71 7.031 2.283 5.439 1.00 0.00 C ATOM 1114 C ASN A 71 6.247 3.468 4.833 1.00 0.00 C ATOM 1115 O ASN A 71 6.740 4.127 3.916 1.00 0.00 O ATOM 1116 CB ASN A 71 6.620 0.943 4.809 1.00 0.00 C ATOM 1117 CG ASN A 71 6.982 0.882 3.335 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.145 0.802 2.961 1.00 0.00 O ATOM 1119 ND2 ASN A 71 6.015 0.922 2.446 1.00 0.00 N ATOM 0 H ASN A 71 6.458 1.308 7.204 1.00 0.00 H new ATOM 0 HA ASN A 71 8.076 2.491 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.110 0.126 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.546 0.800 4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.235 0.886 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.044 0.989 2.751 1.00 0.00 H new ATOM 1126 N ALA A 72 5.048 3.760 5.348 1.00 0.00 N ATOM 1127 CA ALA A 72 4.205 4.876 4.919 1.00 0.00 C ATOM 1128 C ALA A 72 4.763 6.254 5.334 1.00 0.00 C ATOM 1129 O ALA A 72 4.741 7.186 4.526 1.00 0.00 O ATOM 1130 CB ALA A 72 2.789 4.665 5.472 1.00 0.00 C ATOM 0 H ALA A 72 4.627 3.209 6.096 1.00 0.00 H new ATOM 0 HA ALA A 72 4.187 4.885 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.150 5.491 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.385 3.728 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.826 4.627 6.561 1.00 0.00 H new ATOM 1136 N GLN A 73 5.255 6.404 6.574 1.00 0.00 N ATOM 1137 CA GLN A 73 5.814 7.677 7.065 1.00 0.00 C ATOM 1138 C GLN A 73 7.251 7.959 6.572 1.00 0.00 C ATOM 1139 O GLN A 73 7.654 9.123 6.492 1.00 0.00 O ATOM 1140 CB GLN A 73 5.699 7.765 8.598 1.00 0.00 C ATOM 1141 CG GLN A 73 6.727 6.908 9.353 1.00 0.00 C ATOM 1142 CD GLN A 73 6.533 6.887 10.870 1.00 0.00 C ATOM 1143 OE1 GLN A 73 5.510 7.268 11.424 1.00 0.00 O ATOM 1144 NE2 GLN A 73 7.524 6.437 11.613 1.00 0.00 N ATOM 0 H GLN A 73 5.277 5.652 7.262 1.00 0.00 H new ATOM 0 HA GLN A 73 5.208 8.471 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.816 8.805 8.902 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.697 7.457 8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.677 5.886 8.977 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.727 7.281 9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.386 6.114 11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.429 6.411 12.628 1.00 0.00 H new