USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 CYS SG : rot 180:sc= -0.251 USER MOD Set 1.2: B 46 ASN : amide:sc= 0 X(o=-0.39,f=-0.097) USER MOD Set 1.3: B 49 CYS SG : rot -108:sc= 1.26 USER MOD Set 1.4: B 54 CYS SG : rot -150:sc= 0.074 USER MOD Set 1.5: B 57 CYS SG : rot -75:sc= -1.48 USER MOD Single : A 329 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 330 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 336 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 341 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.4!) USER MOD Single : A 348 ASN : amide:sc= -0.0654 K(o=-0.065,f=-1.9!) USER MOD Single : A 349 ASN : amide:sc= -2.84! C(o=-2.8!,f=-5!) USER MOD Single : A 354 ASN : amide:sc= -1.67! C(o=-1.7!,f=-3.8!) USER MOD Single : A 356 MET CE :methyl -160:sc= 0 (180deg=-0.123) USER MOD Single : A 358 SER OG : rot -32:sc= 1.07 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 168:sc= -1.78 (180deg=-2.03) USER MOD Single : B 31 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.013) USER MOD Single : B 36 TYR OH : rot -175:sc= 0.755 USER MOD Single : B 37 TYR OH : rot 127:sc= -0.159 USER MOD Single : B 38 HIS :FLIP no HD1:sc= -0.0012 F(o=-0.97,f=-0.0012) USER MOD Single : B 39 GLN :FLIP amide:sc= -0.756 F(o=-2.5,f=-0.76) USER MOD Single : B 41 THR OG1 : rot -16:sc= 0.044 USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 ASN :FLIP amide:sc= -0.681 F(o=-1.2,f=-0.68) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 MET CE :methyl -134:sc= -1.46 (180deg=-4.16!) USER MOD Single : B 65 ASN : amide:sc= -2.26 K(o=-2.3,f=-8.8!) USER MOD Single : B 66 ASN : amide:sc= -1.89 K(o=-1.9,f=-6.4!) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot -15:sc= -5.33! USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.7!) USER MOD Single : B 81 LYS NZ :NH3+ 159:sc= -0.101 (180deg=-0.678) USER MOD ----------------------------------------------------------------- ATOM 299 N ASP A 327 42.476 1.674 -7.631 1.00 0.00 N ATOM 300 CA ASP A 327 43.543 2.393 -6.948 1.00 0.00 C ATOM 301 C ASP A 327 43.296 2.412 -5.442 1.00 0.00 C ATOM 302 O ASP A 327 42.368 3.064 -4.961 1.00 0.00 O ATOM 303 CB ASP A 327 43.623 3.827 -7.474 1.00 0.00 C ATOM 304 CG ASP A 327 44.210 3.840 -8.882 1.00 0.00 C ATOM 305 OD1 ASP A 327 44.724 2.815 -9.299 1.00 0.00 O ATOM 306 OD2 ASP A 327 44.140 4.876 -9.522 1.00 0.00 O ATOM 0 HA ASP A 327 44.486 1.882 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 327 42.629 4.275 -7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 327 44.240 4.432 -6.809 1.00 0.00 H new ATOM 311 N VAL A 328 44.137 1.695 -4.704 1.00 0.00 N ATOM 312 CA VAL A 328 44.015 1.631 -3.253 1.00 0.00 C ATOM 313 C VAL A 328 44.349 2.981 -2.623 1.00 0.00 C ATOM 314 O VAL A 328 43.722 3.397 -1.652 1.00 0.00 O ATOM 315 CB VAL A 328 44.942 0.553 -2.690 1.00 0.00 C ATOM 316 CG1 VAL A 328 44.898 0.597 -1.161 1.00 0.00 C ATOM 317 CG2 VAL A 328 44.481 -0.821 -3.179 1.00 0.00 C ATOM 0 H VAL A 328 44.910 1.151 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 328 42.983 1.378 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 328 45.962 0.732 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 328 45.558 -0.170 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 328 45.226 1.577 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 328 43.878 0.415 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 328 45.141 -1.590 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 328 43.462 -1.005 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 328 44.511 -0.849 -4.268 1.00 0.00 H new ATOM 327 N MET A 329 45.355 3.651 -3.175 1.00 0.00 N ATOM 328 CA MET A 329 45.783 4.947 -2.653 1.00 0.00 C ATOM 329 C MET A 329 44.679 5.986 -2.821 1.00 0.00 C ATOM 330 O MET A 329 44.755 7.080 -2.264 1.00 0.00 O ATOM 331 CB MET A 329 47.044 5.412 -3.387 1.00 0.00 C ATOM 332 CG MET A 329 48.213 4.490 -3.032 1.00 0.00 C ATOM 333 SD MET A 329 48.662 4.715 -1.292 1.00 0.00 S ATOM 334 CE MET A 329 49.896 3.394 -1.198 1.00 0.00 C ATOM 0 H MET A 329 45.888 3.321 -3.980 1.00 0.00 H new ATOM 0 HA MET A 329 46.000 4.837 -1.590 1.00 0.00 H new ATOM 0 HB2 MET A 329 46.875 5.403 -4.464 1.00 0.00 H new ATOM 0 HB3 MET A 329 47.281 6.439 -3.110 1.00 0.00 H new ATOM 0 HG2 MET A 329 47.938 3.451 -3.215 1.00 0.00 H new ATOM 0 HG3 MET A 329 49.069 4.710 -3.670 1.00 0.00 H new ATOM 0 HE1 MET A 329 50.310 3.354 -0.191 1.00 0.00 H new ATOM 0 HE2 MET A 329 49.426 2.440 -1.435 1.00 0.00 H new ATOM 0 HE3 MET A 329 50.696 3.592 -1.912 1.00 0.00 H new ATOM 344 N GLN A 330 43.655 5.636 -3.591 1.00 0.00 N ATOM 345 CA GLN A 330 42.534 6.544 -3.823 1.00 0.00 C ATOM 346 C GLN A 330 41.719 6.741 -2.545 1.00 0.00 C ATOM 347 O GLN A 330 41.207 7.831 -2.291 1.00 0.00 O ATOM 348 CB GLN A 330 41.630 5.988 -4.920 1.00 0.00 C ATOM 349 CG GLN A 330 40.540 7.011 -5.247 1.00 0.00 C ATOM 350 CD GLN A 330 39.695 6.515 -6.416 1.00 0.00 C ATOM 351 OE1 GLN A 330 39.970 5.454 -6.976 1.00 0.00 O ATOM 352 NE2 GLN A 330 38.676 7.224 -6.819 1.00 0.00 N ATOM 0 H GLN A 330 43.576 4.736 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 330 42.937 7.508 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 330 42.216 5.767 -5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 330 41.179 5.051 -4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 330 39.908 7.174 -4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 330 40.993 7.971 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 330 38.450 8.103 -6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 330 38.105 6.899 -7.600 1.00 0.00 H new ATOM 361 N ASP A 331 41.606 5.680 -1.749 1.00 0.00 N ATOM 362 CA ASP A 331 40.849 5.743 -0.499 1.00 0.00 C ATOM 363 C ASP A 331 41.787 5.513 0.689 1.00 0.00 C ATOM 364 O ASP A 331 41.760 4.446 1.306 1.00 0.00 O ATOM 365 CB ASP A 331 39.743 4.680 -0.495 1.00 0.00 C ATOM 366 CG ASP A 331 40.343 3.281 -0.550 1.00 0.00 C ATOM 367 OD1 ASP A 331 41.370 3.124 -1.181 1.00 0.00 O ATOM 368 OD2 ASP A 331 39.764 2.384 0.043 1.00 0.00 O ATOM 0 H ASP A 331 42.026 4.771 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 331 40.393 6.730 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 331 39.134 4.785 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 331 39.082 4.832 -1.348 1.00 0.00 H new ATOM 373 N PRO A 332 42.628 6.479 1.009 1.00 0.00 N ATOM 374 CA PRO A 332 43.609 6.350 2.133 1.00 0.00 C ATOM 375 C PRO A 332 42.926 6.164 3.481 1.00 0.00 C ATOM 376 O PRO A 332 43.535 5.679 4.435 1.00 0.00 O ATOM 377 CB PRO A 332 44.405 7.661 2.089 1.00 0.00 C ATOM 378 CG PRO A 332 43.549 8.624 1.343 1.00 0.00 C ATOM 379 CD PRO A 332 42.738 7.800 0.351 1.00 0.00 C ATOM 0 HA PRO A 332 44.239 5.468 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 332 44.619 8.024 3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 332 45.364 7.521 1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 332 42.894 9.168 2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 332 44.158 9.365 0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 332 41.758 8.241 0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 332 43.239 7.727 -0.614 1.00 0.00 H new ATOM 387 N GLU A 333 41.660 6.542 3.553 1.00 0.00 N ATOM 388 CA GLU A 333 40.908 6.400 4.788 1.00 0.00 C ATOM 389 C GLU A 333 40.814 4.928 5.181 1.00 0.00 C ATOM 390 O GLU A 333 40.921 4.582 6.357 1.00 0.00 O ATOM 391 CB GLU A 333 39.504 6.980 4.609 1.00 0.00 C ATOM 392 CG GLU A 333 39.594 8.500 4.456 1.00 0.00 C ATOM 393 CD GLU A 333 40.012 9.134 5.779 1.00 0.00 C ATOM 394 OE1 GLU A 333 39.894 8.468 6.794 1.00 0.00 O ATOM 395 OE2 GLU A 333 40.444 10.274 5.757 1.00 0.00 O ATOM 0 H GLU A 333 41.135 6.946 2.777 1.00 0.00 H new ATOM 0 HA GLU A 333 41.423 6.944 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 333 39.028 6.543 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 333 38.882 6.727 5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 333 40.314 8.753 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 333 38.630 8.900 4.140 1.00 0.00 H new ATOM 402 N PHE A 334 40.619 4.066 4.187 1.00 0.00 N ATOM 403 CA PHE A 334 40.518 2.633 4.442 1.00 0.00 C ATOM 404 C PHE A 334 41.831 2.099 5.012 1.00 0.00 C ATOM 405 O PHE A 334 41.840 1.328 5.973 1.00 0.00 O ATOM 406 CB PHE A 334 40.161 1.890 3.154 1.00 0.00 C ATOM 407 CG PHE A 334 39.980 0.420 3.453 1.00 0.00 C ATOM 408 CD1 PHE A 334 38.823 -0.019 4.109 1.00 0.00 C ATOM 409 CD2 PHE A 334 40.963 -0.502 3.074 1.00 0.00 C ATOM 410 CE1 PHE A 334 38.649 -1.380 4.387 1.00 0.00 C ATOM 411 CE2 PHE A 334 40.788 -1.863 3.353 1.00 0.00 C ATOM 412 CZ PHE A 334 39.632 -2.302 4.010 1.00 0.00 C ATOM 0 H PHE A 334 40.529 4.332 3.206 1.00 0.00 H new ATOM 0 HA PHE A 334 39.728 2.466 5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 334 39.246 2.300 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 334 40.948 2.027 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 334 38.065 0.693 4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 334 41.855 -0.164 2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 334 37.756 -1.718 4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 334 41.546 -2.575 3.061 1.00 0.00 H new ATOM 0 HZ PHE A 334 39.499 -3.352 4.226 1.00 0.00 H new ATOM 422 N LEU A 335 42.937 2.517 4.405 1.00 0.00 N ATOM 423 CA LEU A 335 44.259 2.084 4.846 1.00 0.00 C ATOM 424 C LEU A 335 44.523 2.540 6.276 1.00 0.00 C ATOM 425 O LEU A 335 45.114 1.811 7.073 1.00 0.00 O ATOM 426 CB LEU A 335 45.328 2.664 3.917 1.00 0.00 C ATOM 427 CG LEU A 335 45.241 1.989 2.541 1.00 0.00 C ATOM 428 CD1 LEU A 335 46.156 2.718 1.557 1.00 0.00 C ATOM 429 CD2 LEU A 335 45.669 0.518 2.634 1.00 0.00 C ATOM 0 H LEU A 335 42.945 3.154 3.608 1.00 0.00 H new ATOM 0 HA LEU A 335 44.297 0.995 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 335 45.189 3.740 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 335 46.318 2.510 4.346 1.00 0.00 H new ATOM 0 HG LEU A 335 44.208 2.035 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 335 46.095 2.239 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 335 45.843 3.759 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 335 47.184 2.677 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 335 45.601 0.056 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 335 46.697 0.460 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 335 45.014 -0.008 3.328 1.00 0.00 H new ATOM 441 N GLN A 336 44.086 3.753 6.595 1.00 0.00 N ATOM 442 CA GLN A 336 44.287 4.293 7.932 1.00 0.00 C ATOM 443 C GLN A 336 43.600 3.408 8.966 1.00 0.00 C ATOM 444 O GLN A 336 44.160 3.126 10.025 1.00 0.00 O ATOM 445 CB GLN A 336 43.717 5.711 8.008 1.00 0.00 C ATOM 446 CG GLN A 336 44.016 6.312 9.383 1.00 0.00 C ATOM 447 CD GLN A 336 43.524 7.755 9.440 1.00 0.00 C ATOM 448 OE1 GLN A 336 43.065 8.295 8.433 1.00 0.00 O ATOM 449 NE2 GLN A 336 43.592 8.413 10.564 1.00 0.00 N ATOM 0 H GLN A 336 43.595 4.375 5.953 1.00 0.00 H new ATOM 0 HA GLN A 336 45.356 4.320 8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 336 44.154 6.332 7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 336 42.641 5.691 7.835 1.00 0.00 H new ATOM 0 HG2 GLN A 336 43.530 5.722 10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 336 45.088 6.276 9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 336 43.973 7.963 11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 336 43.264 9.378 10.611 1.00 0.00 H new ATOM 458 N SER A 337 42.388 2.965 8.650 1.00 0.00 N ATOM 459 CA SER A 337 41.643 2.105 9.562 1.00 0.00 C ATOM 460 C SER A 337 42.392 0.800 9.797 1.00 0.00 C ATOM 461 O SER A 337 42.482 0.314 10.924 1.00 0.00 O ATOM 462 CB SER A 337 40.261 1.805 8.987 1.00 0.00 C ATOM 463 OG SER A 337 39.548 0.972 9.892 1.00 0.00 O ATOM 0 H SER A 337 41.905 3.184 7.779 1.00 0.00 H new ATOM 0 HA SER A 337 41.534 2.625 10.513 1.00 0.00 H new ATOM 0 HB2 SER A 337 39.714 2.733 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 337 40.356 1.313 8.019 1.00 0.00 H new ATOM 0 HG SER A 337 38.659 0.778 9.527 1.00 0.00 H new ATOM 469 N VAL A 338 42.925 0.233 8.721 1.00 0.00 N ATOM 470 CA VAL A 338 43.662 -1.021 8.815 1.00 0.00 C ATOM 471 C VAL A 338 44.903 -0.836 9.682 1.00 0.00 C ATOM 472 O VAL A 338 45.217 -1.675 10.525 1.00 0.00 O ATOM 473 CB VAL A 338 44.072 -1.497 7.420 1.00 0.00 C ATOM 474 CG1 VAL A 338 44.992 -2.714 7.543 1.00 0.00 C ATOM 475 CG2 VAL A 338 42.822 -1.869 6.617 1.00 0.00 C ATOM 0 H VAL A 338 42.861 0.619 7.779 1.00 0.00 H new ATOM 0 HA VAL A 338 43.017 -1.772 9.272 1.00 0.00 H new ATOM 0 HB VAL A 338 44.604 -0.697 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 338 45.283 -3.052 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 338 45.883 -2.441 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 338 44.466 -3.517 8.059 1.00 0.00 H new ATOM 0 HG21 VAL A 338 43.115 -2.208 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 338 42.285 -2.668 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 338 42.175 -0.997 6.526 1.00 0.00 H new ATOM 485 N LEU A 339 45.601 0.274 9.470 1.00 0.00 N ATOM 486 CA LEU A 339 46.804 0.568 10.239 1.00 0.00 C ATOM 487 C LEU A 339 46.467 0.698 11.719 1.00 0.00 C ATOM 488 O LEU A 339 47.216 0.242 12.578 1.00 0.00 O ATOM 489 CB LEU A 339 47.441 1.865 9.737 1.00 0.00 C ATOM 490 CG LEU A 339 48.052 1.644 8.346 1.00 0.00 C ATOM 491 CD1 LEU A 339 48.501 2.986 7.767 1.00 0.00 C ATOM 492 CD2 LEU A 339 49.262 0.700 8.436 1.00 0.00 C ATOM 0 H LEU A 339 45.357 0.981 8.777 1.00 0.00 H new ATOM 0 HA LEU A 339 47.510 -0.252 10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 339 46.691 2.655 9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 339 48.211 2.195 10.434 1.00 0.00 H new ATOM 0 HG LEU A 339 47.299 1.194 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 339 48.935 2.829 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 339 47.642 3.652 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 339 49.246 3.434 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 339 49.684 0.553 7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 339 50.017 1.137 9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 339 48.944 -0.261 8.841 1.00 0.00 H new ATOM 504 N GLU A 340 45.334 1.320 12.012 1.00 0.00 N ATOM 505 CA GLU A 340 44.912 1.494 13.395 1.00 0.00 C ATOM 506 C GLU A 340 44.675 0.138 14.049 1.00 0.00 C ATOM 507 O GLU A 340 45.026 -0.072 15.210 1.00 0.00 O ATOM 508 CB GLU A 340 43.633 2.327 13.449 1.00 0.00 C ATOM 509 CG GLU A 340 43.241 2.569 14.908 1.00 0.00 C ATOM 510 CD GLU A 340 42.018 3.474 14.972 1.00 0.00 C ATOM 511 OE1 GLU A 340 41.527 3.849 13.920 1.00 0.00 O ATOM 512 OE2 GLU A 340 41.588 3.780 16.073 1.00 0.00 O ATOM 0 H GLU A 340 44.696 1.709 11.318 1.00 0.00 H new ATOM 0 HA GLU A 340 45.700 2.014 13.939 1.00 0.00 H new ATOM 0 HB2 GLU A 340 43.785 3.279 12.940 1.00 0.00 H new ATOM 0 HB3 GLU A 340 42.828 1.811 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 340 43.028 1.619 15.399 1.00 0.00 H new ATOM 0 HG3 GLU A 340 44.071 3.026 15.446 1.00 0.00 H new ATOM 519 N ASN A 341 44.074 -0.778 13.299 1.00 0.00 N ATOM 520 CA ASN A 341 43.792 -2.108 13.819 1.00 0.00 C ATOM 521 C ASN A 341 45.077 -2.807 14.232 1.00 0.00 C ATOM 522 O ASN A 341 45.119 -3.474 15.264 1.00 0.00 O ATOM 523 CB ASN A 341 43.088 -2.949 12.756 1.00 0.00 C ATOM 524 CG ASN A 341 42.695 -4.304 13.334 1.00 0.00 C ATOM 525 OD1 ASN A 341 43.360 -4.816 14.236 1.00 0.00 O ATOM 526 ND2 ASN A 341 41.647 -4.918 12.862 1.00 0.00 N ATOM 0 H ASN A 341 43.775 -0.625 12.336 1.00 0.00 H new ATOM 0 HA ASN A 341 43.147 -2.000 14.691 1.00 0.00 H new ATOM 0 HB2 ASN A 341 42.201 -2.427 12.397 1.00 0.00 H new ATOM 0 HB3 ASN A 341 43.745 -3.088 11.897 1.00 0.00 H new ATOM 0 HD21 ASN A 341 41.375 -5.826 13.239 1.00 0.00 H new ATOM 0 HD22 ASN A 341 41.099 -4.491 12.115 1.00 0.00 H new ATOM 533 N LEU A 342 46.120 -2.664 13.420 1.00 0.00 N ATOM 534 CA LEU A 342 47.390 -3.312 13.723 1.00 0.00 C ATOM 535 C LEU A 342 47.711 -3.175 15.219 1.00 0.00 C ATOM 536 O LEU A 342 48.076 -2.092 15.683 1.00 0.00 O ATOM 537 CB LEU A 342 48.509 -2.685 12.891 1.00 0.00 C ATOM 538 CG LEU A 342 48.260 -2.975 11.403 1.00 0.00 C ATOM 539 CD1 LEU A 342 49.303 -2.249 10.553 1.00 0.00 C ATOM 540 CD2 LEU A 342 48.352 -4.482 11.133 1.00 0.00 C ATOM 0 H LEU A 342 46.112 -2.114 12.561 1.00 0.00 H new ATOM 0 HA LEU A 342 47.312 -4.370 13.474 1.00 0.00 H new ATOM 0 HB2 LEU A 342 48.546 -1.609 13.062 1.00 0.00 H new ATOM 0 HB3 LEU A 342 49.474 -3.089 13.195 1.00 0.00 H new ATOM 0 HG LEU A 342 47.262 -2.623 11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 342 49.122 -2.458 9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 342 49.232 -1.175 10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 342 50.300 -2.595 10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 342 48.174 -4.674 10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 342 49.345 -4.840 11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 342 47.603 -5.005 11.728 1.00 0.00 H new ATOM 552 N PRO A 343 47.585 -4.239 15.991 1.00 0.00 N ATOM 553 CA PRO A 343 47.881 -4.195 17.459 1.00 0.00 C ATOM 554 C PRO A 343 49.286 -3.670 17.753 1.00 0.00 C ATOM 555 O PRO A 343 50.246 -4.014 17.063 1.00 0.00 O ATOM 556 CB PRO A 343 47.769 -5.658 17.898 1.00 0.00 C ATOM 557 CG PRO A 343 46.874 -6.303 16.899 1.00 0.00 C ATOM 558 CD PRO A 343 47.132 -5.588 15.578 1.00 0.00 C ATOM 0 HA PRO A 343 47.202 -3.523 17.984 1.00 0.00 H new ATOM 0 HB2 PRO A 343 48.747 -6.138 17.917 1.00 0.00 H new ATOM 0 HB3 PRO A 343 47.356 -5.736 18.904 1.00 0.00 H new ATOM 0 HG2 PRO A 343 47.088 -7.368 16.814 1.00 0.00 H new ATOM 0 HG3 PRO A 343 45.829 -6.211 17.195 1.00 0.00 H new ATOM 0 HD2 PRO A 343 47.890 -6.101 14.986 1.00 0.00 H new ATOM 0 HD3 PRO A 343 46.231 -5.538 14.967 1.00 0.00 H new ATOM 566 N GLY A 344 49.397 -2.843 18.790 1.00 0.00 N ATOM 567 CA GLY A 344 50.687 -2.283 19.181 1.00 0.00 C ATOM 568 C GLY A 344 51.047 -1.072 18.325 1.00 0.00 C ATOM 569 O GLY A 344 52.108 -0.472 18.500 1.00 0.00 O ATOM 0 H GLY A 344 48.613 -2.547 19.372 1.00 0.00 H new ATOM 0 HA2 GLY A 344 50.657 -1.993 20.231 1.00 0.00 H new ATOM 0 HA3 GLY A 344 51.461 -3.044 19.083 1.00 0.00 H new ATOM 573 N VAL A 345 50.158 -0.721 17.403 1.00 0.00 N ATOM 574 CA VAL A 345 50.386 0.419 16.523 1.00 0.00 C ATOM 575 C VAL A 345 49.197 1.365 16.563 1.00 0.00 C ATOM 576 O VAL A 345 48.051 0.938 16.426 1.00 0.00 O ATOM 577 CB VAL A 345 50.600 -0.060 15.090 1.00 0.00 C ATOM 578 CG1 VAL A 345 50.826 1.147 14.177 1.00 0.00 C ATOM 579 CG2 VAL A 345 51.818 -0.982 15.039 1.00 0.00 C ATOM 0 H VAL A 345 49.275 -1.208 17.246 1.00 0.00 H new ATOM 0 HA VAL A 345 51.276 0.946 16.867 1.00 0.00 H new ATOM 0 HB VAL A 345 49.720 -0.607 14.752 1.00 0.00 H new ATOM 0 HG11 VAL A 345 50.979 0.805 13.153 1.00 0.00 H new ATOM 0 HG12 VAL A 345 49.954 1.800 14.215 1.00 0.00 H new ATOM 0 HG13 VAL A 345 51.706 1.696 14.511 1.00 0.00 H new ATOM 0 HG21 VAL A 345 51.972 -1.325 14.016 1.00 0.00 H new ATOM 0 HG22 VAL A 345 52.700 -0.438 15.376 1.00 0.00 H new ATOM 0 HG23 VAL A 345 51.651 -1.841 15.689 1.00 0.00 H new ATOM 589 N ASP A 346 49.479 2.650 16.746 1.00 0.00 N ATOM 590 CA ASP A 346 48.425 3.654 16.796 1.00 0.00 C ATOM 591 C ASP A 346 48.740 4.823 15.854 1.00 0.00 C ATOM 592 O ASP A 346 49.907 5.131 15.612 1.00 0.00 O ATOM 593 CB ASP A 346 48.263 4.166 18.236 1.00 0.00 C ATOM 594 CG ASP A 346 49.557 4.802 18.734 1.00 0.00 C ATOM 595 OD1 ASP A 346 50.602 4.467 18.208 1.00 0.00 O ATOM 596 OD2 ASP A 346 49.482 5.619 19.639 1.00 0.00 O ATOM 0 H ASP A 346 50.423 3.019 16.861 1.00 0.00 H new ATOM 0 HA ASP A 346 47.492 3.194 16.469 1.00 0.00 H new ATOM 0 HB2 ASP A 346 47.454 4.896 18.278 1.00 0.00 H new ATOM 0 HB3 ASP A 346 47.983 3.341 18.891 1.00 0.00 H new ATOM 601 N PRO A 347 47.731 5.481 15.320 1.00 0.00 N ATOM 602 CA PRO A 347 47.928 6.640 14.395 1.00 0.00 C ATOM 603 C PRO A 347 48.639 7.807 15.077 1.00 0.00 C ATOM 604 O PRO A 347 49.166 8.700 14.414 1.00 0.00 O ATOM 605 CB PRO A 347 46.504 7.027 13.973 1.00 0.00 C ATOM 606 CG PRO A 347 45.612 6.464 15.027 1.00 0.00 C ATOM 607 CD PRO A 347 46.296 5.196 15.522 1.00 0.00 C ATOM 0 HA PRO A 347 48.564 6.381 13.549 1.00 0.00 H new ATOM 0 HB2 PRO A 347 46.395 8.109 13.903 1.00 0.00 H new ATOM 0 HB3 PRO A 347 46.260 6.618 12.992 1.00 0.00 H new ATOM 0 HG2 PRO A 347 45.473 7.175 15.841 1.00 0.00 H new ATOM 0 HG3 PRO A 347 44.624 6.243 14.624 1.00 0.00 H new ATOM 0 HD2 PRO A 347 46.069 5.000 16.570 1.00 0.00 H new ATOM 0 HD3 PRO A 347 45.977 4.320 14.957 1.00 0.00 H new ATOM 615 N ASN A 348 48.650 7.793 16.406 1.00 0.00 N ATOM 616 CA ASN A 348 49.300 8.855 17.165 1.00 0.00 C ATOM 617 C ASN A 348 50.820 8.733 17.078 1.00 0.00 C ATOM 618 O ASN A 348 51.545 9.653 17.454 1.00 0.00 O ATOM 619 CB ASN A 348 48.860 8.797 18.629 1.00 0.00 C ATOM 620 CG ASN A 348 47.406 9.237 18.754 1.00 0.00 C ATOM 621 OD1 ASN A 348 46.880 9.906 17.864 1.00 0.00 O ATOM 622 ND2 ASN A 348 46.720 8.902 19.813 1.00 0.00 N ATOM 0 H ASN A 348 48.220 7.064 16.976 1.00 0.00 H new ATOM 0 HA ASN A 348 49.004 9.812 16.736 1.00 0.00 H new ATOM 0 HB2 ASN A 348 48.976 7.783 19.012 1.00 0.00 H new ATOM 0 HB3 ASN A 348 49.497 9.442 19.235 1.00 0.00 H new ATOM 0 HD21 ASN A 348 45.747 9.194 19.904 1.00 0.00 H new ATOM 0 HD22 ASN A 348 47.157 8.348 20.549 1.00 0.00 H new ATOM 629 N ASN A 349 51.299 7.598 16.575 1.00 0.00 N ATOM 630 CA ASN A 349 52.730 7.382 16.441 1.00 0.00 C ATOM 631 C ASN A 349 53.328 8.364 15.445 1.00 0.00 C ATOM 632 O ASN A 349 52.770 8.602 14.374 1.00 0.00 O ATOM 633 CB ASN A 349 53.004 5.950 15.978 1.00 0.00 C ATOM 634 CG ASN A 349 52.984 5.002 17.170 1.00 0.00 C ATOM 635 OD1 ASN A 349 53.122 5.438 18.313 1.00 0.00 O ATOM 636 ND2 ASN A 349 52.819 3.721 16.973 1.00 0.00 N ATOM 0 H ASN A 349 50.719 6.821 16.257 1.00 0.00 H new ATOM 0 HA ASN A 349 53.194 7.542 17.414 1.00 0.00 H new ATOM 0 HB2 ASN A 349 52.254 5.645 15.249 1.00 0.00 H new ATOM 0 HB3 ASN A 349 53.972 5.900 15.479 1.00 0.00 H new ATOM 0 HD21 ASN A 349 52.804 3.081 17.767 1.00 0.00 H new ATOM 0 HD22 ASN A 349 52.705 3.361 16.025 1.00 0.00 H new ATOM 643 N GLU A 350 54.471 8.924 15.810 1.00 0.00 N ATOM 644 CA GLU A 350 55.154 9.878 14.950 1.00 0.00 C ATOM 645 C GLU A 350 55.571 9.209 13.646 1.00 0.00 C ATOM 646 O GLU A 350 55.506 9.817 12.579 1.00 0.00 O ATOM 647 CB GLU A 350 56.389 10.442 15.659 1.00 0.00 C ATOM 648 CG GLU A 350 57.050 11.505 14.776 1.00 0.00 C ATOM 649 CD GLU A 350 58.242 12.122 15.500 1.00 0.00 C ATOM 650 OE1 GLU A 350 58.502 11.719 16.620 1.00 0.00 O ATOM 651 OE2 GLU A 350 58.877 12.989 14.921 1.00 0.00 O ATOM 0 H GLU A 350 54.944 8.735 16.694 1.00 0.00 H new ATOM 0 HA GLU A 350 54.468 10.695 14.727 1.00 0.00 H new ATOM 0 HB2 GLU A 350 56.104 10.877 16.617 1.00 0.00 H new ATOM 0 HB3 GLU A 350 57.096 9.640 15.871 1.00 0.00 H new ATOM 0 HG2 GLU A 350 57.377 11.057 13.838 1.00 0.00 H new ATOM 0 HG3 GLU A 350 56.327 12.281 14.524 1.00 0.00 H new ATOM 658 N ALA A 351 56.014 7.957 13.743 1.00 0.00 N ATOM 659 CA ALA A 351 56.457 7.225 12.561 1.00 0.00 C ATOM 660 C ALA A 351 55.323 7.092 11.554 1.00 0.00 C ATOM 661 O ALA A 351 55.513 7.320 10.361 1.00 0.00 O ATOM 662 CB ALA A 351 56.947 5.835 12.967 1.00 0.00 C ATOM 0 H ALA A 351 56.075 7.435 14.617 1.00 0.00 H new ATOM 0 HA ALA A 351 57.273 7.780 12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 351 57.277 5.292 12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 351 57.779 5.932 13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 351 56.135 5.288 13.446 1.00 0.00 H new ATOM 668 N ILE A 352 54.139 6.748 12.043 1.00 0.00 N ATOM 669 CA ILE A 352 52.981 6.614 11.174 1.00 0.00 C ATOM 670 C ILE A 352 52.619 7.954 10.548 1.00 0.00 C ATOM 671 O ILE A 352 52.351 8.038 9.350 1.00 0.00 O ATOM 672 CB ILE A 352 51.793 6.065 11.963 1.00 0.00 C ATOM 673 CG1 ILE A 352 51.914 4.540 12.082 1.00 0.00 C ATOM 674 CG2 ILE A 352 50.488 6.420 11.246 1.00 0.00 C ATOM 675 CD1 ILE A 352 53.202 4.162 12.824 1.00 0.00 C ATOM 0 H ILE A 352 53.957 6.558 13.029 1.00 0.00 H new ATOM 0 HA ILE A 352 53.230 5.917 10.374 1.00 0.00 H new ATOM 0 HB ILE A 352 51.789 6.507 12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 352 51.050 4.141 12.613 1.00 0.00 H new ATOM 0 HG13 ILE A 352 51.913 4.090 11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 352 49.643 6.027 11.812 1.00 0.00 H new ATOM 0 HG22 ILE A 352 50.399 7.504 11.167 1.00 0.00 H new ATOM 0 HG23 ILE A 352 50.491 5.983 10.248 1.00 0.00 H new ATOM 0 HD11 ILE A 352 53.273 3.077 12.900 1.00 0.00 H new ATOM 0 HD12 ILE A 352 54.063 4.544 12.276 1.00 0.00 H new ATOM 0 HD13 ILE A 352 53.186 4.596 13.824 1.00 0.00 H new ATOM 687 N ARG A 353 52.618 9.002 11.360 1.00 0.00 N ATOM 688 CA ARG A 353 52.284 10.330 10.862 1.00 0.00 C ATOM 689 C ARG A 353 53.276 10.766 9.787 1.00 0.00 C ATOM 690 O ARG A 353 52.886 11.264 8.731 1.00 0.00 O ATOM 691 CB ARG A 353 52.299 11.333 12.016 1.00 0.00 C ATOM 692 CG ARG A 353 51.908 12.719 11.499 1.00 0.00 C ATOM 693 CD ARG A 353 51.794 13.688 12.677 1.00 0.00 C ATOM 694 NE ARG A 353 53.091 13.849 13.323 1.00 0.00 N ATOM 695 CZ ARG A 353 53.213 14.528 14.458 1.00 0.00 C ATOM 696 NH1 ARG A 353 54.384 14.660 15.017 1.00 0.00 N ATOM 697 NH2 ARG A 353 52.162 15.064 15.014 1.00 0.00 N ATOM 0 H ARG A 353 52.842 8.961 12.354 1.00 0.00 H new ATOM 0 HA ARG A 353 51.287 10.296 10.422 1.00 0.00 H new ATOM 0 HB2 ARG A 353 51.606 11.016 12.795 1.00 0.00 H new ATOM 0 HB3 ARG A 353 53.291 11.369 12.467 1.00 0.00 H new ATOM 0 HG2 ARG A 353 52.654 13.078 10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 353 50.959 12.666 10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 353 51.431 14.655 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 353 51.065 13.314 13.396 1.00 0.00 H new ATOM 0 HE ARG A 353 53.919 13.433 12.896 1.00 0.00 H new ATOM 0 HH11 ARG A 353 55.207 14.242 14.583 1.00 0.00 H new ATOM 0 HH12 ARG A 353 54.477 15.182 15.889 1.00 0.00 H new ATOM 0 HH21 ARG A 353 51.246 14.962 14.577 1.00 0.00 H new ATOM 0 HH22 ARG A 353 52.256 15.585 15.886 1.00 0.00 H new ATOM 711 N ASN A 354 54.560 10.572 10.064 1.00 0.00 N ATOM 712 CA ASN A 354 55.600 10.947 9.114 1.00 0.00 C ATOM 713 C ASN A 354 55.467 10.143 7.825 1.00 0.00 C ATOM 714 O ASN A 354 55.633 10.677 6.729 1.00 0.00 O ATOM 715 CB ASN A 354 56.979 10.712 9.732 1.00 0.00 C ATOM 716 CG ASN A 354 58.063 11.213 8.784 1.00 0.00 C ATOM 717 OD1 ASN A 354 57.808 11.409 7.596 1.00 0.00 O ATOM 718 ND2 ASN A 354 59.265 11.435 9.242 1.00 0.00 N ATOM 0 H ASN A 354 54.904 10.161 10.932 1.00 0.00 H new ATOM 0 HA ASN A 354 55.486 12.005 8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 354 57.052 11.230 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 354 57.121 9.650 9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 354 59.996 11.772 8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 354 59.474 11.272 10.227 1.00 0.00 H new ATOM 725 N ALA A 355 55.177 8.854 7.965 1.00 0.00 N ATOM 726 CA ALA A 355 55.035 7.983 6.807 1.00 0.00 C ATOM 727 C ALA A 355 53.897 8.457 5.908 1.00 0.00 C ATOM 728 O ALA A 355 54.023 8.463 4.684 1.00 0.00 O ATOM 729 CB ALA A 355 54.764 6.553 7.271 1.00 0.00 C ATOM 0 H ALA A 355 55.037 8.393 8.864 1.00 0.00 H new ATOM 0 HA ALA A 355 55.962 8.014 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 355 54.658 5.903 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 355 55.595 6.206 7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 355 53.845 6.529 7.857 1.00 0.00 H new ATOM 735 N MET A 356 52.789 8.860 6.521 1.00 0.00 N ATOM 736 CA MET A 356 51.643 9.338 5.758 1.00 0.00 C ATOM 737 C MET A 356 52.004 10.608 4.994 1.00 0.00 C ATOM 738 O MET A 356 51.592 10.791 3.848 1.00 0.00 O ATOM 739 CB MET A 356 50.473 9.620 6.703 1.00 0.00 C ATOM 740 CG MET A 356 49.913 8.306 7.266 1.00 0.00 C ATOM 741 SD MET A 356 49.147 7.333 5.941 1.00 0.00 S ATOM 742 CE MET A 356 50.374 6.001 5.853 1.00 0.00 C ATOM 0 H MET A 356 52.661 8.865 7.533 1.00 0.00 H new ATOM 0 HA MET A 356 51.354 8.568 5.042 1.00 0.00 H new ATOM 0 HB2 MET A 356 50.803 10.262 7.520 1.00 0.00 H new ATOM 0 HB3 MET A 356 49.689 10.159 6.171 1.00 0.00 H new ATOM 0 HG2 MET A 356 50.713 7.732 7.733 1.00 0.00 H new ATOM 0 HG3 MET A 356 49.178 8.518 8.043 1.00 0.00 H new ATOM 0 HE1 MET A 356 50.295 5.496 4.890 1.00 0.00 H new ATOM 0 HE2 MET A 356 51.374 6.420 5.962 1.00 0.00 H new ATOM 0 HE3 MET A 356 50.192 5.285 6.654 1.00 0.00 H new ATOM 752 N GLY A 357 52.779 11.481 5.629 1.00 0.00 N ATOM 753 CA GLY A 357 53.185 12.724 4.985 1.00 0.00 C ATOM 754 C GLY A 357 54.021 12.446 3.741 1.00 0.00 C ATOM 755 O GLY A 357 53.823 13.065 2.696 1.00 0.00 O ATOM 0 H GLY A 357 53.134 11.354 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 357 52.302 13.302 4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 357 53.759 13.330 5.686 1.00 0.00 H new ATOM 759 N SER A 358 54.953 11.504 3.860 1.00 0.00 N ATOM 760 CA SER A 358 55.810 11.150 2.735 1.00 0.00 C ATOM 761 C SER A 358 54.995 10.501 1.624 1.00 0.00 C ATOM 762 O SER A 358 55.240 10.736 0.441 1.00 0.00 O ATOM 763 CB SER A 358 56.907 10.189 3.194 1.00 0.00 C ATOM 764 OG SER A 358 56.313 8.988 3.666 1.00 0.00 O ATOM 0 H SER A 358 55.132 10.978 4.715 1.00 0.00 H new ATOM 0 HA SER A 358 56.266 12.062 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 358 57.585 9.973 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 358 57.502 10.649 3.983 1.00 0.00 H new ATOM 0 HG SER A 358 55.441 9.189 4.065 1.00 0.00 H new ATOM 770 N LEU A 359 54.026 9.682 2.013 1.00 0.00 N ATOM 771 CA LEU A 359 53.183 9.004 1.038 1.00 0.00 C ATOM 772 C LEU A 359 52.396 10.025 0.226 1.00 0.00 C ATOM 773 O LEU A 359 52.275 9.905 -0.993 1.00 0.00 O ATOM 774 CB LEU A 359 52.217 8.045 1.752 1.00 0.00 C ATOM 775 CG LEU A 359 51.338 7.309 0.726 1.00 0.00 C ATOM 776 CD1 LEU A 359 52.217 6.476 -0.212 1.00 0.00 C ATOM 777 CD2 LEU A 359 50.367 6.376 1.458 1.00 0.00 C ATOM 0 H LEU A 359 53.806 9.473 2.987 1.00 0.00 H new ATOM 0 HA LEU A 359 53.818 8.430 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 359 52.781 7.323 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 359 51.588 8.602 2.446 1.00 0.00 H new ATOM 0 HG LEU A 359 50.780 8.044 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 359 51.588 5.958 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 359 52.911 7.132 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 359 52.779 5.745 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 359 49.745 5.855 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 359 50.931 5.648 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 359 49.733 6.961 2.125 1.00 0.00 H new ATOM 789 N ALA A 360 51.856 11.025 0.910 1.00 0.00 N ATOM 790 CA ALA A 360 51.074 12.055 0.238 1.00 0.00 C ATOM 791 C ALA A 360 51.923 12.794 -0.789 1.00 0.00 C ATOM 792 O ALA A 360 51.462 13.091 -1.893 1.00 0.00 O ATOM 793 CB ALA A 360 50.532 13.049 1.267 1.00 0.00 C ATOM 0 H ALA A 360 51.943 11.145 1.919 1.00 0.00 H new ATOM 0 HA ALA A 360 50.243 11.574 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 360 49.948 13.817 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 360 49.898 12.524 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 360 51.363 13.516 1.795 1.00 0.00 H new ATOM 1099 N LYS B 25 37.375 -5.607 -3.118 1.00 0.00 N ATOM 1100 CA LYS B 25 38.773 -5.329 -3.431 1.00 0.00 C ATOM 1101 C LYS B 25 39.482 -4.721 -2.226 1.00 0.00 C ATOM 1102 O LYS B 25 40.631 -5.051 -1.936 1.00 0.00 O ATOM 1103 CB LYS B 25 38.847 -4.363 -4.611 1.00 0.00 C ATOM 1104 CG LYS B 25 38.414 -5.092 -5.889 1.00 0.00 C ATOM 1105 CD LYS B 25 39.621 -5.765 -6.562 1.00 0.00 C ATOM 1106 CE LYS B 25 40.390 -4.749 -7.412 1.00 0.00 C ATOM 1107 NZ LYS B 25 41.721 -5.316 -7.772 1.00 0.00 N ATOM 0 HA LYS B 25 39.268 -6.265 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS B 25 38.202 -3.503 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS B 25 39.862 -3.983 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS B 25 37.660 -5.841 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS B 25 37.953 -4.385 -6.579 1.00 0.00 H new ATOM 0 HD2 LYS B 25 40.280 -6.188 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS B 25 39.283 -6.591 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS B 25 39.827 -4.512 -8.314 1.00 0.00 H new ATOM 0 HE3 LYS B 25 40.516 -3.817 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 42.246 -4.629 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 42.257 -5.521 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 41.589 -6.194 -8.313 1.00 0.00 H new ATOM 1121 N ARG B 26 38.788 -3.833 -1.524 1.00 0.00 N ATOM 1122 CA ARG B 26 39.361 -3.186 -0.350 1.00 0.00 C ATOM 1123 C ARG B 26 39.684 -4.225 0.719 1.00 0.00 C ATOM 1124 O ARG B 26 40.716 -4.147 1.386 1.00 0.00 O ATOM 1125 CB ARG B 26 38.369 -2.168 0.211 1.00 0.00 C ATOM 1126 CG ARG B 26 38.263 -0.983 -0.747 1.00 0.00 C ATOM 1127 CD ARG B 26 37.122 -0.070 -0.298 1.00 0.00 C ATOM 1128 NE ARG B 26 37.049 1.105 -1.160 1.00 0.00 N ATOM 1129 CZ ARG B 26 36.035 1.961 -1.076 1.00 0.00 C ATOM 1130 NH1 ARG B 26 35.082 1.760 -0.209 1.00 0.00 N ATOM 1131 NH2 ARG B 26 35.992 3.003 -1.863 1.00 0.00 N ATOM 0 H ARG B 26 37.834 -3.546 -1.745 1.00 0.00 H new ATOM 0 HA ARG B 26 40.281 -2.678 -0.641 1.00 0.00 H new ATOM 0 HB2 ARG B 26 37.391 -2.631 0.344 1.00 0.00 H new ATOM 0 HB3 ARG B 26 38.696 -1.828 1.193 1.00 0.00 H new ATOM 0 HG2 ARG B 26 39.202 -0.429 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG B 26 38.083 -1.336 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG B 26 36.178 -0.613 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG B 26 37.278 0.237 0.736 1.00 0.00 H new ATOM 0 HE ARG B 26 37.790 1.273 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG B 26 35.114 0.946 0.405 1.00 0.00 H new ATOM 0 HH12 ARG B 26 34.304 2.417 -0.145 1.00 0.00 H new ATOM 0 HH21 ARG B 26 36.737 3.160 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG B 26 35.214 3.659 -1.798 1.00 0.00 H new ATOM 1145 N ALA B 27 38.794 -5.200 0.873 1.00 0.00 N ATOM 1146 CA ALA B 27 38.998 -6.255 1.861 1.00 0.00 C ATOM 1147 C ALA B 27 40.272 -7.033 1.553 1.00 0.00 C ATOM 1148 O ALA B 27 41.031 -7.388 2.456 1.00 0.00 O ATOM 1149 CB ALA B 27 37.804 -7.212 1.865 1.00 0.00 C ATOM 0 H ALA B 27 37.933 -5.282 0.333 1.00 0.00 H new ATOM 0 HA ALA B 27 39.092 -5.792 2.843 1.00 0.00 H new ATOM 0 HB1 ALA B 27 37.968 -7.995 2.606 1.00 0.00 H new ATOM 0 HB2 ALA B 27 36.897 -6.661 2.113 1.00 0.00 H new ATOM 0 HB3 ALA B 27 37.696 -7.663 0.879 1.00 0.00 H new ATOM 1155 N ALA B 28 40.504 -7.293 0.271 1.00 0.00 N ATOM 1156 CA ALA B 28 41.695 -8.026 -0.146 1.00 0.00 C ATOM 1157 C ALA B 28 42.953 -7.262 0.250 1.00 0.00 C ATOM 1158 O ALA B 28 43.940 -7.854 0.689 1.00 0.00 O ATOM 1159 CB ALA B 28 41.676 -8.238 -1.661 1.00 0.00 C ATOM 0 H ALA B 28 39.889 -7.010 -0.492 1.00 0.00 H new ATOM 0 HA ALA B 28 41.699 -8.995 0.352 1.00 0.00 H new ATOM 0 HB1 ALA B 28 42.569 -8.786 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA B 28 40.789 -8.808 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA B 28 41.656 -7.271 -2.163 1.00 0.00 H new ATOM 1165 N ALA B 29 42.909 -5.940 0.090 1.00 0.00 N ATOM 1166 CA ALA B 29 44.051 -5.098 0.435 1.00 0.00 C ATOM 1167 C ALA B 29 44.372 -5.218 1.922 1.00 0.00 C ATOM 1168 O ALA B 29 45.538 -5.287 2.311 1.00 0.00 O ATOM 1169 CB ALA B 29 43.745 -3.634 0.094 1.00 0.00 C ATOM 0 H ALA B 29 42.102 -5.433 -0.273 1.00 0.00 H new ATOM 0 HA ALA B 29 44.913 -5.432 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA B 29 44.602 -3.013 0.355 1.00 0.00 H new ATOM 0 HB2 ALA B 29 43.542 -3.544 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA B 29 42.873 -3.304 0.658 1.00 0.00 H new ATOM 1175 N LYS B 30 43.328 -5.245 2.747 1.00 0.00 N ATOM 1176 CA LYS B 30 43.508 -5.360 4.191 1.00 0.00 C ATOM 1177 C LYS B 30 44.197 -6.672 4.544 1.00 0.00 C ATOM 1178 O LYS B 30 45.088 -6.704 5.393 1.00 0.00 O ATOM 1179 CB LYS B 30 42.151 -5.276 4.901 1.00 0.00 C ATOM 1180 CG LYS B 30 42.353 -5.369 6.417 1.00 0.00 C ATOM 1181 CD LYS B 30 41.007 -5.199 7.124 1.00 0.00 C ATOM 1182 CE LYS B 30 41.199 -5.358 8.634 1.00 0.00 C ATOM 1183 NZ LYS B 30 42.093 -4.277 9.138 1.00 0.00 N ATOM 0 H LYS B 30 42.356 -5.189 2.443 1.00 0.00 H new ATOM 0 HA LYS B 30 44.138 -4.535 4.525 1.00 0.00 H new ATOM 0 HB2 LYS B 30 41.655 -4.339 4.648 1.00 0.00 H new ATOM 0 HB3 LYS B 30 41.502 -6.083 4.561 1.00 0.00 H new ATOM 0 HG2 LYS B 30 42.793 -6.332 6.677 1.00 0.00 H new ATOM 0 HG3 LYS B 30 43.050 -4.600 6.749 1.00 0.00 H new ATOM 0 HD2 LYS B 30 40.589 -4.217 6.901 1.00 0.00 H new ATOM 0 HD3 LYS B 30 40.296 -5.939 6.757 1.00 0.00 H new ATOM 0 HE2 LYS B 30 40.235 -5.313 9.141 1.00 0.00 H new ATOM 0 HE3 LYS B 30 41.630 -6.334 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 42.063 -4.258 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 43.068 -4.457 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 41.773 -3.360 8.766 1.00 0.00 H new ATOM 1197 N HIS B 31 43.777 -7.752 3.897 1.00 0.00 N ATOM 1198 CA HIS B 31 44.364 -9.057 4.167 1.00 0.00 C ATOM 1199 C HIS B 31 45.855 -9.057 3.851 1.00 0.00 C ATOM 1200 O HIS B 31 46.657 -9.586 4.617 1.00 0.00 O ATOM 1201 CB HIS B 31 43.665 -10.126 3.320 1.00 0.00 C ATOM 1202 CG HIS B 31 42.295 -10.400 3.880 1.00 0.00 C ATOM 1203 ND1 HIS B 31 41.355 -11.157 3.196 1.00 0.00 N ATOM 1204 CD2 HIS B 31 41.697 -10.036 5.059 1.00 0.00 C ATOM 1205 CE1 HIS B 31 40.252 -11.225 3.965 1.00 0.00 C ATOM 1206 NE2 HIS B 31 40.407 -10.558 5.112 1.00 0.00 N ATOM 0 H HIS B 31 43.041 -7.751 3.190 1.00 0.00 H new ATOM 0 HA HIS B 31 44.231 -9.279 5.226 1.00 0.00 H new ATOM 0 HB2 HIS B 31 43.585 -9.790 2.286 1.00 0.00 H new ATOM 0 HB3 HIS B 31 44.256 -11.042 3.313 1.00 0.00 H new ATOM 0 HD2 HIS B 31 42.157 -9.435 5.830 1.00 0.00 H new ATOM 0 HE1 HIS B 31 39.352 -11.754 3.688 1.00 0.00 H new ATOM 0 HE2 HIS B 31 39.727 -10.454 5.865 1.00 0.00 H new ATOM 1215 N LEU B 32 46.227 -8.456 2.727 1.00 0.00 N ATOM 1216 CA LEU B 32 47.629 -8.398 2.343 1.00 0.00 C ATOM 1217 C LEU B 32 48.394 -7.635 3.417 1.00 0.00 C ATOM 1218 O LEU B 32 49.428 -8.092 3.901 1.00 0.00 O ATOM 1219 CB LEU B 32 47.755 -7.745 0.965 1.00 0.00 C ATOM 1220 CG LEU B 32 47.206 -8.692 -0.110 1.00 0.00 C ATOM 1221 CD1 LEU B 32 47.135 -7.956 -1.451 1.00 0.00 C ATOM 1222 CD2 LEU B 32 48.113 -9.923 -0.254 1.00 0.00 C ATOM 0 H LEU B 32 45.585 -8.007 2.074 1.00 0.00 H new ATOM 0 HA LEU B 32 48.056 -9.398 2.266 1.00 0.00 H new ATOM 0 HB2 LEU B 32 47.207 -6.803 0.947 1.00 0.00 H new ATOM 0 HB3 LEU B 32 48.799 -7.510 0.757 1.00 0.00 H new ATOM 0 HG LEU B 32 46.210 -9.019 0.187 1.00 0.00 H new ATOM 0 HD11 LEU B 32 46.745 -8.629 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU B 32 46.477 -7.092 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU B 32 48.133 -7.623 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU B 32 47.709 -10.585 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU B 32 49.115 -9.605 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU B 32 48.159 -10.454 0.697 1.00 0.00 H new ATOM 1234 N ILE B 33 47.897 -6.452 3.759 1.00 0.00 N ATOM 1235 CA ILE B 33 48.575 -5.609 4.732 1.00 0.00 C ATOM 1236 C ILE B 33 48.716 -6.344 6.058 1.00 0.00 C ATOM 1237 O ILE B 33 49.780 -6.329 6.677 1.00 0.00 O ATOM 1238 CB ILE B 33 47.795 -4.309 4.934 1.00 0.00 C ATOM 1239 CG1 ILE B 33 47.875 -3.471 3.655 1.00 0.00 C ATOM 1240 CG2 ILE B 33 48.408 -3.525 6.095 1.00 0.00 C ATOM 1241 CD1 ILE B 33 46.875 -2.316 3.730 1.00 0.00 C ATOM 0 H ILE B 33 47.035 -6.059 3.380 1.00 0.00 H new ATOM 0 HA ILE B 33 49.570 -5.370 4.356 1.00 0.00 H new ATOM 0 HB ILE B 33 46.753 -4.536 5.159 1.00 0.00 H new ATOM 0 HG12 ILE B 33 48.885 -3.082 3.527 1.00 0.00 H new ATOM 0 HG13 ILE B 33 47.661 -4.094 2.787 1.00 0.00 H new ATOM 0 HG21 ILE B 33 47.854 -2.598 6.241 1.00 0.00 H new ATOM 0 HG22 ILE B 33 48.359 -4.124 7.004 1.00 0.00 H new ATOM 0 HG23 ILE B 33 49.449 -3.294 5.868 1.00 0.00 H new ATOM 0 HD11 ILE B 33 46.936 -1.722 2.818 1.00 0.00 H new ATOM 0 HD12 ILE B 33 45.866 -2.715 3.837 1.00 0.00 H new ATOM 0 HD13 ILE B 33 47.110 -1.687 4.588 1.00 0.00 H new ATOM 1253 N GLU B 34 47.638 -6.990 6.484 1.00 0.00 N ATOM 1254 CA GLU B 34 47.654 -7.731 7.736 1.00 0.00 C ATOM 1255 C GLU B 34 48.685 -8.850 7.676 1.00 0.00 C ATOM 1256 O GLU B 34 49.456 -9.045 8.618 1.00 0.00 O ATOM 1257 CB GLU B 34 46.267 -8.319 8.011 1.00 0.00 C ATOM 1258 CG GLU B 34 46.284 -9.086 9.336 1.00 0.00 C ATOM 1259 CD GLU B 34 44.877 -9.557 9.687 1.00 0.00 C ATOM 1260 OE1 GLU B 34 43.970 -9.274 8.922 1.00 0.00 O ATOM 1261 OE2 GLU B 34 44.727 -10.194 10.717 1.00 0.00 O ATOM 0 H GLU B 34 46.749 -7.015 5.985 1.00 0.00 H new ATOM 0 HA GLU B 34 47.922 -7.049 8.542 1.00 0.00 H new ATOM 0 HB2 GLU B 34 45.525 -7.522 8.051 1.00 0.00 H new ATOM 0 HB3 GLU B 34 45.976 -8.985 7.198 1.00 0.00 H new ATOM 0 HG2 GLU B 34 46.954 -9.942 9.261 1.00 0.00 H new ATOM 0 HG3 GLU B 34 46.671 -8.447 10.130 1.00 0.00 H new ATOM 1268 N ARG B 35 48.699 -9.584 6.567 1.00 0.00 N ATOM 1269 CA ARG B 35 49.651 -10.676 6.414 1.00 0.00 C ATOM 1270 C ARG B 35 51.079 -10.151 6.392 1.00 0.00 C ATOM 1271 O ARG B 35 51.972 -10.740 6.994 1.00 0.00 O ATOM 1272 CB ARG B 35 49.370 -11.443 5.124 1.00 0.00 C ATOM 1273 CG ARG B 35 48.073 -12.241 5.273 1.00 0.00 C ATOM 1274 CD ARG B 35 47.679 -12.825 3.917 1.00 0.00 C ATOM 1275 NE ARG B 35 48.704 -13.752 3.453 1.00 0.00 N ATOM 1276 CZ ARG B 35 48.636 -14.306 2.247 1.00 0.00 C ATOM 1277 NH1 ARG B 35 47.635 -14.030 1.457 1.00 0.00 N ATOM 1278 NH2 ARG B 35 49.571 -15.127 1.853 1.00 0.00 N ATOM 0 H ARG B 35 48.073 -9.445 5.774 1.00 0.00 H new ATOM 0 HA ARG B 35 49.537 -11.345 7.267 1.00 0.00 H new ATOM 0 HB2 ARG B 35 49.288 -10.749 4.287 1.00 0.00 H new ATOM 0 HB3 ARG B 35 50.199 -12.115 4.901 1.00 0.00 H new ATOM 0 HG2 ARG B 35 48.207 -13.041 6.001 1.00 0.00 H new ATOM 0 HG3 ARG B 35 47.278 -11.597 5.649 1.00 0.00 H new ATOM 0 HD2 ARG B 35 46.722 -13.340 3.999 1.00 0.00 H new ATOM 0 HD3 ARG B 35 47.548 -12.023 3.191 1.00 0.00 H new ATOM 0 HE ARG B 35 49.488 -13.979 4.065 1.00 0.00 H new ATOM 0 HH11 ARG B 35 46.904 -13.389 1.765 1.00 0.00 H new ATOM 0 HH12 ARG B 35 47.583 -14.456 0.531 1.00 0.00 H new ATOM 0 HH21 ARG B 35 50.353 -15.343 2.471 1.00 0.00 H new ATOM 0 HH22 ARG B 35 49.519 -15.553 0.927 1.00 0.00 H new ATOM 1292 N TYR B 36 51.291 -9.038 5.699 1.00 0.00 N ATOM 1293 CA TYR B 36 52.624 -8.455 5.613 1.00 0.00 C ATOM 1294 C TYR B 36 53.123 -8.030 6.990 1.00 0.00 C ATOM 1295 O TYR B 36 54.273 -8.276 7.344 1.00 0.00 O ATOM 1296 CB TYR B 36 52.599 -7.237 4.684 1.00 0.00 C ATOM 1297 CG TYR B 36 52.702 -7.686 3.244 1.00 0.00 C ATOM 1298 CD1 TYR B 36 51.637 -7.469 2.360 1.00 0.00 C ATOM 1299 CD2 TYR B 36 53.864 -8.323 2.795 1.00 0.00 C ATOM 1300 CE1 TYR B 36 51.733 -7.889 1.029 1.00 0.00 C ATOM 1301 CE2 TYR B 36 53.963 -8.740 1.462 1.00 0.00 C ATOM 1302 CZ TYR B 36 52.897 -8.525 0.579 1.00 0.00 C ATOM 1303 OH TYR B 36 52.993 -8.940 -0.733 1.00 0.00 O ATOM 0 H TYR B 36 50.567 -8.527 5.194 1.00 0.00 H new ATOM 0 HA TYR B 36 53.301 -9.210 5.214 1.00 0.00 H new ATOM 0 HB2 TYR B 36 51.678 -6.674 4.833 1.00 0.00 H new ATOM 0 HB3 TYR B 36 53.425 -6.568 4.925 1.00 0.00 H new ATOM 0 HD1 TYR B 36 50.740 -6.977 2.707 1.00 0.00 H new ATOM 0 HD2 TYR B 36 54.684 -8.493 3.476 1.00 0.00 H new ATOM 0 HE1 TYR B 36 50.910 -7.723 0.349 1.00 0.00 H new ATOM 0 HE2 TYR B 36 54.862 -9.228 1.114 1.00 0.00 H new ATOM 0 HH TYR B 36 53.831 -9.432 -0.860 1.00 0.00 H new ATOM 1313 N TYR B 37 52.252 -7.393 7.761 1.00 0.00 N ATOM 1314 CA TYR B 37 52.615 -6.937 9.096 1.00 0.00 C ATOM 1315 C TYR B 37 52.996 -8.113 9.981 1.00 0.00 C ATOM 1316 O TYR B 37 54.041 -8.103 10.633 1.00 0.00 O ATOM 1317 CB TYR B 37 51.443 -6.180 9.723 1.00 0.00 C ATOM 1318 CG TYR B 37 51.801 -5.780 11.132 1.00 0.00 C ATOM 1319 CD1 TYR B 37 52.672 -4.708 11.352 1.00 0.00 C ATOM 1320 CD2 TYR B 37 51.260 -6.478 12.218 1.00 0.00 C ATOM 1321 CE1 TYR B 37 53.007 -4.335 12.657 1.00 0.00 C ATOM 1322 CE2 TYR B 37 51.592 -6.105 13.525 1.00 0.00 C ATOM 1323 CZ TYR B 37 52.466 -5.032 13.745 1.00 0.00 C ATOM 1324 OH TYR B 37 52.797 -4.665 15.033 1.00 0.00 O ATOM 0 H TYR B 37 51.293 -7.181 7.487 1.00 0.00 H new ATOM 0 HA TYR B 37 53.475 -6.272 9.011 1.00 0.00 H new ATOM 0 HB2 TYR B 37 51.209 -5.296 9.131 1.00 0.00 H new ATOM 0 HB3 TYR B 37 50.551 -6.807 9.727 1.00 0.00 H new ATOM 0 HD1 TYR B 37 53.086 -4.168 10.513 1.00 0.00 H new ATOM 0 HD2 TYR B 37 50.586 -7.305 12.047 1.00 0.00 H new ATOM 0 HE1 TYR B 37 53.683 -3.510 12.826 1.00 0.00 H new ATOM 0 HE2 TYR B 37 51.175 -6.643 14.363 1.00 0.00 H new ATOM 0 HH TYR B 37 51.979 -4.511 15.550 1.00 0.00 H new ATOM 1334 N HIS B 38 52.145 -9.129 10.000 1.00 0.00 N ATOM 1335 CA HIS B 38 52.410 -10.307 10.808 1.00 0.00 C ATOM 1336 C HIS B 38 53.590 -11.115 10.281 1.00 0.00 C ATOM 1337 O HIS B 38 54.363 -11.670 11.053 1.00 0.00 O ATOM 1338 CB HIS B 38 51.196 -11.236 10.805 1.00 0.00 C ATOM 1339 CG HIS B 38 50.118 -10.657 11.678 1.00 0.00 C ATOM 1340 ND1 HIS B 38 48.932 -10.032 11.384 1.00 0.00 N flip ATOM 1341 CD2 HIS B 38 50.193 -10.695 13.062 1.00 0.00 C flip ATOM 1342 CE1 HIS B 38 48.280 -9.686 12.563 1.00 0.00 C flip ATOM 1343 NE2 HIS B 38 49.083 -10.109 13.544 1.00 0.00 N flip ATOM 0 H HIS B 38 51.274 -9.161 9.470 1.00 0.00 H new ATOM 0 HA HIS B 38 52.635 -9.944 11.811 1.00 0.00 H new ATOM 0 HB2 HIS B 38 50.825 -11.364 9.788 1.00 0.00 H new ATOM 0 HB3 HIS B 38 51.480 -12.224 11.167 1.00 0.00 H new ATOM 0 HD2 HIS B 38 50.997 -11.118 13.646 1.00 0.00 H new ATOM 0 HE1 HIS B 38 47.329 -9.184 12.664 1.00 0.00 H new ATOM 0 HE2 HIS B 38 48.879 -10.001 14.537 1.00 0.00 H new ATOM 1352 N GLN B 39 53.756 -11.134 8.965 1.00 0.00 N ATOM 1353 CA GLN B 39 54.866 -11.860 8.363 1.00 0.00 C ATOM 1354 C GLN B 39 56.195 -11.222 8.753 1.00 0.00 C ATOM 1355 O GLN B 39 57.174 -11.917 9.015 1.00 0.00 O ATOM 1356 CB GLN B 39 54.752 -11.811 6.835 1.00 0.00 C ATOM 1357 CG GLN B 39 55.815 -12.708 6.194 1.00 0.00 C ATOM 1358 CD GLN B 39 55.410 -14.173 6.316 1.00 0.00 C ATOM 1359 OE1 GLN B 39 56.238 -15.034 6.843 1.00 0.00 O flip ATOM 1360 NE2 GLN B 39 54.308 -14.547 5.912 1.00 0.00 N flip ATOM 0 H GLN B 39 53.144 -10.661 8.300 1.00 0.00 H new ATOM 0 HA GLN B 39 54.828 -12.890 8.719 1.00 0.00 H new ATOM 0 HB2 GLN B 39 53.758 -12.136 6.527 1.00 0.00 H new ATOM 0 HB3 GLN B 39 54.874 -10.785 6.487 1.00 0.00 H new ATOM 0 HG2 GLN B 39 55.939 -12.444 5.144 1.00 0.00 H new ATOM 0 HG3 GLN B 39 56.778 -12.547 6.679 1.00 0.00 H new ATOM 0 HE21 GLN B 39 53.661 -13.875 5.500 1.00 0.00 H new ATOM 0 HE22 GLN B 39 54.043 -15.529 5.989 1.00 0.00 H new ATOM 1369 N LEU B 40 56.214 -9.899 8.834 1.00 0.00 N ATOM 1370 CA LEU B 40 57.423 -9.198 9.252 1.00 0.00 C ATOM 1371 C LEU B 40 57.740 -9.463 10.720 1.00 0.00 C ATOM 1372 O LEU B 40 58.902 -9.614 11.097 1.00 0.00 O ATOM 1373 CB LEU B 40 57.252 -7.698 9.026 1.00 0.00 C ATOM 1374 CG LEU B 40 57.270 -7.407 7.521 1.00 0.00 C ATOM 1375 CD1 LEU B 40 56.863 -5.957 7.279 1.00 0.00 C ATOM 1376 CD2 LEU B 40 58.675 -7.640 6.942 1.00 0.00 C ATOM 0 H LEU B 40 55.420 -9.296 8.620 1.00 0.00 H new ATOM 0 HA LEU B 40 58.254 -9.570 8.653 1.00 0.00 H new ATOM 0 HB2 LEU B 40 56.313 -7.358 9.463 1.00 0.00 H new ATOM 0 HB3 LEU B 40 58.052 -7.150 9.524 1.00 0.00 H new ATOM 0 HG LEU B 40 56.568 -8.080 7.028 1.00 0.00 H new ATOM 0 HD11 LEU B 40 56.876 -5.749 6.209 1.00 0.00 H new ATOM 0 HD12 LEU B 40 55.859 -5.791 7.669 1.00 0.00 H new ATOM 0 HD13 LEU B 40 57.563 -5.293 7.786 1.00 0.00 H new ATOM 0 HD21 LEU B 40 58.668 -7.428 5.873 1.00 0.00 H new ATOM 0 HD22 LEU B 40 59.387 -6.980 7.438 1.00 0.00 H new ATOM 0 HD23 LEU B 40 58.968 -8.677 7.104 1.00 0.00 H new ATOM 1388 N THR B 41 56.705 -9.496 11.550 1.00 0.00 N ATOM 1389 CA THR B 41 56.891 -9.719 12.978 1.00 0.00 C ATOM 1390 C THR B 41 56.915 -11.212 13.313 1.00 0.00 C ATOM 1391 O THR B 41 57.277 -11.595 14.426 1.00 0.00 O ATOM 1392 CB THR B 41 55.760 -9.035 13.747 1.00 0.00 C ATOM 1393 OG1 THR B 41 54.529 -9.663 13.426 1.00 0.00 O ATOM 1394 CG2 THR B 41 55.698 -7.554 13.357 1.00 0.00 C ATOM 0 H THR B 41 55.734 -9.372 11.262 1.00 0.00 H new ATOM 0 HA THR B 41 57.852 -9.295 13.269 1.00 0.00 H new ATOM 0 HB THR B 41 55.944 -9.118 14.818 1.00 0.00 H new ATOM 0 HG1 THR B 41 54.640 -10.208 12.619 1.00 0.00 H new ATOM 0 HG21 THR B 41 54.892 -7.067 13.905 1.00 0.00 H new ATOM 0 HG22 THR B 41 56.645 -7.073 13.602 1.00 0.00 H new ATOM 0 HG23 THR B 41 55.513 -7.467 12.286 1.00 0.00 H new ATOM 1402 N GLU B 42 56.531 -12.051 12.350 1.00 0.00 N ATOM 1403 CA GLU B 42 56.441 -13.494 12.596 1.00 0.00 C ATOM 1404 C GLU B 42 57.517 -14.188 11.769 1.00 0.00 C ATOM 1405 O GLU B 42 58.381 -14.879 12.310 1.00 0.00 O ATOM 1406 CB GLU B 42 55.069 -14.064 12.222 1.00 0.00 C ATOM 1407 CG GLU B 42 53.998 -13.463 13.136 1.00 0.00 C ATOM 1408 CD GLU B 42 54.140 -14.041 14.538 1.00 0.00 C ATOM 1409 OE1 GLU B 42 54.860 -15.014 14.686 1.00 0.00 O ATOM 1410 OE2 GLU B 42 53.525 -13.503 15.444 1.00 0.00 O ATOM 0 H GLU B 42 56.280 -11.763 11.404 1.00 0.00 H new ATOM 0 HA GLU B 42 56.584 -13.669 13.662 1.00 0.00 H new ATOM 0 HB2 GLU B 42 54.841 -13.838 11.180 1.00 0.00 H new ATOM 0 HB3 GLU B 42 55.076 -15.150 12.318 1.00 0.00 H new ATOM 0 HG2 GLU B 42 54.099 -12.378 13.167 1.00 0.00 H new ATOM 0 HG3 GLU B 42 53.005 -13.680 12.741 1.00 0.00 H new ATOM 1417 N GLY B 43 57.461 -14.000 10.457 1.00 0.00 N ATOM 1418 CA GLY B 43 58.565 -14.454 9.598 1.00 0.00 C ATOM 1419 C GLY B 43 58.073 -15.789 9.057 1.00 0.00 C ATOM 1420 O GLY B 43 56.883 -16.103 9.139 1.00 0.00 O ATOM 0 H GLY B 43 56.688 -13.549 9.967 1.00 0.00 H new ATOM 0 HA2 GLY B 43 58.765 -13.745 8.794 1.00 0.00 H new ATOM 0 HA3 GLY B 43 59.491 -14.567 10.162 1.00 0.00 H new ATOM 1424 N CYS B 44 58.990 -16.574 8.502 1.00 0.00 N ATOM 1425 CA CYS B 44 58.624 -17.873 7.952 1.00 0.00 C ATOM 1426 C CYS B 44 58.937 -18.988 8.942 1.00 0.00 C ATOM 1427 O CYS B 44 58.472 -20.118 8.785 1.00 0.00 O ATOM 1428 CB CYS B 44 59.368 -18.113 6.634 1.00 0.00 C ATOM 1429 SG CYS B 44 61.158 -17.996 6.898 1.00 0.00 S ATOM 0 H CYS B 44 59.979 -16.338 8.422 1.00 0.00 H new ATOM 0 HA CYS B 44 57.551 -17.876 7.762 1.00 0.00 H new ATOM 0 HB2 CYS B 44 59.115 -19.097 6.238 1.00 0.00 H new ATOM 0 HB3 CYS B 44 59.054 -17.380 5.891 1.00 0.00 H new ATOM 0 HG CYS B 44 61.777 -18.203 5.774 1.00 0.00 H new ATOM 1434 N GLY B 45 59.709 -18.663 9.973 1.00 0.00 N ATOM 1435 CA GLY B 45 60.051 -19.647 10.992 1.00 0.00 C ATOM 1436 C GLY B 45 61.290 -20.437 10.592 1.00 0.00 C ATOM 1437 O GLY B 45 61.921 -21.085 11.426 1.00 0.00 O ATOM 0 H GLY B 45 60.106 -17.736 10.124 1.00 0.00 H new ATOM 0 HA2 GLY B 45 60.227 -19.145 11.943 1.00 0.00 H new ATOM 0 HA3 GLY B 45 59.213 -20.328 11.141 1.00 0.00 H new ATOM 1441 N ASN B 46 61.625 -20.386 9.307 1.00 0.00 N ATOM 1442 CA ASN B 46 62.783 -21.113 8.805 1.00 0.00 C ATOM 1443 C ASN B 46 64.073 -20.449 9.272 1.00 0.00 C ATOM 1444 O ASN B 46 64.253 -19.242 9.116 1.00 0.00 O ATOM 1445 CB ASN B 46 62.752 -21.148 7.275 1.00 0.00 C ATOM 1446 CG ASN B 46 61.455 -21.789 6.793 1.00 0.00 C ATOM 1447 OD1 ASN B 46 60.697 -21.170 6.046 1.00 0.00 O ATOM 1448 ND2 ASN B 46 61.148 -22.998 7.180 1.00 0.00 N ATOM 0 H ASN B 46 61.116 -19.854 8.601 1.00 0.00 H new ATOM 0 HA ASN B 46 62.748 -22.131 9.194 1.00 0.00 H new ATOM 0 HB2 ASN B 46 62.836 -20.136 6.878 1.00 0.00 H new ATOM 0 HB3 ASN B 46 63.607 -21.710 6.899 1.00 0.00 H new ATOM 0 HD21 ASN B 46 60.280 -23.430 6.863 1.00 0.00 H new ATOM 0 HD22 ASN B 46 61.776 -23.510 7.799 1.00 0.00 H new ATOM 1455 N GLU B 47 64.966 -21.248 9.842 1.00 0.00 N ATOM 1456 CA GLU B 47 66.238 -20.730 10.328 1.00 0.00 C ATOM 1457 C GLU B 47 67.070 -20.186 9.173 1.00 0.00 C ATOM 1458 O GLU B 47 67.719 -19.147 9.297 1.00 0.00 O ATOM 1459 CB GLU B 47 67.014 -21.837 11.044 1.00 0.00 C ATOM 1460 CG GLU B 47 66.315 -22.182 12.359 1.00 0.00 C ATOM 1461 CD GLU B 47 66.992 -23.383 13.009 1.00 0.00 C ATOM 1462 OE1 GLU B 47 67.828 -23.990 12.360 1.00 0.00 O ATOM 1463 OE2 GLU B 47 66.662 -23.683 14.144 1.00 0.00 O ATOM 0 H GLU B 47 64.835 -22.250 9.978 1.00 0.00 H new ATOM 0 HA GLU B 47 66.036 -19.919 11.028 1.00 0.00 H new ATOM 0 HB2 GLU B 47 67.075 -22.721 10.410 1.00 0.00 H new ATOM 0 HB3 GLU B 47 68.036 -21.512 11.238 1.00 0.00 H new ATOM 0 HG2 GLU B 47 66.348 -21.326 13.033 1.00 0.00 H new ATOM 0 HG3 GLU B 47 65.264 -22.402 12.175 1.00 0.00 H new ATOM 1470 N ALA B 48 67.041 -20.895 8.048 1.00 0.00 N ATOM 1471 CA ALA B 48 67.792 -20.476 6.870 1.00 0.00 C ATOM 1472 C ALA B 48 66.846 -19.942 5.800 1.00 0.00 C ATOM 1473 O ALA B 48 66.133 -20.708 5.150 1.00 0.00 O ATOM 1474 CB ALA B 48 68.584 -21.660 6.310 1.00 0.00 C ATOM 0 H ALA B 48 66.509 -21.757 7.928 1.00 0.00 H new ATOM 0 HA ALA B 48 68.481 -19.683 7.160 1.00 0.00 H new ATOM 0 HB1 ALA B 48 69.143 -21.341 5.430 1.00 0.00 H new ATOM 0 HB2 ALA B 48 69.278 -22.025 7.068 1.00 0.00 H new ATOM 0 HB3 ALA B 48 67.896 -22.459 6.033 1.00 0.00 H new ATOM 1480 N CYS B 49 66.850 -18.627 5.620 1.00 0.00 N ATOM 1481 CA CYS B 49 65.990 -17.998 4.624 1.00 0.00 C ATOM 1482 C CYS B 49 66.763 -16.922 3.866 1.00 0.00 C ATOM 1483 O CYS B 49 67.340 -16.019 4.473 1.00 0.00 O ATOM 1484 CB CYS B 49 64.768 -17.378 5.308 1.00 0.00 C ATOM 1485 SG CYS B 49 63.669 -16.672 4.060 1.00 0.00 S ATOM 0 H CYS B 49 67.435 -17.978 6.147 1.00 0.00 H new ATOM 0 HA CYS B 49 65.657 -18.757 3.916 1.00 0.00 H new ATOM 0 HB2 CYS B 49 64.239 -18.135 5.886 1.00 0.00 H new ATOM 0 HB3 CYS B 49 65.084 -16.605 6.008 1.00 0.00 H new ATOM 0 HG CYS B 49 63.725 -15.374 4.116 1.00 0.00 H new ATOM 1490 N THR B 50 66.771 -17.029 2.540 1.00 0.00 N ATOM 1491 CA THR B 50 67.481 -16.065 1.703 1.00 0.00 C ATOM 1492 C THR B 50 66.498 -15.256 0.865 1.00 0.00 C ATOM 1493 O THR B 50 66.377 -15.466 -0.343 1.00 0.00 O ATOM 1494 CB THR B 50 68.459 -16.796 0.779 1.00 0.00 C ATOM 1495 OG1 THR B 50 69.115 -15.849 -0.054 1.00 0.00 O ATOM 1496 CG2 THR B 50 67.699 -17.800 -0.091 1.00 0.00 C ATOM 0 H THR B 50 66.296 -17.770 2.024 1.00 0.00 H new ATOM 0 HA THR B 50 68.032 -15.386 2.353 1.00 0.00 H new ATOM 0 HB THR B 50 69.195 -17.329 1.381 1.00 0.00 H new ATOM 0 HG1 THR B 50 69.743 -16.314 -0.646 1.00 0.00 H new ATOM 0 HG21 THR B 50 68.400 -18.317 -0.746 1.00 0.00 H new ATOM 0 HG22 THR B 50 67.195 -18.526 0.547 1.00 0.00 H new ATOM 0 HG23 THR B 50 66.960 -17.273 -0.694 1.00 0.00 H new ATOM 1504 N ASN B 51 65.804 -14.327 1.511 1.00 0.00 N ATOM 1505 CA ASN B 51 64.838 -13.486 0.815 1.00 0.00 C ATOM 1506 C ASN B 51 64.797 -12.098 1.447 1.00 0.00 C ATOM 1507 O ASN B 51 64.620 -11.962 2.657 1.00 0.00 O ATOM 1508 CB ASN B 51 63.448 -14.122 0.868 1.00 0.00 C ATOM 1509 CG ASN B 51 62.518 -13.423 -0.115 1.00 0.00 C ATOM 1510 OD1 ASN B 51 61.308 -13.106 0.257 1.00 0.00 O flip ATOM 1511 ND2 ASN B 51 62.905 -13.151 -1.251 1.00 0.00 N flip ATOM 0 H ASN B 51 65.891 -14.137 2.509 1.00 0.00 H new ATOM 0 HA ASN B 51 65.145 -13.393 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN B 51 63.515 -15.183 0.627 1.00 0.00 H new ATOM 0 HB3 ASN B 51 63.044 -14.050 1.878 1.00 0.00 H new ATOM 0 HD21 ASN B 51 63.851 -13.399 -1.541 1.00 0.00 H new ATOM 0 HD22 ASN B 51 62.280 -12.677 -1.903 1.00 0.00 H new ATOM 1518 N GLU B 52 64.971 -11.071 0.622 1.00 0.00 N ATOM 1519 CA GLU B 52 64.958 -9.698 1.111 1.00 0.00 C ATOM 1520 C GLU B 52 63.605 -9.355 1.723 1.00 0.00 C ATOM 1521 O GLU B 52 63.531 -8.664 2.740 1.00 0.00 O ATOM 1522 CB GLU B 52 65.257 -8.735 -0.039 1.00 0.00 C ATOM 1523 CG GLU B 52 66.719 -8.885 -0.462 1.00 0.00 C ATOM 1524 CD GLU B 52 66.979 -8.079 -1.730 1.00 0.00 C ATOM 1525 OE1 GLU B 52 66.016 -7.625 -2.328 1.00 0.00 O ATOM 1526 OE2 GLU B 52 68.135 -7.930 -2.087 1.00 0.00 O ATOM 0 H GLU B 52 65.122 -11.163 -0.383 1.00 0.00 H new ATOM 0 HA GLU B 52 65.724 -9.600 1.880 1.00 0.00 H new ATOM 0 HB2 GLU B 52 64.600 -8.944 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU B 52 65.060 -7.709 0.271 1.00 0.00 H new ATOM 0 HG2 GLU B 52 67.375 -8.542 0.338 1.00 0.00 H new ATOM 0 HG3 GLU B 52 66.950 -9.936 -0.635 1.00 0.00 H new ATOM 1533 N PHE B 53 62.536 -9.835 1.096 1.00 0.00 N ATOM 1534 CA PHE B 53 61.191 -9.561 1.588 1.00 0.00 C ATOM 1535 C PHE B 53 60.708 -10.686 2.501 1.00 0.00 C ATOM 1536 O PHE B 53 59.710 -11.355 2.211 1.00 0.00 O ATOM 1537 CB PHE B 53 60.226 -9.408 0.410 1.00 0.00 C ATOM 1538 CG PHE B 53 60.726 -8.320 -0.512 1.00 0.00 C ATOM 1539 CD1 PHE B 53 61.331 -8.661 -1.728 1.00 0.00 C ATOM 1540 CD2 PHE B 53 60.587 -6.974 -0.152 1.00 0.00 C ATOM 1541 CE1 PHE B 53 61.797 -7.656 -2.584 1.00 0.00 C ATOM 1542 CE2 PHE B 53 61.053 -5.969 -1.009 1.00 0.00 C ATOM 1543 CZ PHE B 53 61.658 -6.310 -2.225 1.00 0.00 C ATOM 0 H PHE B 53 62.573 -10.410 0.254 1.00 0.00 H new ATOM 0 HA PHE B 53 61.218 -8.634 2.161 1.00 0.00 H new ATOM 0 HB2 PHE B 53 60.145 -10.350 -0.132 1.00 0.00 H new ATOM 0 HB3 PHE B 53 59.228 -9.162 0.773 1.00 0.00 H new ATOM 0 HD1 PHE B 53 61.438 -9.699 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE B 53 60.121 -6.711 0.786 1.00 0.00 H new ATOM 0 HE1 PHE B 53 62.264 -7.919 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE B 53 60.946 -4.931 -0.732 1.00 0.00 H new ATOM 0 HZ PHE B 53 62.017 -5.535 -2.886 1.00 0.00 H new ATOM 1553 N CYS B 54 61.421 -10.893 3.603 1.00 0.00 N ATOM 1554 CA CYS B 54 61.050 -11.937 4.550 1.00 0.00 C ATOM 1555 C CYS B 54 61.733 -11.714 5.893 1.00 0.00 C ATOM 1556 O CYS B 54 62.896 -11.313 5.951 1.00 0.00 O ATOM 1557 CB CYS B 54 61.438 -13.306 4.005 1.00 0.00 C ATOM 1558 SG CYS B 54 60.715 -14.590 5.051 1.00 0.00 S ATOM 0 H CYS B 54 62.250 -10.358 3.860 1.00 0.00 H new ATOM 0 HA CYS B 54 59.970 -11.897 4.692 1.00 0.00 H new ATOM 0 HB2 CYS B 54 61.086 -13.415 2.979 1.00 0.00 H new ATOM 0 HB3 CYS B 54 62.523 -13.407 3.982 1.00 0.00 H new ATOM 0 HG CYS B 54 61.473 -15.646 5.029 1.00 0.00 H new ATOM 1563 N ALA B 55 61.005 -11.977 6.972 1.00 0.00 N ATOM 1564 CA ALA B 55 61.549 -11.803 8.310 1.00 0.00 C ATOM 1565 C ALA B 55 62.320 -13.040 8.749 1.00 0.00 C ATOM 1566 O ALA B 55 62.245 -14.094 8.116 1.00 0.00 O ATOM 1567 CB ALA B 55 60.428 -11.514 9.304 1.00 0.00 C ATOM 0 H ALA B 55 60.041 -12.310 6.945 1.00 0.00 H new ATOM 0 HA ALA B 55 62.235 -10.956 8.287 1.00 0.00 H new ATOM 0 HB1 ALA B 55 60.850 -11.386 10.301 1.00 0.00 H new ATOM 0 HB2 ALA B 55 59.907 -10.602 9.010 1.00 0.00 H new ATOM 0 HB3 ALA B 55 59.725 -12.347 9.312 1.00 0.00 H new ATOM 1573 N SER B 56 63.066 -12.898 9.836 1.00 0.00 N ATOM 1574 CA SER B 56 63.872 -13.980 10.374 1.00 0.00 C ATOM 1575 C SER B 56 65.103 -14.196 9.509 1.00 0.00 C ATOM 1576 O SER B 56 65.953 -15.025 9.822 1.00 0.00 O ATOM 1577 CB SER B 56 63.058 -15.272 10.420 1.00 0.00 C ATOM 1578 OG SER B 56 63.455 -16.038 11.547 1.00 0.00 O ATOM 0 H SER B 56 63.128 -12.030 10.368 1.00 0.00 H new ATOM 0 HA SER B 56 64.181 -13.710 11.384 1.00 0.00 H new ATOM 0 HB2 SER B 56 61.994 -15.043 10.478 1.00 0.00 H new ATOM 0 HB3 SER B 56 63.211 -15.844 9.505 1.00 0.00 H new ATOM 0 HG SER B 56 62.933 -16.867 11.580 1.00 0.00 H new ATOM 1584 N CYS B 57 65.195 -13.456 8.413 1.00 0.00 N ATOM 1585 CA CYS B 57 66.338 -13.607 7.527 1.00 0.00 C ATOM 1586 C CYS B 57 67.594 -12.968 8.133 1.00 0.00 C ATOM 1587 O CYS B 57 67.491 -11.984 8.866 1.00 0.00 O ATOM 1588 CB CYS B 57 66.042 -12.975 6.170 1.00 0.00 C ATOM 1589 SG CYS B 57 64.748 -13.930 5.344 1.00 0.00 S ATOM 0 H CYS B 57 64.508 -12.760 8.121 1.00 0.00 H new ATOM 0 HA CYS B 57 66.522 -14.673 7.396 1.00 0.00 H new ATOM 0 HB2 CYS B 57 65.723 -11.941 6.298 1.00 0.00 H new ATOM 0 HB3 CYS B 57 66.944 -12.956 5.559 1.00 0.00 H new ATOM 0 HG CYS B 57 65.248 -15.044 4.898 1.00 0.00 H new ATOM 1595 N PRO B 58 68.776 -13.482 7.837 1.00 0.00 N ATOM 1596 CA PRO B 58 70.053 -12.902 8.367 1.00 0.00 C ATOM 1597 C PRO B 58 70.154 -11.393 8.130 1.00 0.00 C ATOM 1598 O PRO B 58 70.681 -10.658 8.965 1.00 0.00 O ATOM 1599 CB PRO B 58 71.138 -13.620 7.561 1.00 0.00 C ATOM 1600 CG PRO B 58 70.538 -14.920 7.156 1.00 0.00 C ATOM 1601 CD PRO B 58 69.038 -14.673 6.990 1.00 0.00 C ATOM 0 HA PRO B 58 70.133 -13.037 9.446 1.00 0.00 H new ATOM 0 HB2 PRO B 58 71.431 -13.035 6.689 1.00 0.00 H new ATOM 0 HB3 PRO B 58 72.036 -13.772 8.160 1.00 0.00 H new ATOM 0 HG2 PRO B 58 70.978 -15.277 6.225 1.00 0.00 H new ATOM 0 HG3 PRO B 58 70.724 -15.685 7.910 1.00 0.00 H new ATOM 0 HD2 PRO B 58 68.777 -14.488 5.948 1.00 0.00 H new ATOM 0 HD3 PRO B 58 68.453 -15.532 7.317 1.00 0.00 H new ATOM 1609 N THR B 59 69.659 -10.938 6.980 1.00 0.00 N ATOM 1610 CA THR B 59 69.712 -9.517 6.640 1.00 0.00 C ATOM 1611 C THR B 59 68.540 -8.764 7.262 1.00 0.00 C ATOM 1612 O THR B 59 68.505 -7.533 7.251 1.00 0.00 O ATOM 1613 CB THR B 59 69.675 -9.344 5.119 1.00 0.00 C ATOM 1614 OG1 THR B 59 68.437 -9.830 4.621 1.00 0.00 O ATOM 1615 CG2 THR B 59 70.824 -10.129 4.486 1.00 0.00 C ATOM 0 H THR B 59 69.220 -11.527 6.273 1.00 0.00 H new ATOM 0 HA THR B 59 70.641 -9.107 7.036 1.00 0.00 H new ATOM 0 HB THR B 59 69.780 -8.288 4.870 1.00 0.00 H new ATOM 0 HG1 THR B 59 68.410 -9.719 3.648 1.00 0.00 H new ATOM 0 HG21 THR B 59 70.796 -10.005 3.403 1.00 0.00 H new ATOM 0 HG22 THR B 59 71.774 -9.757 4.870 1.00 0.00 H new ATOM 0 HG23 THR B 59 70.722 -11.186 4.733 1.00 0.00 H new ATOM 1623 N PHE B 60 67.583 -9.510 7.800 1.00 0.00 N ATOM 1624 CA PHE B 60 66.408 -8.906 8.422 1.00 0.00 C ATOM 1625 C PHE B 60 66.592 -8.801 9.932 1.00 0.00 C ATOM 1626 O PHE B 60 66.916 -9.787 10.594 1.00 0.00 O ATOM 1627 CB PHE B 60 65.168 -9.747 8.128 1.00 0.00 C ATOM 1628 CG PHE B 60 63.952 -9.071 8.711 1.00 0.00 C ATOM 1629 CD1 PHE B 60 63.201 -8.186 7.927 1.00 0.00 C ATOM 1630 CD2 PHE B 60 63.574 -9.327 10.035 1.00 0.00 C ATOM 1631 CE1 PHE B 60 62.072 -7.561 8.465 1.00 0.00 C ATOM 1632 CE2 PHE B 60 62.443 -8.699 10.572 1.00 0.00 C ATOM 1633 CZ PHE B 60 61.692 -7.817 9.788 1.00 0.00 C ATOM 0 H PHE B 60 67.596 -10.530 7.819 1.00 0.00 H new ATOM 0 HA PHE B 60 66.282 -7.906 8.007 1.00 0.00 H new ATOM 0 HB2 PHE B 60 65.047 -9.872 7.052 1.00 0.00 H new ATOM 0 HB3 PHE B 60 65.282 -10.744 8.554 1.00 0.00 H new ATOM 0 HD1 PHE B 60 63.494 -7.986 6.907 1.00 0.00 H new ATOM 0 HD2 PHE B 60 64.154 -10.008 10.641 1.00 0.00 H new ATOM 0 HE1 PHE B 60 61.492 -6.880 7.859 1.00 0.00 H new ATOM 0 HE2 PHE B 60 62.150 -8.896 11.593 1.00 0.00 H new ATOM 0 HZ PHE B 60 60.820 -7.334 10.203 1.00 0.00 H new ATOM 1643 N LEU B 61 66.381 -7.602 10.465 1.00 0.00 N ATOM 1644 CA LEU B 61 66.522 -7.373 11.898 1.00 0.00 C ATOM 1645 C LEU B 61 65.173 -7.007 12.511 1.00 0.00 C ATOM 1646 O LEU B 61 64.347 -6.351 11.874 1.00 0.00 O ATOM 1647 CB LEU B 61 67.527 -6.246 12.150 1.00 0.00 C ATOM 1648 CG LEU B 61 68.871 -6.597 11.503 1.00 0.00 C ATOM 1649 CD1 LEU B 61 69.863 -5.454 11.729 1.00 0.00 C ATOM 1650 CD2 LEU B 61 69.431 -7.882 12.125 1.00 0.00 C ATOM 0 H LEU B 61 66.113 -6.777 9.928 1.00 0.00 H new ATOM 0 HA LEU B 61 66.885 -8.289 12.364 1.00 0.00 H new ATOM 0 HB2 LEU B 61 67.148 -5.310 11.739 1.00 0.00 H new ATOM 0 HB3 LEU B 61 67.657 -6.095 13.222 1.00 0.00 H new ATOM 0 HG LEU B 61 68.722 -6.748 10.434 1.00 0.00 H new ATOM 0 HD11 LEU B 61 70.818 -5.705 11.268 1.00 0.00 H new ATOM 0 HD12 LEU B 61 69.473 -4.540 11.281 1.00 0.00 H new ATOM 0 HD13 LEU B 61 70.005 -5.302 12.799 1.00 0.00 H new ATOM 0 HD21 LEU B 61 70.386 -8.125 11.660 1.00 0.00 H new ATOM 0 HD22 LEU B 61 69.575 -7.735 13.195 1.00 0.00 H new ATOM 0 HD23 LEU B 61 68.730 -8.701 11.962 1.00 0.00 H new ATOM 1662 N ARG B 62 64.957 -7.437 13.748 1.00 0.00 N ATOM 1663 CA ARG B 62 63.707 -7.156 14.438 1.00 0.00 C ATOM 1664 C ARG B 62 63.471 -5.654 14.517 1.00 0.00 C ATOM 1665 O ARG B 62 64.413 -4.866 14.613 1.00 0.00 O ATOM 1666 CB ARG B 62 63.748 -7.744 15.851 1.00 0.00 C ATOM 1667 CG ARG B 62 63.348 -9.222 15.818 1.00 0.00 C ATOM 1668 CD ARG B 62 64.361 -10.009 14.988 1.00 0.00 C ATOM 1669 NE ARG B 62 64.179 -11.441 15.193 1.00 0.00 N ATOM 1670 CZ ARG B 62 64.749 -12.064 16.220 1.00 0.00 C ATOM 1671 NH1 ARG B 62 65.486 -11.394 17.063 1.00 0.00 N ATOM 1672 NH2 ARG B 62 64.571 -13.347 16.386 1.00 0.00 N ATOM 0 H ARG B 62 65.629 -7.979 14.291 1.00 0.00 H new ATOM 0 HA ARG B 62 62.891 -7.613 13.879 1.00 0.00 H new ATOM 0 HB2 ARG B 62 64.750 -7.640 16.268 1.00 0.00 H new ATOM 0 HB3 ARG B 62 63.072 -7.191 16.503 1.00 0.00 H new ATOM 0 HG2 ARG B 62 63.306 -9.620 16.832 1.00 0.00 H new ATOM 0 HG3 ARG B 62 62.351 -9.330 15.391 1.00 0.00 H new ATOM 0 HD2 ARG B 62 64.242 -9.768 13.932 1.00 0.00 H new ATOM 0 HD3 ARG B 62 65.374 -9.720 15.268 1.00 0.00 H new ATOM 0 HE ARG B 62 63.606 -11.973 14.538 1.00 0.00 H new ATOM 0 HH11 ARG B 62 65.625 -10.392 16.934 1.00 0.00 H new ATOM 0 HH12 ARG B 62 65.923 -11.873 17.851 1.00 0.00 H new ATOM 0 HH21 ARG B 62 63.995 -13.871 15.728 1.00 0.00 H new ATOM 0 HH22 ARG B 62 65.008 -13.825 17.174 1.00 0.00 H new ATOM 1686 N MET B 63 62.204 -5.269 14.467 1.00 0.00 N ATOM 1687 CA MET B 63 61.831 -3.862 14.522 1.00 0.00 C ATOM 1688 C MET B 63 60.588 -3.665 15.386 1.00 0.00 C ATOM 1689 O MET B 63 59.909 -4.627 15.746 1.00 0.00 O ATOM 1690 CB MET B 63 61.571 -3.333 13.107 1.00 0.00 C ATOM 1691 CG MET B 63 60.255 -3.902 12.570 1.00 0.00 C ATOM 1692 SD MET B 63 60.528 -5.593 11.984 1.00 0.00 S ATOM 1693 CE MET B 63 59.245 -6.386 12.986 1.00 0.00 C ATOM 0 H MET B 63 61.416 -5.912 14.388 1.00 0.00 H new ATOM 0 HA MET B 63 62.655 -3.305 14.969 1.00 0.00 H new ATOM 0 HB2 MET B 63 61.528 -2.244 13.119 1.00 0.00 H new ATOM 0 HB3 MET B 63 62.393 -3.612 12.448 1.00 0.00 H new ATOM 0 HG2 MET B 63 59.496 -3.894 13.352 1.00 0.00 H new ATOM 0 HG3 MET B 63 59.881 -3.279 11.757 1.00 0.00 H new ATOM 0 HE1 MET B 63 59.649 -7.287 13.448 1.00 0.00 H new ATOM 0 HE2 MET B 63 58.913 -5.698 13.763 1.00 0.00 H new ATOM 0 HE3 MET B 63 58.400 -6.651 12.351 1.00 0.00 H new ATOM 1703 N ASP B 64 60.301 -2.410 15.709 1.00 0.00 N ATOM 1704 CA ASP B 64 59.144 -2.076 16.524 1.00 0.00 C ATOM 1705 C ASP B 64 57.879 -2.373 15.726 1.00 0.00 C ATOM 1706 O ASP B 64 57.907 -2.438 14.499 1.00 0.00 O ATOM 1707 CB ASP B 64 59.235 -0.626 17.009 1.00 0.00 C ATOM 1708 CG ASP B 64 60.314 -0.498 18.081 1.00 0.00 C ATOM 1709 OD1 ASP B 64 60.752 -1.522 18.580 1.00 0.00 O ATOM 1710 OD2 ASP B 64 60.686 0.623 18.388 1.00 0.00 O ATOM 0 H ASP B 64 60.857 -1.606 15.417 1.00 0.00 H new ATOM 0 HA ASP B 64 59.114 -2.689 17.425 1.00 0.00 H new ATOM 0 HB2 ASP B 64 59.464 0.032 16.171 1.00 0.00 H new ATOM 0 HB3 ASP B 64 58.273 -0.308 17.411 1.00 0.00 H new ATOM 1715 N ASN B 65 56.769 -2.488 16.435 1.00 0.00 N ATOM 1716 CA ASN B 65 55.480 -2.701 15.795 1.00 0.00 C ATOM 1717 C ASN B 65 55.148 -1.545 14.860 1.00 0.00 C ATOM 1718 O ASN B 65 54.542 -1.739 13.808 1.00 0.00 O ATOM 1719 CB ASN B 65 54.391 -2.838 16.864 1.00 0.00 C ATOM 1720 CG ASN B 65 54.576 -1.775 17.944 1.00 0.00 C ATOM 1721 OD1 ASN B 65 54.699 -0.589 17.636 1.00 0.00 O ATOM 1722 ND2 ASN B 65 54.606 -2.133 19.201 1.00 0.00 N ATOM 0 H ASN B 65 56.733 -2.438 17.453 1.00 0.00 H new ATOM 0 HA ASN B 65 55.528 -3.617 15.207 1.00 0.00 H new ATOM 0 HB2 ASN B 65 53.407 -2.735 16.407 1.00 0.00 H new ATOM 0 HB3 ASN B 65 54.432 -3.832 17.310 1.00 0.00 H new ATOM 0 HD21 ASN B 65 54.731 -1.429 19.929 1.00 0.00 H new ATOM 0 HD22 ASN B 65 54.504 -3.116 19.454 1.00 0.00 H new ATOM 1729 N ASN B 66 55.564 -0.346 15.243 1.00 0.00 N ATOM 1730 CA ASN B 66 55.318 0.830 14.424 1.00 0.00 C ATOM 1731 C ASN B 66 56.169 0.779 13.160 1.00 0.00 C ATOM 1732 O ASN B 66 55.680 1.006 12.049 1.00 0.00 O ATOM 1733 CB ASN B 66 55.638 2.095 15.229 1.00 0.00 C ATOM 1734 CG ASN B 66 56.964 1.935 15.972 1.00 0.00 C ATOM 1735 OD1 ASN B 66 58.030 1.944 15.355 1.00 0.00 O ATOM 1736 ND2 ASN B 66 56.962 1.786 17.270 1.00 0.00 N ATOM 0 H ASN B 66 56.070 -0.164 16.110 1.00 0.00 H new ATOM 0 HA ASN B 66 54.268 0.849 14.133 1.00 0.00 H new ATOM 0 HB2 ASN B 66 55.690 2.955 14.561 1.00 0.00 H new ATOM 0 HB3 ASN B 66 54.837 2.293 15.941 1.00 0.00 H new ATOM 0 HD21 ASN B 66 57.843 1.677 17.772 1.00 0.00 H new ATOM 0 HD22 ASN B 66 56.079 1.779 17.781 1.00 0.00 H new ATOM 1743 N ALA B 67 57.443 0.460 13.333 1.00 0.00 N ATOM 1744 CA ALA B 67 58.351 0.368 12.200 1.00 0.00 C ATOM 1745 C ALA B 67 57.911 -0.752 11.269 1.00 0.00 C ATOM 1746 O ALA B 67 57.955 -0.615 10.046 1.00 0.00 O ATOM 1747 CB ALA B 67 59.778 0.114 12.685 1.00 0.00 C ATOM 0 H ALA B 67 57.869 0.262 14.239 1.00 0.00 H new ATOM 0 HA ALA B 67 58.328 1.312 11.655 1.00 0.00 H new ATOM 0 HB1 ALA B 67 60.447 0.047 11.827 1.00 0.00 H new ATOM 0 HB2 ALA B 67 60.095 0.934 13.329 1.00 0.00 H new ATOM 0 HB3 ALA B 67 59.811 -0.821 13.245 1.00 0.00 H new ATOM 1753 N ALA B 68 57.478 -1.860 11.859 1.00 0.00 N ATOM 1754 CA ALA B 68 57.024 -2.994 11.075 1.00 0.00 C ATOM 1755 C ALA B 68 55.814 -2.601 10.231 1.00 0.00 C ATOM 1756 O ALA B 68 55.687 -3.018 9.081 1.00 0.00 O ATOM 1757 CB ALA B 68 56.668 -4.148 12.013 1.00 0.00 C ATOM 0 H ALA B 68 57.433 -1.994 12.869 1.00 0.00 H new ATOM 0 HA ALA B 68 57.821 -3.312 10.403 1.00 0.00 H new ATOM 0 HB1 ALA B 68 56.327 -5.001 11.427 1.00 0.00 H new ATOM 0 HB2 ALA B 68 57.548 -4.433 12.590 1.00 0.00 H new ATOM 0 HB3 ALA B 68 55.875 -3.834 12.692 1.00 0.00 H new ATOM 1763 N ALA B 69 54.928 -1.796 10.811 1.00 0.00 N ATOM 1764 CA ALA B 69 53.734 -1.360 10.096 1.00 0.00 C ATOM 1765 C ALA B 69 54.107 -0.586 8.835 1.00 0.00 C ATOM 1766 O ALA B 69 53.485 -0.753 7.785 1.00 0.00 O ATOM 1767 CB ALA B 69 52.882 -0.471 11.004 1.00 0.00 C ATOM 0 H ALA B 69 55.012 -1.437 11.762 1.00 0.00 H new ATOM 0 HA ALA B 69 53.167 -2.245 9.808 1.00 0.00 H new ATOM 0 HB1 ALA B 69 51.991 -0.148 10.465 1.00 0.00 H new ATOM 0 HB2 ALA B 69 52.586 -1.033 11.890 1.00 0.00 H new ATOM 0 HB3 ALA B 69 53.461 0.402 11.305 1.00 0.00 H new ATOM 1773 N ILE B 70 55.120 0.263 8.944 1.00 0.00 N ATOM 1774 CA ILE B 70 55.560 1.059 7.802 1.00 0.00 C ATOM 1775 C ILE B 70 56.083 0.154 6.694 1.00 0.00 C ATOM 1776 O ILE B 70 55.748 0.333 5.522 1.00 0.00 O ATOM 1777 CB ILE B 70 56.667 2.027 8.237 1.00 0.00 C ATOM 1778 CG1 ILE B 70 56.134 2.983 9.315 1.00 0.00 C ATOM 1779 CG2 ILE B 70 57.177 2.827 7.031 1.00 0.00 C ATOM 1780 CD1 ILE B 70 54.898 3.740 8.814 1.00 0.00 C ATOM 0 H ILE B 70 55.649 0.419 9.802 1.00 0.00 H new ATOM 0 HA ILE B 70 54.709 1.625 7.425 1.00 0.00 H new ATOM 0 HB ILE B 70 57.495 1.451 8.651 1.00 0.00 H new ATOM 0 HG12 ILE B 70 55.881 2.420 10.213 1.00 0.00 H new ATOM 0 HG13 ILE B 70 56.912 3.694 9.593 1.00 0.00 H new ATOM 0 HG21 ILE B 70 57.962 3.510 7.354 1.00 0.00 H new ATOM 0 HG22 ILE B 70 57.576 2.142 6.283 1.00 0.00 H new ATOM 0 HG23 ILE B 70 56.355 3.397 6.599 1.00 0.00 H new ATOM 0 HD11 ILE B 70 54.540 4.410 9.596 1.00 0.00 H new ATOM 0 HD12 ILE B 70 55.161 4.321 7.930 1.00 0.00 H new ATOM 0 HD13 ILE B 70 54.113 3.028 8.560 1.00 0.00 H new ATOM 1792 N LYS B 71 56.901 -0.817 7.068 1.00 0.00 N ATOM 1793 CA LYS B 71 57.451 -1.739 6.087 1.00 0.00 C ATOM 1794 C LYS B 71 56.329 -2.533 5.436 1.00 0.00 C ATOM 1795 O LYS B 71 56.340 -2.776 4.230 1.00 0.00 O ATOM 1796 CB LYS B 71 58.442 -2.690 6.752 1.00 0.00 C ATOM 1797 CG LYS B 71 59.720 -1.924 7.109 1.00 0.00 C ATOM 1798 CD LYS B 71 60.694 -1.944 5.924 1.00 0.00 C ATOM 1799 CE LYS B 71 61.543 -3.219 5.970 1.00 0.00 C ATOM 1800 NZ LYS B 71 62.494 -3.220 4.823 1.00 0.00 N ATOM 0 H LYS B 71 57.196 -0.986 8.030 1.00 0.00 H new ATOM 0 HA LYS B 71 57.974 -1.166 5.322 1.00 0.00 H new ATOM 0 HB2 LYS B 71 58.001 -3.123 7.650 1.00 0.00 H new ATOM 0 HB3 LYS B 71 58.676 -3.517 6.081 1.00 0.00 H new ATOM 0 HG2 LYS B 71 59.475 -0.895 7.371 1.00 0.00 H new ATOM 0 HG3 LYS B 71 60.190 -2.373 7.984 1.00 0.00 H new ATOM 0 HD2 LYS B 71 60.141 -1.899 4.986 1.00 0.00 H new ATOM 0 HD3 LYS B 71 61.339 -1.066 5.957 1.00 0.00 H new ATOM 0 HE2 LYS B 71 62.091 -3.271 6.911 1.00 0.00 H new ATOM 0 HE3 LYS B 71 60.901 -4.099 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 63.072 -4.084 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 61.961 -3.189 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 63.114 -2.387 4.885 1.00 0.00 H new ATOM 1814 N ALA B 72 55.356 -2.928 6.246 1.00 0.00 N ATOM 1815 CA ALA B 72 54.226 -3.687 5.737 1.00 0.00 C ATOM 1816 C ALA B 72 53.464 -2.872 4.702 1.00 0.00 C ATOM 1817 O ALA B 72 53.030 -3.404 3.679 1.00 0.00 O ATOM 1818 CB ALA B 72 53.286 -4.062 6.881 1.00 0.00 C ATOM 0 H ALA B 72 55.327 -2.737 7.248 1.00 0.00 H new ATOM 0 HA ALA B 72 54.605 -4.595 5.268 1.00 0.00 H new ATOM 0 HB1 ALA B 72 52.443 -4.630 6.488 1.00 0.00 H new ATOM 0 HB2 ALA B 72 53.824 -4.668 7.610 1.00 0.00 H new ATOM 0 HB3 ALA B 72 52.919 -3.156 7.363 1.00 0.00 H new ATOM 1824 N LEU B 73 53.297 -1.577 4.968 1.00 0.00 N ATOM 1825 CA LEU B 73 52.575 -0.721 4.033 1.00 0.00 C ATOM 1826 C LEU B 73 53.309 -0.658 2.695 1.00 0.00 C ATOM 1827 O LEU B 73 52.693 -0.742 1.633 1.00 0.00 O ATOM 1828 CB LEU B 73 52.444 0.690 4.618 1.00 0.00 C ATOM 1829 CG LEU B 73 51.657 1.595 3.658 1.00 0.00 C ATOM 1830 CD1 LEU B 73 50.238 1.048 3.469 1.00 0.00 C ATOM 1831 CD2 LEU B 73 51.583 3.006 4.245 1.00 0.00 C ATOM 0 H LEU B 73 53.644 -1.107 5.804 1.00 0.00 H new ATOM 0 HA LEU B 73 51.582 -1.139 3.870 1.00 0.00 H new ATOM 0 HB2 LEU B 73 51.939 0.645 5.583 1.00 0.00 H new ATOM 0 HB3 LEU B 73 53.434 1.111 4.796 1.00 0.00 H new ATOM 0 HG LEU B 73 52.161 1.621 2.692 1.00 0.00 H new ATOM 0 HD11 LEU B 73 49.686 1.695 2.787 1.00 0.00 H new ATOM 0 HD12 LEU B 73 50.288 0.042 3.053 1.00 0.00 H new ATOM 0 HD13 LEU B 73 49.729 1.018 4.432 1.00 0.00 H new ATOM 0 HD21 LEU B 73 51.025 3.653 3.568 1.00 0.00 H new ATOM 0 HD22 LEU B 73 51.080 2.972 5.211 1.00 0.00 H new ATOM 0 HD23 LEU B 73 52.591 3.399 4.375 1.00 0.00 H new ATOM 1843 N GLU B 74 54.627 -0.498 2.758 1.00 0.00 N ATOM 1844 CA GLU B 74 55.436 -0.411 1.545 1.00 0.00 C ATOM 1845 C GLU B 74 55.359 -1.707 0.741 1.00 0.00 C ATOM 1846 O GLU B 74 55.300 -1.679 -0.487 1.00 0.00 O ATOM 1847 CB GLU B 74 56.893 -0.115 1.909 1.00 0.00 C ATOM 1848 CG GLU B 74 57.009 1.319 2.433 1.00 0.00 C ATOM 1849 CD GLU B 74 58.418 1.568 2.960 1.00 0.00 C ATOM 1850 OE1 GLU B 74 59.150 0.603 3.118 1.00 0.00 O ATOM 1851 OE2 GLU B 74 58.746 2.719 3.199 1.00 0.00 O ATOM 0 H GLU B 74 55.155 -0.426 3.628 1.00 0.00 H new ATOM 0 HA GLU B 74 55.042 0.399 0.931 1.00 0.00 H new ATOM 0 HB2 GLU B 74 57.240 -0.819 2.666 1.00 0.00 H new ATOM 0 HB3 GLU B 74 57.531 -0.247 1.035 1.00 0.00 H new ATOM 0 HG2 GLU B 74 56.780 2.026 1.636 1.00 0.00 H new ATOM 0 HG3 GLU B 74 56.280 1.485 3.226 1.00 0.00 H new ATOM 1858 N LEU B 75 55.362 -2.836 1.444 1.00 0.00 N ATOM 1859 CA LEU B 75 55.290 -4.142 0.793 1.00 0.00 C ATOM 1860 C LEU B 75 53.984 -4.271 0.016 1.00 0.00 C ATOM 1861 O LEU B 75 53.959 -4.787 -1.100 1.00 0.00 O ATOM 1862 CB LEU B 75 55.365 -5.234 1.863 1.00 0.00 C ATOM 1863 CG LEU B 75 56.789 -5.305 2.437 1.00 0.00 C ATOM 1864 CD1 LEU B 75 56.761 -6.052 3.770 1.00 0.00 C ATOM 1865 CD2 LEU B 75 57.733 -6.051 1.479 1.00 0.00 C ATOM 0 H LEU B 75 55.413 -2.874 2.462 1.00 0.00 H new ATOM 0 HA LEU B 75 56.122 -4.247 0.096 1.00 0.00 H new ATOM 0 HB2 LEU B 75 54.652 -5.024 2.660 1.00 0.00 H new ATOM 0 HB3 LEU B 75 55.088 -6.197 1.433 1.00 0.00 H new ATOM 0 HG LEU B 75 57.152 -4.286 2.573 1.00 0.00 H new ATOM 0 HD11 LEU B 75 57.770 -6.104 4.179 1.00 0.00 H new ATOM 0 HD12 LEU B 75 56.112 -5.524 4.469 1.00 0.00 H new ATOM 0 HD13 LEU B 75 56.381 -7.061 3.613 1.00 0.00 H new ATOM 0 HD21 LEU B 75 58.734 -6.087 1.909 1.00 0.00 H new ATOM 0 HD22 LEU B 75 57.367 -7.066 1.325 1.00 0.00 H new ATOM 0 HD23 LEU B 75 57.768 -5.529 0.523 1.00 0.00 H new ATOM 1877 N TYR B 76 52.899 -3.793 0.609 1.00 0.00 N ATOM 1878 CA TYR B 76 51.603 -3.848 -0.050 1.00 0.00 C ATOM 1879 C TYR B 76 51.621 -3.021 -1.334 1.00 0.00 C ATOM 1880 O TYR B 76 51.175 -3.477 -2.384 1.00 0.00 O ATOM 1881 CB TYR B 76 50.505 -3.343 0.883 1.00 0.00 C ATOM 1882 CG TYR B 76 49.192 -3.322 0.139 1.00 0.00 C ATOM 1883 CD1 TYR B 76 48.510 -4.518 -0.116 1.00 0.00 C ATOM 1884 CD2 TYR B 76 48.656 -2.105 -0.294 1.00 0.00 C ATOM 1885 CE1 TYR B 76 47.292 -4.497 -0.805 1.00 0.00 C ATOM 1886 CE2 TYR B 76 47.438 -2.083 -0.983 1.00 0.00 C ATOM 1887 CZ TYR B 76 46.756 -3.279 -1.239 1.00 0.00 C ATOM 1888 OH TYR B 76 45.554 -3.258 -1.917 1.00 0.00 O ATOM 0 H TYR B 76 52.890 -3.367 1.536 1.00 0.00 H new ATOM 0 HA TYR B 76 51.394 -4.887 -0.305 1.00 0.00 H new ATOM 0 HB2 TYR B 76 50.430 -3.988 1.759 1.00 0.00 H new ATOM 0 HB3 TYR B 76 50.749 -2.343 1.243 1.00 0.00 H new ATOM 0 HD1 TYR B 76 48.924 -5.457 0.219 1.00 0.00 H new ATOM 0 HD2 TYR B 76 49.182 -1.182 -0.097 1.00 0.00 H new ATOM 0 HE1 TYR B 76 46.766 -5.420 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR B 76 47.024 -1.143 -1.317 1.00 0.00 H new ATOM 0 HH TYR B 76 45.333 -4.164 -2.219 1.00 0.00 H new ATOM 1898 N LYS B 77 52.142 -1.801 -1.235 1.00 0.00 N ATOM 1899 CA LYS B 77 52.209 -0.910 -2.390 1.00 0.00 C ATOM 1900 C LYS B 77 52.990 -1.559 -3.526 1.00 0.00 C ATOM 1901 O LYS B 77 52.531 -1.598 -4.668 1.00 0.00 O ATOM 1902 CB LYS B 77 52.906 0.390 -1.974 1.00 0.00 C ATOM 1903 CG LYS B 77 53.141 1.276 -3.202 1.00 0.00 C ATOM 1904 CD LYS B 77 53.681 2.643 -2.775 1.00 0.00 C ATOM 1905 CE LYS B 77 55.157 2.538 -2.376 1.00 0.00 C ATOM 1906 NZ LYS B 77 55.699 3.906 -2.125 1.00 0.00 N ATOM 0 H LYS B 77 52.522 -1.409 -0.373 1.00 0.00 H new ATOM 0 HA LYS B 77 51.197 -0.704 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS B 77 52.296 0.921 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS B 77 53.857 0.164 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS B 77 53.847 0.793 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS B 77 52.208 1.401 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS B 77 53.569 3.356 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS B 77 53.098 3.025 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS B 77 55.261 1.924 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS B 77 55.725 2.049 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 56.701 3.838 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 55.612 4.478 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 55.162 4.356 -1.357 1.00 0.00 H new ATOM 1920 N ILE B 78 54.165 -2.071 -3.201 1.00 0.00 N ATOM 1921 CA ILE B 78 55.008 -2.726 -4.197 1.00 0.00 C ATOM 1922 C ILE B 78 54.543 -4.155 -4.439 1.00 0.00 C ATOM 1923 O ILE B 78 55.038 -4.836 -5.338 1.00 0.00 O ATOM 1924 CB ILE B 78 56.470 -2.722 -3.744 1.00 0.00 C ATOM 1925 CG1 ILE B 78 57.323 -3.442 -4.783 1.00 0.00 C ATOM 1926 CG2 ILE B 78 56.595 -3.439 -2.410 1.00 0.00 C ATOM 1927 CD1 ILE B 78 58.792 -3.058 -4.598 1.00 0.00 C ATOM 0 H ILE B 78 54.559 -2.048 -2.260 1.00 0.00 H new ATOM 0 HA ILE B 78 54.926 -2.170 -5.131 1.00 0.00 H new ATOM 0 HB ILE B 78 56.811 -1.692 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE B 78 57.203 -4.521 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE B 78 56.991 -3.177 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE B 78 57.637 -3.434 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE B 78 55.985 -2.929 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE B 78 56.253 -4.468 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE B 78 59.399 -3.574 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE B 78 58.905 -1.981 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE B 78 59.120 -3.345 -3.599 1.00 0.00 H new ATOM 1939 N ASN B 79 53.591 -4.604 -3.630 1.00 0.00 N ATOM 1940 CA ASN B 79 53.141 -5.990 -3.699 1.00 0.00 C ATOM 1941 C ASN B 79 54.286 -6.991 -3.742 1.00 0.00 C ATOM 1942 O ASN B 79 54.232 -7.985 -4.466 1.00 0.00 O ATOM 1943 CB ASN B 79 52.297 -6.116 -4.970 1.00 0.00 C ATOM 1944 CG ASN B 79 51.394 -7.342 -4.876 1.00 0.00 C ATOM 1945 OD1 ASN B 79 50.973 -7.720 -3.783 1.00 0.00 O ATOM 1946 ND2 ASN B 79 51.064 -7.985 -5.963 1.00 0.00 N ATOM 0 H ASN B 79 53.120 -4.036 -2.926 1.00 0.00 H new ATOM 0 HA ASN B 79 52.575 -6.223 -2.797 1.00 0.00 H new ATOM 0 HB2 ASN B 79 51.693 -5.219 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN B 79 52.947 -6.198 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN B 79 50.456 -8.802 -5.907 1.00 0.00 H new ATOM 0 HD22 ASN B 79 51.414 -7.670 -6.868 1.00 0.00 H new ATOM 1953 N ALA B 80 55.321 -6.722 -2.954 1.00 0.00 N ATOM 1954 CA ALA B 80 56.476 -7.605 -2.900 1.00 0.00 C ATOM 1955 C ALA B 80 56.067 -8.982 -2.390 1.00 0.00 C ATOM 1956 O ALA B 80 55.221 -9.100 -1.505 1.00 0.00 O ATOM 1957 CB ALA B 80 57.544 -7.014 -1.978 1.00 0.00 C ATOM 0 H ALA B 80 55.382 -5.904 -2.348 1.00 0.00 H new ATOM 0 HA ALA B 80 56.883 -7.706 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA B 80 58.405 -7.682 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA B 80 57.855 -6.041 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA B 80 57.135 -6.898 -0.975 1.00 0.00 H new ATOM 1963 N LYS B 81 56.669 -10.017 -2.962 1.00 0.00 N ATOM 1964 CA LYS B 81 56.367 -11.389 -2.572 1.00 0.00 C ATOM 1965 C LYS B 81 56.989 -11.709 -1.218 1.00 0.00 C ATOM 1966 O LYS B 81 58.065 -11.214 -0.886 1.00 0.00 O ATOM 1967 CB LYS B 81 56.897 -12.361 -3.624 1.00 0.00 C ATOM 1968 CG LYS B 81 56.175 -12.115 -4.949 1.00 0.00 C ATOM 1969 CD LYS B 81 56.696 -13.096 -6.004 1.00 0.00 C ATOM 1970 CE LYS B 81 55.986 -12.844 -7.334 1.00 0.00 C ATOM 1971 NZ LYS B 81 56.313 -11.471 -7.812 1.00 0.00 N ATOM 0 H LYS B 81 57.370 -9.933 -3.698 1.00 0.00 H new ATOM 0 HA LYS B 81 55.285 -11.495 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS B 81 57.971 -12.227 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS B 81 56.741 -13.389 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS B 81 55.100 -12.241 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS B 81 56.338 -11.089 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS B 81 57.772 -12.976 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS B 81 56.525 -14.122 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS B 81 56.298 -13.583 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS B 81 54.908 -12.952 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 56.148 -11.412 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 55.709 -10.780 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 57.311 -11.262 -7.610 1.00 0.00 H new ATOM 1985 N LEU B 82 56.300 -12.534 -0.440 1.00 0.00 N ATOM 1986 CA LEU B 82 56.789 -12.910 0.881 1.00 0.00 C ATOM 1987 C LEU B 82 57.510 -14.251 0.830 1.00 0.00 C ATOM 1988 O LEU B 82 57.033 -15.203 0.210 1.00 0.00 O ATOM 1989 CB LEU B 82 55.625 -12.998 1.872 1.00 0.00 C ATOM 1990 CG LEU B 82 54.762 -11.731 1.776 1.00 0.00 C ATOM 1991 CD1 LEU B 82 53.745 -11.844 0.632 1.00 0.00 C ATOM 1992 CD2 LEU B 82 54.015 -11.526 3.095 1.00 0.00 C ATOM 0 H LEU B 82 55.407 -12.953 -0.698 1.00 0.00 H new ATOM 0 HA LEU B 82 57.491 -12.144 1.211 1.00 0.00 H new ATOM 0 HB2 LEU B 82 55.019 -13.879 1.658 1.00 0.00 H new ATOM 0 HB3 LEU B 82 56.007 -13.113 2.886 1.00 0.00 H new ATOM 0 HG LEU B 82 55.416 -10.882 1.577 1.00 0.00 H new ATOM 0 HD11 LEU B 82 53.147 -10.934 0.586 1.00 0.00 H new ATOM 0 HD12 LEU B 82 54.273 -11.980 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU B 82 53.092 -12.699 0.809 1.00 0.00 H new ATOM 0 HD21 LEU B 82 53.402 -10.627 3.030 1.00 0.00 H new ATOM 0 HD22 LEU B 82 53.377 -12.388 3.289 1.00 0.00 H new ATOM 0 HD23 LEU B 82 54.734 -11.417 3.907 1.00 0.00 H new