USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 567 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 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -143:sc= 2.15 (180deg=1.19) USER MOD Set 2.1: A 44 SER OG : rot 14:sc= 1.2 USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= -0.0154 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 161:sc= 1.24 (180deg=0.858) USER MOD Set 3.2: A 88 TYR OH : rot -30:sc=0.000123 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -140:sc= 1.23 (180deg=0.927) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.14) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.201 USER MOD Single : A 42 THR OG1 : rot -88:sc= 1.24 USER MOD Single : A 45 THR OG1 : rot 170:sc= 0 USER MOD Single : A 49 MET CE :methyl -157:sc= -0.227 (180deg=-0.865) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= 2.04 (180deg=1.78) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 76 GLN : amide:sc= -0.64 K(o=-0.64,f=-3.1!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.489 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= -2.35! (180deg=-5.04!) USER MOD Single : A 82 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-0.01) USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.17) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.14) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0.807 (180deg=0.806) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 4.526 -6.693 3.199 1.00 0.00 N ATOM 329 CA ALA A 22 4.608 -5.404 2.496 1.00 0.00 C ATOM 330 C ALA A 22 4.228 -4.200 3.358 1.00 0.00 C ATOM 331 O ALA A 22 3.053 -3.968 3.648 1.00 0.00 O ATOM 332 CB ALA A 22 3.746 -5.438 1.242 1.00 0.00 C ATOM 0 HA ALA A 22 5.657 -5.270 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.813 -4.479 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.097 -6.230 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.709 -5.630 1.518 1.00 0.00 H new ATOM 338 N GLU A 23 5.242 -3.445 3.766 1.00 0.00 N ATOM 339 CA GLU A 23 5.040 -2.181 4.460 1.00 0.00 C ATOM 340 C GLU A 23 6.248 -1.271 4.230 1.00 0.00 C ATOM 341 O GLU A 23 7.301 -1.729 3.775 1.00 0.00 O ATOM 342 CB GLU A 23 4.812 -2.405 5.962 1.00 0.00 C ATOM 343 CG GLU A 23 4.336 -1.156 6.692 1.00 0.00 C ATOM 344 CD GLU A 23 4.214 -1.345 8.189 1.00 0.00 C ATOM 345 OE1 GLU A 23 5.241 -1.233 8.890 1.00 0.00 O ATOM 346 OE2 GLU A 23 3.086 -1.566 8.675 1.00 0.00 O ATOM 0 H GLU A 23 6.222 -3.691 3.625 1.00 0.00 H new ATOM 0 HA GLU A 23 4.147 -1.701 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.077 -3.198 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.741 -2.751 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.030 -0.340 6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.368 -0.856 6.291 1.00 0.00 H new ATOM 353 N ILE A 24 6.083 0.014 4.508 1.00 0.00 N ATOM 354 CA ILE A 24 7.163 0.984 4.362 1.00 0.00 C ATOM 355 C ILE A 24 8.141 0.866 5.535 1.00 0.00 C ATOM 356 O ILE A 24 7.728 0.609 6.667 1.00 0.00 O ATOM 357 CB ILE A 24 6.607 2.430 4.319 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.591 2.596 3.184 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.732 3.451 4.174 1.00 0.00 C ATOM 360 CD1 ILE A 24 6.205 2.617 1.802 1.00 0.00 C ATOM 0 H ILE A 24 5.205 0.413 4.839 1.00 0.00 H new ATOM 0 HA ILE A 24 7.678 0.770 3.425 1.00 0.00 H new ATOM 0 HB ILE A 24 6.100 2.613 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.868 1.782 3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.039 3.523 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.310 4.456 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.412 3.366 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.278 3.262 3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.419 2.738 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.906 3.448 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.733 1.680 1.624 1.00 0.00 H new ATOM 372 N MET A 25 9.427 1.058 5.273 1.00 0.00 N ATOM 373 CA MET A 25 10.431 0.982 6.328 1.00 0.00 C ATOM 374 C MET A 25 11.171 2.311 6.476 1.00 0.00 C ATOM 375 O MET A 25 11.028 3.209 5.644 1.00 0.00 O ATOM 376 CB MET A 25 11.429 -0.141 6.035 1.00 0.00 C ATOM 377 CG MET A 25 10.809 -1.530 6.016 1.00 0.00 C ATOM 378 SD MET A 25 10.079 -1.988 7.600 1.00 0.00 S ATOM 379 CE MET A 25 9.478 -3.635 7.227 1.00 0.00 C ATOM 0 H MET A 25 9.799 1.266 4.346 1.00 0.00 H new ATOM 0 HA MET A 25 9.918 0.767 7.265 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.901 0.048 5.071 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.218 -0.117 6.786 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.043 -1.571 5.242 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.572 -2.260 5.748 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.998 -4.056 8.110 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.756 -3.583 6.412 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.314 -4.269 6.931 1.00 0.00 H new ATOM 389 N LYS A 26 11.951 2.434 7.548 1.00 0.00 N ATOM 390 CA LYS A 26 12.769 3.616 7.784 1.00 0.00 C ATOM 391 C LYS A 26 14.069 3.501 6.999 1.00 0.00 C ATOM 392 O LYS A 26 14.514 2.397 6.732 1.00 0.00 O ATOM 393 CB LYS A 26 13.079 3.741 9.272 1.00 0.00 C ATOM 394 CG LYS A 26 11.847 3.702 10.164 1.00 0.00 C ATOM 395 CD LYS A 26 11.746 4.936 11.045 1.00 0.00 C ATOM 396 CE LYS A 26 12.977 5.125 11.918 1.00 0.00 C ATOM 397 NZ LYS A 26 13.230 3.958 12.804 1.00 0.00 N ATOM 0 H LYS A 26 12.032 1.720 8.272 1.00 0.00 H new ATOM 0 HA LYS A 26 12.224 4.501 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.751 2.933 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.611 4.676 9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.953 3.624 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.880 2.811 10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.609 5.817 10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.863 4.856 11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.847 5.291 11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.852 6.020 12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.536 4.293 13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.357 3.402 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.974 3.362 12.389 1.00 0.00 H new ATOM 411 N LYS A 27 14.682 4.627 6.654 1.00 0.00 N ATOM 412 CA LYS A 27 15.884 4.632 5.816 1.00 0.00 C ATOM 413 C LYS A 27 16.991 3.751 6.402 1.00 0.00 C ATOM 414 O LYS A 27 17.491 2.842 5.735 1.00 0.00 O ATOM 415 CB LYS A 27 16.400 6.065 5.638 1.00 0.00 C ATOM 416 CG LYS A 27 17.625 6.175 4.740 1.00 0.00 C ATOM 417 CD LYS A 27 17.332 5.684 3.331 1.00 0.00 C ATOM 418 CE LYS A 27 18.550 5.812 2.429 1.00 0.00 C ATOM 419 NZ LYS A 27 18.273 5.340 1.045 1.00 0.00 N ATOM 0 H LYS A 27 14.368 5.554 6.941 1.00 0.00 H new ATOM 0 HA LYS A 27 15.607 4.220 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.601 6.679 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.642 6.477 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.957 7.212 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.443 5.593 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.013 4.642 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.505 6.256 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.871 6.853 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.374 5.236 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.129 5.445 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.992 4.339 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.504 5.906 0.633 1.00 0.00 H new ATOM 433 N THR A 28 17.349 4.005 7.653 1.00 0.00 N ATOM 434 CA THR A 28 18.450 3.300 8.292 1.00 0.00 C ATOM 435 C THR A 28 18.096 1.833 8.539 1.00 0.00 C ATOM 436 O THR A 28 18.907 0.937 8.302 1.00 0.00 O ATOM 437 CB THR A 28 18.838 3.974 9.625 1.00 0.00 C ATOM 438 OG1 THR A 28 19.069 5.377 9.414 1.00 0.00 O ATOM 439 CG2 THR A 28 20.086 3.338 10.220 1.00 0.00 C ATOM 0 H THR A 28 16.891 4.696 8.247 1.00 0.00 H new ATOM 0 HA THR A 28 19.302 3.344 7.614 1.00 0.00 H new ATOM 0 HB THR A 28 18.014 3.837 10.325 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.313 5.800 10.264 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.335 3.834 11.158 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.902 2.280 10.406 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.917 3.444 9.522 1.00 0.00 H new ATOM 447 N ASP A 29 16.874 1.589 8.990 1.00 0.00 N ATOM 448 CA ASP A 29 16.440 0.231 9.302 1.00 0.00 C ATOM 449 C ASP A 29 16.229 -0.570 8.028 1.00 0.00 C ATOM 450 O ASP A 29 16.552 -1.754 7.978 1.00 0.00 O ATOM 451 CB ASP A 29 15.155 0.247 10.136 1.00 0.00 C ATOM 452 CG ASP A 29 15.298 1.047 11.419 1.00 0.00 C ATOM 453 OD1 ASP A 29 15.972 0.567 12.357 1.00 0.00 O ATOM 454 OD2 ASP A 29 14.752 2.170 11.490 1.00 0.00 O ATOM 0 H ASP A 29 16.168 2.308 9.148 1.00 0.00 H new ATOM 0 HA ASP A 29 17.225 -0.247 9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.345 0.667 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.873 -0.777 10.381 1.00 0.00 H new ATOM 459 N PHE A 30 15.705 0.076 6.994 1.00 0.00 N ATOM 460 CA PHE A 30 15.505 -0.575 5.706 1.00 0.00 C ATOM 461 C PHE A 30 16.839 -1.005 5.127 1.00 0.00 C ATOM 462 O PHE A 30 16.972 -2.102 4.595 1.00 0.00 O ATOM 463 CB PHE A 30 14.788 0.353 4.722 1.00 0.00 C ATOM 464 CG PHE A 30 14.795 -0.149 3.305 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.082 -1.284 2.953 1.00 0.00 C ATOM 466 CD2 PHE A 30 15.529 0.507 2.331 1.00 0.00 C ATOM 467 CE1 PHE A 30 14.100 -1.753 1.656 1.00 0.00 C ATOM 468 CE2 PHE A 30 15.553 0.041 1.034 1.00 0.00 C ATOM 469 CZ PHE A 30 14.838 -1.089 0.696 1.00 0.00 C ATOM 0 H PHE A 30 15.410 1.052 7.023 1.00 0.00 H new ATOM 0 HA PHE A 30 14.879 -1.453 5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.756 0.485 5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.260 1.335 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.506 -1.807 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.089 1.393 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.539 -2.637 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 30 16.131 0.560 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.855 -1.455 -0.320 1.00 0.00 H new ATOM 479 N ASP A 31 17.827 -0.138 5.247 1.00 0.00 N ATOM 480 CA ASP A 31 19.160 -0.423 4.741 1.00 0.00 C ATOM 481 C ASP A 31 19.776 -1.605 5.474 1.00 0.00 C ATOM 482 O ASP A 31 20.555 -2.369 4.908 1.00 0.00 O ATOM 483 CB ASP A 31 20.044 0.819 4.890 1.00 0.00 C ATOM 484 CG ASP A 31 21.443 0.621 4.352 1.00 0.00 C ATOM 485 OD1 ASP A 31 21.641 0.806 3.131 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.351 0.288 5.144 1.00 0.00 O ATOM 0 H ASP A 31 17.732 0.775 5.693 1.00 0.00 H new ATOM 0 HA ASP A 31 19.086 -0.685 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.576 1.655 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.102 1.092 5.944 1.00 0.00 H new ATOM 491 N LYS A 32 19.401 -1.762 6.727 1.00 0.00 N ATOM 492 CA LYS A 32 19.939 -2.822 7.558 1.00 0.00 C ATOM 493 C LYS A 32 19.146 -4.112 7.409 1.00 0.00 C ATOM 494 O LYS A 32 19.711 -5.200 7.510 1.00 0.00 O ATOM 495 CB LYS A 32 19.989 -2.338 9.009 1.00 0.00 C ATOM 496 CG LYS A 32 21.344 -1.757 9.390 1.00 0.00 C ATOM 497 CD LYS A 32 21.724 -0.626 8.450 1.00 0.00 C ATOM 498 CE LYS A 32 23.185 -0.235 8.574 1.00 0.00 C ATOM 499 NZ LYS A 32 23.576 0.757 7.535 1.00 0.00 N ATOM 0 H LYS A 32 18.720 -1.164 7.196 1.00 0.00 H new ATOM 0 HA LYS A 32 20.952 -3.057 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.219 -1.582 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.756 -3.170 9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.313 -1.390 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.104 -2.538 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.517 -0.926 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.099 0.242 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.368 0.183 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.809 -1.124 8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.613 0.812 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.196 0.462 6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.192 1.691 7.785 1.00 0.00 H new ATOM 513 N VAL A 33 17.851 -4.008 7.140 1.00 0.00 N ATOM 514 CA VAL A 33 17.052 -5.202 6.888 1.00 0.00 C ATOM 515 C VAL A 33 17.208 -5.656 5.439 1.00 0.00 C ATOM 516 O VAL A 33 16.988 -6.822 5.129 1.00 0.00 O ATOM 517 CB VAL A 33 15.553 -5.017 7.218 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.371 -4.646 8.680 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.908 -3.979 6.315 1.00 0.00 C ATOM 0 H VAL A 33 17.338 -3.128 7.091 1.00 0.00 H new ATOM 0 HA VAL A 33 17.434 -5.969 7.562 1.00 0.00 H new ATOM 0 HB VAL A 33 15.052 -5.968 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.310 -4.520 8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.776 -5.438 9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.896 -3.714 8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.855 -3.875 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.411 -3.021 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.996 -4.296 5.276 1.00 0.00 H new ATOM 529 N ALA A 34 17.629 -4.738 4.559 1.00 0.00 N ATOM 530 CA ALA A 34 17.843 -5.058 3.145 1.00 0.00 C ATOM 531 C ALA A 34 18.928 -6.117 2.980 1.00 0.00 C ATOM 532 O ALA A 34 19.078 -6.710 1.914 1.00 0.00 O ATOM 533 CB ALA A 34 18.208 -3.808 2.358 1.00 0.00 C ATOM 0 H ALA A 34 17.828 -3.768 4.803 1.00 0.00 H new ATOM 0 HA ALA A 34 16.909 -5.459 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.362 -4.069 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.400 -3.081 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.124 -3.377 2.763 1.00 0.00 H new ATOM 539 N SER A 35 19.682 -6.339 4.041 1.00 0.00 N ATOM 540 CA SER A 35 20.694 -7.373 4.059 1.00 0.00 C ATOM 541 C SER A 35 20.045 -8.760 3.927 1.00 0.00 C ATOM 542 O SER A 35 20.611 -9.662 3.303 1.00 0.00 O ATOM 543 CB SER A 35 21.526 -7.246 5.344 1.00 0.00 C ATOM 544 OG SER A 35 22.470 -8.299 5.472 1.00 0.00 O ATOM 0 H SER A 35 19.609 -5.809 4.909 1.00 0.00 H new ATOM 0 HA SER A 35 21.363 -7.252 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.048 -6.289 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.861 -7.248 6.208 1.00 0.00 H new ATOM 0 HG SER A 35 22.980 -8.182 6.300 1.00 0.00 H new ATOM 550 N GLU A 36 18.850 -8.917 4.498 1.00 0.00 N ATOM 551 CA GLU A 36 18.089 -10.156 4.366 1.00 0.00 C ATOM 552 C GLU A 36 16.925 -9.982 3.395 1.00 0.00 C ATOM 553 O GLU A 36 15.942 -10.722 3.441 1.00 0.00 O ATOM 554 CB GLU A 36 17.558 -10.607 5.722 1.00 0.00 C ATOM 555 CG GLU A 36 18.639 -10.746 6.771 1.00 0.00 C ATOM 556 CD GLU A 36 18.318 -11.824 7.792 1.00 0.00 C ATOM 557 OE1 GLU A 36 17.261 -12.474 7.669 1.00 0.00 O ATOM 558 OE2 GLU A 36 19.124 -12.033 8.722 1.00 0.00 O ATOM 0 H GLU A 36 18.389 -8.199 5.057 1.00 0.00 H new ATOM 0 HA GLU A 36 18.763 -10.918 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.814 -9.891 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.049 -11.564 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.586 -10.980 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.771 -9.792 7.282 1.00 0.00 H new ATOM 565 N TYR A 37 17.052 -9.017 2.500 1.00 0.00 N ATOM 566 CA TYR A 37 16.025 -8.762 1.499 1.00 0.00 C ATOM 567 C TYR A 37 16.649 -8.641 0.112 1.00 0.00 C ATOM 568 O TYR A 37 17.861 -8.479 -0.023 1.00 0.00 O ATOM 569 CB TYR A 37 15.227 -7.496 1.836 1.00 0.00 C ATOM 570 CG TYR A 37 14.117 -7.711 2.851 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.389 -7.861 4.206 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.791 -7.769 2.444 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.373 -8.058 5.123 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.770 -7.966 3.354 1.00 0.00 C ATOM 575 CZ TYR A 37 12.065 -8.112 4.693 1.00 0.00 C ATOM 576 OH TYR A 37 11.047 -8.307 5.602 1.00 0.00 O ATOM 0 H TYR A 37 17.858 -8.394 2.445 1.00 0.00 H new ATOM 0 HA TYR A 37 15.337 -9.607 1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.912 -6.739 2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.793 -7.099 0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.412 -7.823 4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.553 -7.658 1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.604 -8.169 6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.744 -8.005 3.018 1.00 0.00 H new ATOM 0 HH TYR A 37 10.187 -8.318 5.132 1.00 0.00 H new ATOM 586 N THR A 38 15.811 -8.717 -0.903 1.00 0.00 N ATOM 587 CA THR A 38 16.251 -8.700 -2.288 1.00 0.00 C ATOM 588 C THR A 38 15.268 -7.853 -3.094 1.00 0.00 C ATOM 589 O THR A 38 14.216 -7.491 -2.586 1.00 0.00 O ATOM 590 CB THR A 38 16.305 -10.141 -2.860 1.00 0.00 C ATOM 591 OG1 THR A 38 16.887 -11.030 -1.899 1.00 0.00 O ATOM 592 CG2 THR A 38 17.123 -10.202 -4.144 1.00 0.00 C ATOM 0 H THR A 38 14.800 -8.793 -0.792 1.00 0.00 H new ATOM 0 HA THR A 38 17.253 -8.276 -2.350 1.00 0.00 H new ATOM 0 HB THR A 38 15.282 -10.443 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.511 -11.928 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.139 -11.226 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.673 -9.550 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 38 18.142 -9.873 -3.942 1.00 0.00 H new ATOM 600 N LYS A 39 15.597 -7.525 -4.326 1.00 0.00 N ATOM 601 CA LYS A 39 14.708 -6.724 -5.146 1.00 0.00 C ATOM 602 C LYS A 39 14.157 -7.540 -6.305 1.00 0.00 C ATOM 603 O LYS A 39 14.889 -8.282 -6.958 1.00 0.00 O ATOM 604 CB LYS A 39 15.430 -5.479 -5.657 1.00 0.00 C ATOM 605 CG LYS A 39 14.617 -4.679 -6.665 1.00 0.00 C ATOM 606 CD LYS A 39 14.818 -3.182 -6.506 1.00 0.00 C ATOM 607 CE LYS A 39 16.284 -2.789 -6.578 1.00 0.00 C ATOM 608 NZ LYS A 39 16.455 -1.316 -6.493 1.00 0.00 N ATOM 0 H LYS A 39 16.468 -7.798 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 39 13.868 -6.406 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.677 -4.838 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.372 -5.778 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.899 -4.976 -7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.560 -4.916 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.264 -2.658 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.404 -2.861 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.831 -3.268 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.715 -3.154 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.435 -1.095 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.246 -0.888 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.804 -0.932 -5.778 1.00 0.00 H new ATOM 622 N ILE A 40 12.858 -7.406 -6.540 1.00 0.00 N ATOM 623 CA ILE A 40 12.195 -8.118 -7.624 1.00 0.00 C ATOM 624 C ILE A 40 11.835 -7.174 -8.770 1.00 0.00 C ATOM 625 O ILE A 40 11.488 -7.617 -9.866 1.00 0.00 O ATOM 626 CB ILE A 40 10.924 -8.835 -7.128 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.030 -7.858 -6.362 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.298 -10.028 -6.257 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.773 -8.490 -5.816 1.00 0.00 C ATOM 0 H ILE A 40 12.240 -6.808 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 40 12.899 -8.864 -7.992 1.00 0.00 H new ATOM 0 HB ILE A 40 10.367 -9.203 -7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.599 -7.429 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.756 -7.035 -7.022 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.391 -10.526 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.899 -10.728 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.872 -9.684 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.189 -7.738 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.183 -8.895 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.039 -9.294 -5.130 1.00 0.00 H new ATOM 641 N GLY A 41 11.913 -5.874 -8.514 1.00 0.00 N ATOM 642 CA GLY A 41 11.619 -4.895 -9.544 1.00 0.00 C ATOM 643 C GLY A 41 11.077 -3.606 -8.970 1.00 0.00 C ATOM 644 O GLY A 41 10.757 -3.538 -7.782 1.00 0.00 O ATOM 0 H GLY A 41 12.175 -5.479 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.525 -4.685 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.894 -5.312 -10.243 1.00 0.00 H new ATOM 648 N THR A 42 10.991 -2.582 -9.803 1.00 0.00 N ATOM 649 CA THR A 42 10.443 -1.298 -9.393 1.00 0.00 C ATOM 650 C THR A 42 9.045 -1.110 -9.985 1.00 0.00 C ATOM 651 O THR A 42 8.702 -1.729 -10.995 1.00 0.00 O ATOM 652 CB THR A 42 11.369 -0.146 -9.844 1.00 0.00 C ATOM 653 OG1 THR A 42 12.732 -0.474 -9.539 1.00 0.00 O ATOM 654 CG2 THR A 42 11.010 1.166 -9.163 1.00 0.00 C ATOM 0 H THR A 42 11.296 -2.615 -10.776 1.00 0.00 H new ATOM 0 HA THR A 42 10.373 -1.282 -8.305 1.00 0.00 H new ATOM 0 HB THR A 42 11.239 -0.020 -10.919 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.942 -0.183 -8.627 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.684 1.951 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.983 1.435 -9.411 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.105 1.053 -8.083 1.00 0.00 H new ATOM 662 N ILE A 43 8.236 -0.274 -9.348 1.00 0.00 N ATOM 663 CA ILE A 43 6.883 0.006 -9.820 1.00 0.00 C ATOM 664 C ILE A 43 6.620 1.509 -9.827 1.00 0.00 C ATOM 665 O ILE A 43 7.370 2.280 -9.229 1.00 0.00 O ATOM 666 CB ILE A 43 5.801 -0.678 -8.947 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.831 -0.123 -7.521 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.984 -2.190 -8.933 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.748 -0.683 -6.630 1.00 0.00 C ATOM 0 H ILE A 43 8.494 0.226 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 43 6.819 -0.397 -10.831 1.00 0.00 H new ATOM 0 HB ILE A 43 4.827 -0.459 -9.386 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.803 -0.339 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.732 0.962 -7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.211 -2.644 -8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.907 -2.575 -9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.965 -2.434 -8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.832 -0.244 -5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.771 -0.444 -7.051 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.858 -1.765 -6.560 1.00 0.00 H new ATOM 681 N SER A 44 5.555 1.917 -10.492 1.00 0.00 N ATOM 682 CA SER A 44 5.166 3.318 -10.531 1.00 0.00 C ATOM 683 C SER A 44 3.656 3.416 -10.685 1.00 0.00 C ATOM 684 O SER A 44 3.005 2.446 -11.069 1.00 0.00 O ATOM 685 CB SER A 44 5.866 4.037 -11.687 1.00 0.00 C ATOM 686 OG SER A 44 5.831 5.447 -11.527 1.00 0.00 O ATOM 0 H SER A 44 4.939 1.295 -11.016 1.00 0.00 H new ATOM 0 HA SER A 44 5.467 3.799 -9.600 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.902 3.703 -11.749 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.387 3.766 -12.628 1.00 0.00 H new ATOM 0 HG SER A 44 5.567 5.666 -10.609 1.00 0.00 H new ATOM 692 N THR A 45 3.104 4.571 -10.362 1.00 0.00 N ATOM 693 CA THR A 45 1.679 4.780 -10.445 1.00 0.00 C ATOM 694 C THR A 45 1.241 5.008 -11.881 1.00 0.00 C ATOM 695 O THR A 45 1.953 5.630 -12.673 1.00 0.00 O ATOM 696 CB THR A 45 1.252 5.996 -9.617 1.00 0.00 C ATOM 697 OG1 THR A 45 1.974 6.032 -8.380 1.00 0.00 O ATOM 698 CG2 THR A 45 -0.230 5.945 -9.334 1.00 0.00 C ATOM 0 H THR A 45 3.630 5.382 -10.038 1.00 0.00 H new ATOM 0 HA THR A 45 1.205 3.880 -10.053 1.00 0.00 H new ATOM 0 HB THR A 45 1.475 6.896 -10.190 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.816 6.890 -7.934 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.518 6.816 -8.745 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.780 5.945 -10.275 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.463 5.037 -8.778 1.00 0.00 H new ATOM 706 N THR A 46 0.066 4.510 -12.203 1.00 0.00 N ATOM 707 CA THR A 46 -0.520 4.732 -13.508 1.00 0.00 C ATOM 708 C THR A 46 -1.480 5.910 -13.443 1.00 0.00 C ATOM 709 O THR A 46 -2.601 5.790 -12.950 1.00 0.00 O ATOM 710 CB THR A 46 -1.283 3.504 -14.017 1.00 0.00 C ATOM 711 OG1 THR A 46 -0.513 2.310 -13.794 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.600 3.659 -15.499 1.00 0.00 C ATOM 0 H THR A 46 -0.505 3.945 -11.575 1.00 0.00 H new ATOM 0 HA THR A 46 0.298 4.935 -14.199 1.00 0.00 H new ATOM 0 HB THR A 46 -2.220 3.421 -13.466 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.012 1.533 -14.122 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.142 2.780 -15.849 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.213 4.547 -15.649 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.672 3.760 -16.061 1.00 0.00 H new ATOM 720 N GLY A 47 -1.022 7.049 -13.915 1.00 0.00 N ATOM 721 CA GLY A 47 -1.839 8.235 -13.880 1.00 0.00 C ATOM 722 C GLY A 47 -1.448 9.161 -12.750 1.00 0.00 C ATOM 723 O GLY A 47 -1.228 8.723 -11.620 1.00 0.00 O ATOM 0 H GLY A 47 -0.096 7.176 -14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.750 8.764 -14.829 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.886 7.951 -13.770 1.00 0.00 H new ATOM 727 N GLU A 48 -1.349 10.438 -13.064 1.00 0.00 N ATOM 728 CA GLU A 48 -1.013 11.452 -12.072 1.00 0.00 C ATOM 729 C GLU A 48 -2.266 11.858 -11.305 1.00 0.00 C ATOM 730 O GLU A 48 -2.986 12.776 -11.700 1.00 0.00 O ATOM 731 CB GLU A 48 -0.376 12.663 -12.755 1.00 0.00 C ATOM 732 CG GLU A 48 0.875 12.313 -13.546 1.00 0.00 C ATOM 733 CD GLU A 48 1.355 13.450 -14.421 1.00 0.00 C ATOM 734 OE1 GLU A 48 0.879 13.563 -15.567 1.00 0.00 O ATOM 735 OE2 GLU A 48 2.210 14.239 -13.967 1.00 0.00 O ATOM 0 H GLU A 48 -1.497 10.804 -14.004 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.292 11.041 -11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.105 13.121 -13.424 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.125 13.408 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.670 12.033 -12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.673 11.442 -14.169 1.00 0.00 H new ATOM 742 N MET A 49 -2.526 11.149 -10.215 1.00 0.00 N ATOM 743 CA MET A 49 -3.776 11.299 -9.478 1.00 0.00 C ATOM 744 C MET A 49 -3.541 11.792 -8.054 1.00 0.00 C ATOM 745 O MET A 49 -2.437 12.206 -7.699 1.00 0.00 O ATOM 746 CB MET A 49 -4.517 9.959 -9.444 1.00 0.00 C ATOM 747 CG MET A 49 -4.936 9.453 -10.815 1.00 0.00 C ATOM 748 SD MET A 49 -5.685 7.813 -10.754 1.00 0.00 S ATOM 749 CE MET A 49 -4.315 6.838 -10.130 1.00 0.00 C ATOM 0 H MET A 49 -1.885 10.461 -9.819 1.00 0.00 H new ATOM 0 HA MET A 49 -4.379 12.047 -9.993 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.878 9.213 -8.972 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.404 10.061 -8.818 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.644 10.155 -11.256 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.065 9.426 -11.469 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.454 5.794 -10.410 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.382 7.207 -10.556 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.275 6.920 -9.044 1.00 0.00 H new ATOM 759 N SER A 50 -4.603 11.746 -7.252 1.00 0.00 N ATOM 760 CA SER A 50 -4.554 12.150 -5.855 1.00 0.00 C ATOM 761 C SER A 50 -3.669 11.197 -5.049 1.00 0.00 C ATOM 762 O SER A 50 -3.419 10.068 -5.480 1.00 0.00 O ATOM 763 CB SER A 50 -5.973 12.155 -5.287 1.00 0.00 C ATOM 764 OG SER A 50 -6.863 12.840 -6.151 1.00 0.00 O ATOM 0 H SER A 50 -5.522 11.426 -7.557 1.00 0.00 H new ATOM 0 HA SER A 50 -4.126 13.150 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.315 11.130 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.974 12.631 -4.306 1.00 0.00 H new ATOM 0 HG SER A 50 -7.765 12.829 -5.768 1.00 0.00 H new ATOM 770 N PRO A 51 -3.193 11.629 -3.866 1.00 0.00 N ATOM 771 CA PRO A 51 -2.267 10.845 -3.044 1.00 0.00 C ATOM 772 C PRO A 51 -2.784 9.446 -2.739 1.00 0.00 C ATOM 773 O PRO A 51 -2.109 8.458 -3.016 1.00 0.00 O ATOM 774 CB PRO A 51 -2.131 11.657 -1.750 1.00 0.00 C ATOM 775 CG PRO A 51 -3.253 12.639 -1.778 1.00 0.00 C ATOM 776 CD PRO A 51 -3.515 12.916 -3.229 1.00 0.00 C ATOM 0 HA PRO A 51 -1.321 10.689 -3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.195 11.012 -0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.167 12.163 -1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.140 12.234 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.987 13.553 -1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.550 13.207 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.888 13.723 -3.607 1.00 0.00 H new ATOM 784 N LEU A 52 -3.989 9.360 -2.189 1.00 0.00 N ATOM 785 CA LEU A 52 -4.546 8.070 -1.789 1.00 0.00 C ATOM 786 C LEU A 52 -4.806 7.186 -3.005 1.00 0.00 C ATOM 787 O LEU A 52 -4.658 5.968 -2.935 1.00 0.00 O ATOM 788 CB LEU A 52 -5.836 8.253 -0.980 1.00 0.00 C ATOM 789 CG LEU A 52 -5.652 8.646 0.496 1.00 0.00 C ATOM 790 CD1 LEU A 52 -5.064 10.044 0.629 1.00 0.00 C ATOM 791 CD2 LEU A 52 -6.977 8.557 1.235 1.00 0.00 C ATOM 0 H LEU A 52 -4.596 10.160 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.810 7.576 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.442 9.017 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.403 7.323 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.949 7.944 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.947 10.291 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.091 10.078 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.732 10.766 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.831 8.838 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.697 9.233 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.354 7.536 1.184 1.00 0.00 H new ATOM 803 N ASP A 53 -5.175 7.804 -4.120 1.00 0.00 N ATOM 804 CA ASP A 53 -5.421 7.062 -5.353 1.00 0.00 C ATOM 805 C ASP A 53 -4.123 6.489 -5.898 1.00 0.00 C ATOM 806 O ASP A 53 -4.042 5.304 -6.220 1.00 0.00 O ATOM 807 CB ASP A 53 -6.083 7.948 -6.411 1.00 0.00 C ATOM 808 CG ASP A 53 -7.525 8.274 -6.082 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.360 7.344 -6.073 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.835 9.456 -5.833 1.00 0.00 O ATOM 0 H ASP A 53 -5.310 8.812 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.101 6.244 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.518 8.875 -6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.040 7.446 -7.378 1.00 0.00 H new ATOM 815 N ALA A 54 -3.102 7.335 -5.974 1.00 0.00 N ATOM 816 CA ALA A 54 -1.798 6.925 -6.476 1.00 0.00 C ATOM 817 C ALA A 54 -1.159 5.891 -5.557 1.00 0.00 C ATOM 818 O ALA A 54 -0.537 4.933 -6.018 1.00 0.00 O ATOM 819 CB ALA A 54 -0.888 8.133 -6.633 1.00 0.00 C ATOM 0 H ALA A 54 -3.154 8.314 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.940 6.465 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.083 7.811 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.334 8.836 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.759 8.620 -5.666 1.00 0.00 H new ATOM 825 N ARG A 55 -1.329 6.088 -4.255 1.00 0.00 N ATOM 826 CA ARG A 55 -0.812 5.163 -3.265 1.00 0.00 C ATOM 827 C ARG A 55 -1.513 3.820 -3.382 1.00 0.00 C ATOM 828 O ARG A 55 -0.869 2.782 -3.368 1.00 0.00 O ATOM 829 CB ARG A 55 -0.981 5.754 -1.862 1.00 0.00 C ATOM 830 CG ARG A 55 0.035 6.845 -1.556 1.00 0.00 C ATOM 831 CD ARG A 55 -0.336 7.644 -0.317 1.00 0.00 C ATOM 832 NE ARG A 55 -0.202 6.869 0.914 1.00 0.00 N ATOM 833 CZ ARG A 55 -0.074 7.420 2.121 1.00 0.00 C ATOM 834 NH1 ARG A 55 -0.030 8.741 2.246 1.00 0.00 N ATOM 835 NH2 ARG A 55 0.012 6.648 3.196 1.00 0.00 N ATOM 0 H ARG A 55 -1.825 6.888 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 55 0.251 5.003 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.987 6.162 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.886 4.958 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.018 6.395 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.112 7.517 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.299 8.528 -0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.364 7.995 -0.410 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.207 5.851 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.094 9.334 1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.068 9.163 3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.020 5.633 3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.110 7.069 4.120 1.00 0.00 H new ATOM 849 N GLU A 56 -2.830 3.849 -3.539 1.00 0.00 N ATOM 850 CA GLU A 56 -3.615 2.626 -3.676 1.00 0.00 C ATOM 851 C GLU A 56 -3.171 1.804 -4.885 1.00 0.00 C ATOM 852 O GLU A 56 -3.217 0.573 -4.856 1.00 0.00 O ATOM 853 CB GLU A 56 -5.105 2.956 -3.788 1.00 0.00 C ATOM 854 CG GLU A 56 -5.920 2.518 -2.582 1.00 0.00 C ATOM 855 CD GLU A 56 -5.990 1.011 -2.447 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.833 0.392 -3.133 1.00 0.00 O ATOM 857 OE2 GLU A 56 -5.204 0.440 -1.669 1.00 0.00 O ATOM 0 H GLU A 56 -3.380 4.708 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.446 2.027 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.221 4.031 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.508 2.478 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.482 2.941 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.930 2.920 -2.664 1.00 0.00 H new ATOM 864 N ASP A 57 -2.743 2.480 -5.942 1.00 0.00 N ATOM 865 CA ASP A 57 -2.259 1.794 -7.137 1.00 0.00 C ATOM 866 C ASP A 57 -0.920 1.131 -6.850 1.00 0.00 C ATOM 867 O ASP A 57 -0.680 -0.013 -7.227 1.00 0.00 O ATOM 868 CB ASP A 57 -2.124 2.774 -8.307 1.00 0.00 C ATOM 869 CG ASP A 57 -1.531 2.126 -9.550 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.141 1.182 -10.087 1.00 0.00 O ATOM 871 OD2 ASP A 57 -0.455 2.572 -10.008 1.00 0.00 O ATOM 0 H ASP A 57 -2.720 3.498 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.983 1.028 -7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.105 3.183 -8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.496 3.611 -8.004 1.00 0.00 H new ATOM 876 N LEU A 58 -0.069 1.855 -6.143 1.00 0.00 N ATOM 877 CA LEU A 58 1.250 1.357 -5.774 1.00 0.00 C ATOM 878 C LEU A 58 1.143 0.202 -4.779 1.00 0.00 C ATOM 879 O LEU A 58 1.807 -0.825 -4.926 1.00 0.00 O ATOM 880 CB LEU A 58 2.075 2.488 -5.161 1.00 0.00 C ATOM 881 CG LEU A 58 2.502 3.584 -6.136 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.189 4.719 -5.395 1.00 0.00 C ATOM 883 CD2 LEU A 58 3.421 3.012 -7.204 1.00 0.00 C ATOM 0 H LEU A 58 -0.268 2.798 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 58 1.741 0.989 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.496 2.944 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.969 2.060 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 58 1.611 3.982 -6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.486 5.490 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.502 5.145 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.073 4.337 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.717 3.804 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.309 2.590 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.897 2.231 -7.755 1.00 0.00 H new ATOM 895 N ILE A 59 0.284 0.378 -3.784 1.00 0.00 N ATOM 896 CA ILE A 59 0.123 -0.584 -2.701 1.00 0.00 C ATOM 897 C ILE A 59 -0.411 -1.914 -3.221 1.00 0.00 C ATOM 898 O ILE A 59 0.135 -2.973 -2.905 1.00 0.00 O ATOM 899 CB ILE A 59 -0.820 -0.026 -1.605 1.00 0.00 C ATOM 900 CG1 ILE A 59 -0.188 1.206 -0.945 1.00 0.00 C ATOM 901 CG2 ILE A 59 -1.127 -1.091 -0.561 1.00 0.00 C ATOM 902 CD1 ILE A 59 -1.177 2.073 -0.195 1.00 0.00 C ATOM 0 H ILE A 59 -0.323 1.194 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 59 1.107 -0.755 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.759 0.268 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.590 0.878 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.299 1.808 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.790 -0.676 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.611 -1.942 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.199 -1.419 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.656 2.924 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.942 2.432 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.647 1.488 0.596 1.00 0.00 H new ATOM 914 N LYS A 60 -1.459 -1.860 -4.036 1.00 0.00 N ATOM 915 CA LYS A 60 -2.049 -3.076 -4.574 1.00 0.00 C ATOM 916 C LYS A 60 -1.087 -3.772 -5.520 1.00 0.00 C ATOM 917 O LYS A 60 -0.893 -4.979 -5.430 1.00 0.00 O ATOM 918 CB LYS A 60 -3.364 -2.791 -5.297 1.00 0.00 C ATOM 919 CG LYS A 60 -4.511 -2.433 -4.367 1.00 0.00 C ATOM 920 CD LYS A 60 -5.847 -2.464 -5.093 1.00 0.00 C ATOM 921 CE LYS A 60 -5.950 -1.375 -6.150 1.00 0.00 C ATOM 922 NZ LYS A 60 -5.818 -0.022 -5.558 1.00 0.00 N ATOM 0 H LYS A 60 -1.912 -0.996 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.256 -3.732 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.211 -1.973 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.643 -3.667 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.534 -3.131 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.346 -1.440 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.981 -3.438 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.654 -2.345 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.173 -1.521 -6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.908 -1.456 -6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.109 0.692 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.424 0.049 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.828 0.143 -5.286 1.00 0.00 H new ATOM 936 N LYS A 61 -0.470 -3.000 -6.401 1.00 0.00 N ATOM 937 CA LYS A 61 0.403 -3.545 -7.429 1.00 0.00 C ATOM 938 C LYS A 61 1.649 -4.184 -6.820 1.00 0.00 C ATOM 939 O LYS A 61 2.090 -5.244 -7.263 1.00 0.00 O ATOM 940 CB LYS A 61 0.783 -2.430 -8.390 1.00 0.00 C ATOM 941 CG LYS A 61 0.608 -2.808 -9.841 1.00 0.00 C ATOM 942 CD LYS A 61 0.297 -1.591 -10.702 1.00 0.00 C ATOM 943 CE LYS A 61 1.313 -0.479 -10.501 1.00 0.00 C ATOM 944 NZ LYS A 61 0.980 0.724 -11.309 1.00 0.00 N ATOM 0 H LYS A 61 -0.559 -1.984 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.127 -4.330 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.175 -1.551 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.822 -2.149 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.516 -3.290 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.198 -3.536 -9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.282 -1.884 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.699 -1.220 -10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.353 -0.209 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.305 -0.838 -10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.856 1.157 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.380 0.448 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.470 1.410 -10.716 1.00 0.00 H new ATOM 958 N ALA A 62 2.213 -3.535 -5.810 1.00 0.00 N ATOM 959 CA ALA A 62 3.347 -4.094 -5.076 1.00 0.00 C ATOM 960 C ALA A 62 2.961 -5.402 -4.391 1.00 0.00 C ATOM 961 O ALA A 62 3.714 -6.378 -4.413 1.00 0.00 O ATOM 962 CB ALA A 62 3.862 -3.096 -4.052 1.00 0.00 C ATOM 0 H ALA A 62 1.906 -2.621 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 62 4.142 -4.304 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.706 -3.529 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.183 -2.186 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.067 -2.856 -3.346 1.00 0.00 H new ATOM 968 N ASP A 63 1.775 -5.418 -3.796 1.00 0.00 N ATOM 969 CA ASP A 63 1.261 -6.614 -3.134 1.00 0.00 C ATOM 970 C ASP A 63 0.945 -7.692 -4.166 1.00 0.00 C ATOM 971 O ASP A 63 1.116 -8.884 -3.916 1.00 0.00 O ATOM 972 CB ASP A 63 0.006 -6.270 -2.330 1.00 0.00 C ATOM 973 CG ASP A 63 -0.548 -7.456 -1.559 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.114 -7.910 -0.600 1.00 0.00 O ATOM 975 OD2 ASP A 63 -1.662 -7.917 -1.890 1.00 0.00 O ATOM 0 H ASP A 63 1.148 -4.614 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 63 2.023 -6.994 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.238 -5.466 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.761 -5.893 -3.007 1.00 0.00 H new ATOM 980 N GLU A 64 0.500 -7.252 -5.335 1.00 0.00 N ATOM 981 CA GLU A 64 0.209 -8.143 -6.450 1.00 0.00 C ATOM 982 C GLU A 64 1.484 -8.763 -7.003 1.00 0.00 C ATOM 983 O GLU A 64 1.466 -9.866 -7.546 1.00 0.00 O ATOM 984 CB GLU A 64 -0.522 -7.372 -7.551 1.00 0.00 C ATOM 985 CG GLU A 64 -2.004 -7.222 -7.301 1.00 0.00 C ATOM 986 CD GLU A 64 -2.693 -6.359 -8.336 1.00 0.00 C ATOM 987 OE1 GLU A 64 -2.795 -6.787 -9.504 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.151 -5.253 -7.983 1.00 0.00 O ATOM 0 H GLU A 64 0.330 -6.267 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.429 -8.950 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.076 -6.382 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.372 -7.883 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.467 -8.209 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.158 -6.788 -6.313 1.00 0.00 H new ATOM 995 N LYS A 65 2.589 -8.043 -6.874 1.00 0.00 N ATOM 996 CA LYS A 65 3.877 -8.549 -7.311 1.00 0.00 C ATOM 997 C LYS A 65 4.442 -9.501 -6.261 1.00 0.00 C ATOM 998 O LYS A 65 5.228 -10.395 -6.574 1.00 0.00 O ATOM 999 CB LYS A 65 4.845 -7.389 -7.577 1.00 0.00 C ATOM 1000 CG LYS A 65 6.141 -7.807 -8.258 1.00 0.00 C ATOM 1001 CD LYS A 65 5.883 -8.534 -9.572 1.00 0.00 C ATOM 1002 CE LYS A 65 5.095 -7.675 -10.552 1.00 0.00 C ATOM 1003 NZ LYS A 65 4.830 -8.389 -11.829 1.00 0.00 N ATOM 0 H LYS A 65 2.617 -7.107 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 65 3.747 -9.099 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.344 -6.646 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.084 -6.905 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.754 -6.925 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.710 -8.454 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.834 -8.818 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.335 -9.456 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.149 -7.381 -10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.648 -6.758 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.292 -7.770 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.733 -8.647 -12.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.280 -9.251 -11.637 1.00 0.00 H new ATOM 1017 N GLY A 66 4.018 -9.309 -5.016 1.00 0.00 N ATOM 1018 CA GLY A 66 4.410 -10.207 -3.947 1.00 0.00 C ATOM 1019 C GLY A 66 5.639 -9.731 -3.204 1.00 0.00 C ATOM 1020 O GLY A 66 6.511 -10.530 -2.859 1.00 0.00 O ATOM 0 H GLY A 66 3.408 -8.544 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.583 -10.311 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.602 -11.197 -4.362 1.00 0.00 H new ATOM 1024 N ALA A 67 5.715 -8.428 -2.970 1.00 0.00 N ATOM 1025 CA ALA A 67 6.833 -7.841 -2.238 1.00 0.00 C ATOM 1026 C ALA A 67 6.562 -7.866 -0.737 1.00 0.00 C ATOM 1027 O ALA A 67 5.414 -7.989 -0.309 1.00 0.00 O ATOM 1028 CB ALA A 67 7.082 -6.414 -2.705 1.00 0.00 C ATOM 0 H ALA A 67 5.014 -7.754 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 67 7.725 -8.434 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.919 -5.990 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.316 -6.415 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.189 -5.813 -2.531 1.00 0.00 H new ATOM 1034 N ASP A 68 7.623 -7.743 0.052 1.00 0.00 N ATOM 1035 CA ASP A 68 7.507 -7.765 1.505 1.00 0.00 C ATOM 1036 C ASP A 68 7.881 -6.409 2.100 1.00 0.00 C ATOM 1037 O ASP A 68 7.471 -6.067 3.203 1.00 0.00 O ATOM 1038 CB ASP A 68 8.386 -8.868 2.099 1.00 0.00 C ATOM 1039 CG ASP A 68 7.788 -10.255 1.935 1.00 0.00 C ATOM 1040 OD1 ASP A 68 6.868 -10.614 2.699 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.255 -11.005 1.056 1.00 0.00 O ATOM 0 H ASP A 68 8.576 -7.627 -0.292 1.00 0.00 H new ATOM 0 HA ASP A 68 6.468 -7.976 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.365 -8.842 1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.543 -8.669 3.159 1.00 0.00 H new ATOM 1046 N VAL A 69 8.683 -5.645 1.378 1.00 0.00 N ATOM 1047 CA VAL A 69 8.977 -4.270 1.767 1.00 0.00 C ATOM 1048 C VAL A 69 8.694 -3.339 0.600 1.00 0.00 C ATOM 1049 O VAL A 69 8.988 -3.678 -0.546 1.00 0.00 O ATOM 1050 CB VAL A 69 10.441 -4.090 2.234 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.767 -2.619 2.452 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.690 -4.868 3.513 1.00 0.00 C ATOM 0 H VAL A 69 9.143 -5.950 0.520 1.00 0.00 H new ATOM 0 HA VAL A 69 8.333 -4.024 2.612 1.00 0.00 H new ATOM 0 HB VAL A 69 11.092 -4.477 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.802 -2.520 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.628 -2.073 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.104 -2.209 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.725 -4.730 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.022 -4.506 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.502 -5.927 3.337 1.00 0.00 H new ATOM 1062 N VAL A 70 8.116 -2.178 0.876 1.00 0.00 N ATOM 1063 CA VAL A 70 7.866 -1.205 -0.171 1.00 0.00 C ATOM 1064 C VAL A 70 8.493 0.129 0.207 1.00 0.00 C ATOM 1065 O VAL A 70 8.510 0.506 1.382 1.00 0.00 O ATOM 1066 CB VAL A 70 6.353 -1.027 -0.446 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.770 -2.294 -1.050 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.599 -0.658 0.822 1.00 0.00 C ATOM 0 H VAL A 70 7.815 -1.891 1.807 1.00 0.00 H new ATOM 0 HA VAL A 70 8.321 -1.577 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 70 6.240 -0.209 -1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.706 -2.152 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.277 -2.516 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.909 -3.124 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.540 -0.540 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.725 -1.447 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.991 0.278 1.219 1.00 0.00 H new ATOM 1078 N VAL A 71 9.032 0.826 -0.779 1.00 0.00 N ATOM 1079 CA VAL A 71 9.676 2.109 -0.543 1.00 0.00 C ATOM 1080 C VAL A 71 9.299 3.106 -1.630 1.00 0.00 C ATOM 1081 O VAL A 71 9.496 2.845 -2.817 1.00 0.00 O ATOM 1082 CB VAL A 71 11.221 1.979 -0.493 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.872 3.335 -0.259 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.654 0.995 0.582 1.00 0.00 C ATOM 0 H VAL A 71 9.037 0.525 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 71 9.325 2.466 0.425 1.00 0.00 H new ATOM 0 HB VAL A 71 11.552 1.597 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.955 3.218 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.603 4.012 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.524 3.747 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.742 0.924 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.302 1.340 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.229 0.014 0.370 1.00 0.00 H new ATOM 1094 N LEU A 72 8.742 4.237 -1.228 1.00 0.00 N ATOM 1095 CA LEU A 72 8.443 5.304 -2.172 1.00 0.00 C ATOM 1096 C LEU A 72 9.739 5.983 -2.589 1.00 0.00 C ATOM 1097 O LEU A 72 10.231 6.883 -1.911 1.00 0.00 O ATOM 1098 CB LEU A 72 7.475 6.321 -1.563 1.00 0.00 C ATOM 1099 CG LEU A 72 6.114 5.754 -1.155 1.00 0.00 C ATOM 1100 CD1 LEU A 72 5.232 6.849 -0.575 1.00 0.00 C ATOM 1101 CD2 LEU A 72 5.428 5.090 -2.341 1.00 0.00 C ATOM 0 H LEU A 72 8.489 4.440 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 72 7.960 4.875 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.944 6.766 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.316 7.125 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 72 6.277 4.998 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.268 6.427 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.714 7.277 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.081 7.628 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.462 4.694 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.280 5.824 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.051 4.276 -2.712 1.00 0.00 H new ATOM 1113 N THR A 73 10.302 5.515 -3.690 1.00 0.00 N ATOM 1114 CA THR A 73 11.598 5.983 -4.148 1.00 0.00 C ATOM 1115 C THR A 73 11.470 7.329 -4.846 1.00 0.00 C ATOM 1116 O THR A 73 12.414 8.119 -4.892 1.00 0.00 O ATOM 1117 CB THR A 73 12.244 4.952 -5.099 1.00 0.00 C ATOM 1118 OG1 THR A 73 13.641 5.223 -5.260 1.00 0.00 O ATOM 1119 CG2 THR A 73 11.571 4.941 -6.465 1.00 0.00 C ATOM 0 H THR A 73 9.877 4.805 -4.287 1.00 0.00 H new ATOM 0 HA THR A 73 12.240 6.104 -3.275 1.00 0.00 H new ATOM 0 HB THR A 73 12.111 3.970 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.035 4.560 -5.864 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.056 4.202 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.518 4.686 -6.350 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.657 5.927 -6.921 1.00 0.00 H new ATOM 1127 N SER A 74 10.297 7.575 -5.396 1.00 0.00 N ATOM 1128 CA SER A 74 10.028 8.825 -6.084 1.00 0.00 C ATOM 1129 C SER A 74 8.562 9.229 -5.953 1.00 0.00 C ATOM 1130 O SER A 74 7.745 8.493 -5.395 1.00 0.00 O ATOM 1131 CB SER A 74 10.419 8.705 -7.553 1.00 0.00 C ATOM 1132 OG SER A 74 11.807 8.439 -7.686 1.00 0.00 O ATOM 0 H SER A 74 9.512 6.924 -5.380 1.00 0.00 H new ATOM 0 HA SER A 74 10.628 9.606 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.845 7.906 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.169 9.628 -8.077 1.00 0.00 H new ATOM 0 HG SER A 74 12.036 8.364 -8.636 1.00 0.00 H new ATOM 1138 N GLY A 75 8.241 10.392 -6.495 1.00 0.00 N ATOM 1139 CA GLY A 75 6.923 10.964 -6.359 1.00 0.00 C ATOM 1140 C GLY A 75 6.973 12.467 -6.539 1.00 0.00 C ATOM 1141 O GLY A 75 7.419 12.949 -7.579 1.00 0.00 O ATOM 0 H GLY A 75 8.889 10.961 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.252 10.526 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.516 10.723 -5.377 1.00 0.00 H new ATOM 1145 N GLN A 76 6.543 13.199 -5.518 1.00 0.00 N ATOM 1146 CA GLN A 76 6.583 14.662 -5.522 1.00 0.00 C ATOM 1147 C GLN A 76 6.465 15.198 -4.100 1.00 0.00 C ATOM 1148 O GLN A 76 7.463 15.316 -3.390 1.00 0.00 O ATOM 1149 CB GLN A 76 5.476 15.246 -6.409 1.00 0.00 C ATOM 1150 CG GLN A 76 5.923 15.524 -7.835 1.00 0.00 C ATOM 1151 CD GLN A 76 4.773 15.819 -8.775 1.00 0.00 C ATOM 1152 OE1 GLN A 76 3.735 16.342 -8.374 1.00 0.00 O ATOM 1153 NE2 GLN A 76 4.959 15.487 -10.040 1.00 0.00 N ATOM 0 H GLN A 76 6.157 12.798 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 76 7.542 14.972 -5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.635 14.553 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.115 16.173 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.610 16.370 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.478 14.664 -8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.836 15.055 -10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.225 15.663 -10.727 1.00 0.00 H new ATOM 1162 N THR A 77 5.247 15.494 -3.675 1.00 0.00 N ATOM 1163 CA THR A 77 5.006 15.951 -2.317 1.00 0.00 C ATOM 1164 C THR A 77 4.114 14.959 -1.580 1.00 0.00 C ATOM 1165 O THR A 77 4.599 14.069 -0.880 1.00 0.00 O ATOM 1166 CB THR A 77 4.359 17.354 -2.306 1.00 0.00 C ATOM 1167 OG1 THR A 77 3.244 17.389 -3.215 1.00 0.00 O ATOM 1168 CG2 THR A 77 5.369 18.424 -2.694 1.00 0.00 C ATOM 0 H THR A 77 4.409 15.426 -4.253 1.00 0.00 H new ATOM 0 HA THR A 77 5.967 16.017 -1.808 1.00 0.00 H new ATOM 0 HB THR A 77 4.011 17.559 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.838 18.281 -3.201 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.887 19.402 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.198 18.416 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.747 18.222 -3.696 1.00 0.00 H new ATOM 1176 N GLU A 78 2.817 15.104 -1.783 1.00 0.00 N ATOM 1177 CA GLU A 78 1.825 14.192 -1.242 1.00 0.00 C ATOM 1178 C GLU A 78 0.506 14.413 -1.958 1.00 0.00 C ATOM 1179 O GLU A 78 -0.003 13.518 -2.625 1.00 0.00 O ATOM 1180 CB GLU A 78 1.627 14.384 0.267 1.00 0.00 C ATOM 1181 CG GLU A 78 0.613 13.410 0.855 1.00 0.00 C ATOM 1182 CD GLU A 78 0.199 13.758 2.270 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -0.615 14.692 2.442 1.00 0.00 O ATOM 1184 OE2 GLU A 78 0.660 13.085 3.214 1.00 0.00 O ATOM 0 H GLU A 78 2.419 15.865 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 78 2.182 13.174 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.583 14.257 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.298 15.405 0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.272 13.390 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.036 12.405 0.844 1.00 0.00 H new ATOM 1191 N ASN A 79 -0.021 15.631 -1.833 1.00 0.00 N ATOM 1192 CA ASN A 79 -1.308 15.985 -2.423 1.00 0.00 C ATOM 1193 C ASN A 79 -1.278 15.782 -3.933 1.00 0.00 C ATOM 1194 O ASN A 79 -2.288 15.450 -4.550 1.00 0.00 O ATOM 1195 CB ASN A 79 -1.659 17.434 -2.090 1.00 0.00 C ATOM 1196 CG ASN A 79 -3.129 17.735 -2.293 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -3.544 18.198 -3.354 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -3.924 17.467 -1.270 1.00 0.00 N ATOM 0 H ASN A 79 0.429 16.392 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.073 15.332 -2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.388 17.641 -1.055 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.065 18.101 -2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.926 17.644 -1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.535 17.083 -0.409 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.114 15.996 -4.523 1.00 0.00 N ATOM 1206 CA LYS A 80 0.114 15.651 -5.912 1.00 0.00 C ATOM 1207 C LYS A 80 1.379 14.815 -5.998 1.00 0.00 C ATOM 1208 O LYS A 80 2.418 15.178 -5.444 1.00 0.00 O ATOM 1209 CB LYS A 80 0.238 16.907 -6.777 1.00 0.00 C ATOM 1210 CG LYS A 80 1.433 17.753 -6.410 1.00 0.00 C ATOM 1211 CD LYS A 80 1.328 19.182 -6.927 1.00 0.00 C ATOM 1212 CE LYS A 80 0.247 19.985 -6.208 1.00 0.00 C ATOM 1213 NZ LYS A 80 -1.129 19.643 -6.659 1.00 0.00 N ATOM 0 H LYS A 80 0.692 16.410 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.735 15.081 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.313 16.615 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.669 17.503 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.540 17.771 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.335 17.292 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.289 19.681 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.113 19.164 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.326 19.810 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.423 21.048 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.645 20.516 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.077 19.037 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.628 19.137 -5.899 1.00 0.00 H new ATOM 1227 N ILE A 81 1.273 13.682 -6.654 1.00 0.00 N ATOM 1228 CA ILE A 81 2.387 12.746 -6.745 1.00 0.00 C ATOM 1229 C ILE A 81 2.339 11.919 -8.025 1.00 0.00 C ATOM 1230 O ILE A 81 1.311 11.335 -8.368 1.00 0.00 O ATOM 1231 CB ILE A 81 2.431 11.759 -5.546 1.00 0.00 C ATOM 1232 CG1 ILE A 81 1.054 11.133 -5.313 1.00 0.00 C ATOM 1233 CG2 ILE A 81 2.935 12.434 -4.276 1.00 0.00 C ATOM 1234 CD1 ILE A 81 1.045 10.061 -4.244 1.00 0.00 C ATOM 0 H ILE A 81 0.427 13.379 -7.136 1.00 0.00 H new ATOM 0 HA ILE A 81 3.281 13.370 -6.739 1.00 0.00 H new ATOM 0 HB ILE A 81 3.137 10.968 -5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.351 11.918 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.697 10.703 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.951 11.710 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.942 12.816 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.273 13.260 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.036 9.664 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.722 9.256 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.370 10.490 -3.296 1.00 0.00 H new ATOM 1246 N HIS A 82 3.450 11.897 -8.742 1.00 0.00 N ATOM 1247 CA HIS A 82 3.679 10.872 -9.745 1.00 0.00 C ATOM 1248 C HIS A 82 4.593 9.838 -9.110 1.00 0.00 C ATOM 1249 O HIS A 82 5.811 9.885 -9.268 1.00 0.00 O ATOM 1250 CB HIS A 82 4.304 11.440 -11.025 1.00 0.00 C ATOM 1251 CG HIS A 82 4.430 10.425 -12.124 1.00 0.00 C ATOM 1252 ND1 HIS A 82 5.565 9.672 -12.332 1.00 0.00 N ATOM 1253 CD2 HIS A 82 3.546 10.033 -13.073 1.00 0.00 C ATOM 1254 CE1 HIS A 82 5.374 8.865 -13.360 1.00 0.00 C ATOM 1255 NE2 HIS A 82 4.157 9.062 -13.825 1.00 0.00 N ATOM 0 H HIS A 82 4.206 12.576 -8.648 1.00 0.00 H new ATOM 0 HA HIS A 82 2.730 10.431 -10.050 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.698 12.274 -11.378 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.291 11.839 -10.793 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.545 10.415 -13.212 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.094 8.162 -13.753 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.738 8.572 -14.615 1.00 0.00 H new ATOM 1264 N GLY A 83 3.995 8.943 -8.346 1.00 0.00 N ATOM 1265 CA GLY A 83 4.766 8.099 -7.463 1.00 0.00 C ATOM 1266 C GLY A 83 5.480 6.967 -8.156 1.00 0.00 C ATOM 1267 O GLY A 83 4.947 6.322 -9.063 1.00 0.00 O ATOM 0 H GLY A 83 2.988 8.785 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.501 8.713 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.102 7.684 -6.704 1.00 0.00 H new ATOM 1271 N THR A 84 6.702 6.747 -7.728 1.00 0.00 N ATOM 1272 CA THR A 84 7.445 5.567 -8.101 1.00 0.00 C ATOM 1273 C THR A 84 7.876 4.857 -6.828 1.00 0.00 C ATOM 1274 O THR A 84 8.247 5.500 -5.845 1.00 0.00 O ATOM 1275 CB THR A 84 8.689 5.909 -8.933 1.00 0.00 C ATOM 1276 OG1 THR A 84 8.398 6.978 -9.847 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.169 4.702 -9.718 1.00 0.00 C ATOM 0 H THR A 84 7.209 7.382 -7.111 1.00 0.00 H new ATOM 0 HA THR A 84 6.804 4.933 -8.714 1.00 0.00 H new ATOM 0 HB THR A 84 9.475 6.218 -8.243 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.199 7.188 -10.371 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.051 4.973 -10.298 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.421 3.896 -9.028 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.380 4.369 -10.392 1.00 0.00 H new ATOM 1285 N ALA A 85 7.843 3.549 -6.847 1.00 0.00 N ATOM 1286 CA ALA A 85 8.109 2.775 -5.652 1.00 0.00 C ATOM 1287 C ALA A 85 9.046 1.628 -5.961 1.00 0.00 C ATOM 1288 O ALA A 85 8.871 0.918 -6.948 1.00 0.00 O ATOM 1289 CB ALA A 85 6.810 2.260 -5.050 1.00 0.00 C ATOM 0 H ALA A 85 7.635 2.993 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 85 8.591 3.424 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.029 1.681 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.170 3.103 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.299 1.627 -5.775 1.00 0.00 H new ATOM 1295 N ASP A 86 10.036 1.452 -5.117 1.00 0.00 N ATOM 1296 CA ASP A 86 11.015 0.401 -5.302 1.00 0.00 C ATOM 1297 C ASP A 86 10.812 -0.635 -4.221 1.00 0.00 C ATOM 1298 O ASP A 86 10.941 -0.340 -3.030 1.00 0.00 O ATOM 1299 CB ASP A 86 12.423 0.984 -5.255 1.00 0.00 C ATOM 1300 CG ASP A 86 13.470 0.052 -5.822 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.309 -0.398 -6.976 1.00 0.00 O ATOM 1302 OD2 ASP A 86 14.488 -0.190 -5.139 1.00 0.00 O ATOM 0 H ASP A 86 10.187 2.027 -4.288 1.00 0.00 H new ATOM 0 HA ASP A 86 10.889 -0.070 -6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.440 1.921 -5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.677 1.221 -4.222 1.00 0.00 H new ATOM 1307 N ILE A 87 10.449 -1.831 -4.632 1.00 0.00 N ATOM 1308 CA ILE A 87 9.985 -2.830 -3.685 1.00 0.00 C ATOM 1309 C ILE A 87 10.996 -3.952 -3.480 1.00 0.00 C ATOM 1310 O ILE A 87 11.792 -4.275 -4.365 1.00 0.00 O ATOM 1311 CB ILE A 87 8.628 -3.425 -4.114 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.736 -4.096 -5.484 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.562 -2.339 -4.142 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.448 -4.738 -5.953 1.00 0.00 C ATOM 0 H ILE A 87 10.464 -2.136 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 87 9.862 -2.311 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 87 8.341 -4.182 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.049 -3.354 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.517 -4.856 -5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.609 -2.772 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.461 -1.902 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.851 -1.564 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.603 -5.193 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.143 -5.505 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.669 -3.979 -6.025 1.00 0.00 H new ATOM 1326 N TYR A 88 10.936 -4.553 -2.301 1.00 0.00 N ATOM 1327 CA TYR A 88 11.884 -5.577 -1.904 1.00 0.00 C ATOM 1328 C TYR A 88 11.161 -6.797 -1.352 1.00 0.00 C ATOM 1329 O TYR A 88 10.042 -6.710 -0.847 1.00 0.00 O ATOM 1330 CB TYR A 88 12.872 -5.016 -0.874 1.00 0.00 C ATOM 1331 CG TYR A 88 13.912 -4.093 -1.481 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.571 -2.822 -1.938 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.235 -4.500 -1.611 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.516 -1.988 -2.502 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.185 -3.668 -2.176 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.821 -2.415 -2.620 1.00 0.00 C ATOM 1337 OH TYR A 88 16.762 -1.583 -3.184 1.00 0.00 O ATOM 0 H TYR A 88 10.230 -4.343 -1.596 1.00 0.00 H new ATOM 0 HA TYR A 88 12.445 -5.890 -2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.318 -4.474 -0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.377 -5.844 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.549 -2.483 -1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.526 -5.481 -1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.234 -1.005 -2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.209 -3.999 -2.269 1.00 0.00 H new ATOM 0 HH TYR A 88 16.330 -1.000 -3.843 1.00 0.00 H new ATOM 1347 N LYS A 89 11.821 -7.926 -1.473 1.00 0.00 N ATOM 1348 CA LYS A 89 11.276 -9.214 -1.107 1.00 0.00 C ATOM 1349 C LYS A 89 12.230 -9.895 -0.129 1.00 0.00 C ATOM 1350 O LYS A 89 13.440 -9.817 -0.311 1.00 0.00 O ATOM 1351 CB LYS A 89 11.131 -10.040 -2.388 1.00 0.00 C ATOM 1352 CG LYS A 89 10.627 -11.448 -2.176 1.00 0.00 C ATOM 1353 CD LYS A 89 9.191 -11.423 -1.702 1.00 0.00 C ATOM 1354 CE LYS A 89 8.640 -12.811 -1.449 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.281 -12.743 -0.853 1.00 0.00 N ATOM 0 H LYS A 89 12.773 -7.976 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 89 10.303 -9.113 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.450 -9.522 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.099 -10.086 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.701 -12.012 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.251 -11.959 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.124 -10.836 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.574 -10.921 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.603 -13.368 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.307 -13.355 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.939 -13.706 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.318 -12.202 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.633 -12.274 -1.518 1.00 0.00 H new ATOM 1369 N LYS A 90 11.703 -10.537 0.907 1.00 0.00 N ATOM 1370 CA LYS A 90 12.556 -11.141 1.923 1.00 0.00 C ATOM 1371 C LYS A 90 13.307 -12.340 1.363 1.00 0.00 C ATOM 1372 O LYS A 90 12.888 -12.957 0.379 1.00 0.00 O ATOM 1373 CB LYS A 90 11.728 -11.537 3.145 1.00 0.00 C ATOM 1374 CG LYS A 90 10.723 -12.636 2.877 1.00 0.00 C ATOM 1375 CD LYS A 90 9.501 -12.480 3.768 1.00 0.00 C ATOM 1376 CE LYS A 90 8.397 -13.452 3.391 1.00 0.00 C ATOM 1377 NZ LYS A 90 7.073 -13.020 3.917 1.00 0.00 N ATOM 0 H LYS A 90 10.702 -10.652 1.065 1.00 0.00 H new ATOM 0 HA LYS A 90 13.295 -10.402 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.402 -11.860 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.200 -10.658 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.421 -12.611 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.185 -13.608 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.787 -12.641 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.126 -11.459 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.345 -13.539 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.637 -14.442 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.403 -13.814 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.175 -12.717 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.715 -12.227 3.347 1.00 0.00 H new ATOM 1391 N LYS A 91 14.423 -12.653 1.990 1.00 0.00 N ATOM 1392 CA LYS A 91 15.288 -13.729 1.534 1.00 0.00 C ATOM 1393 C LYS A 91 14.955 -15.037 2.229 1.00 0.00 C ATOM 1394 O LYS A 91 14.068 -15.103 3.080 1.00 0.00 O ATOM 1395 CB LYS A 91 16.754 -13.394 1.799 1.00 0.00 C ATOM 1396 CG LYS A 91 17.333 -12.318 0.898 1.00 0.00 C ATOM 1397 CD LYS A 91 18.769 -12.015 1.290 1.00 0.00 C ATOM 1398 CE LYS A 91 19.472 -11.131 0.273 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.892 -10.888 0.648 1.00 0.00 N ATOM 0 H LYS A 91 14.757 -12.173 2.826 1.00 0.00 H new ATOM 0 HA LYS A 91 15.123 -13.840 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.858 -13.075 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.346 -14.302 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.294 -12.645 -0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.731 -11.412 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.782 -11.525 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.319 -12.950 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.430 -11.601 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.948 -10.179 0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.346 -10.295 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.930 -10.402 1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.393 -11.797 0.716 1.00 0.00 H new ATOM 1413 N LEU A 92 15.705 -16.064 1.868 1.00 0.00 N ATOM 1414 CA LEU A 92 15.581 -17.373 2.483 1.00 0.00 C ATOM 1415 C LEU A 92 16.838 -17.665 3.295 1.00 0.00 C ATOM 1416 O LEU A 92 17.091 -18.796 3.704 1.00 0.00 O ATOM 1417 CB LEU A 92 15.359 -18.465 1.423 1.00 0.00 C ATOM 1418 CG LEU A 92 16.506 -18.704 0.423 1.00 0.00 C ATOM 1419 CD1 LEU A 92 16.366 -20.075 -0.213 1.00 0.00 C ATOM 1420 CD2 LEU A 92 16.530 -17.641 -0.670 1.00 0.00 C ATOM 0 H LEU A 92 16.417 -16.013 1.140 1.00 0.00 H new ATOM 0 HA LEU A 92 14.712 -17.373 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.157 -19.404 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.462 -18.213 0.857 1.00 0.00 H new ATOM 0 HG LEU A 92 17.442 -18.646 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.182 -20.234 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.402 -20.841 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.414 -20.136 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.352 -17.843 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.588 -17.661 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.667 -16.658 -0.219 1.00 0.00 H new ATOM 1432 N GLU A 93 17.618 -16.615 3.529 1.00 0.00 N ATOM 1433 CA GLU A 93 18.874 -16.728 4.262 1.00 0.00 C ATOM 1434 C GLU A 93 18.673 -16.399 5.735 1.00 0.00 C ATOM 1435 O GLU A 93 19.635 -16.139 6.460 1.00 0.00 O ATOM 1436 CB GLU A 93 19.920 -15.780 3.676 1.00 0.00 C ATOM 1437 CG GLU A 93 20.182 -15.985 2.196 1.00 0.00 C ATOM 1438 CD GLU A 93 21.336 -15.139 1.702 1.00 0.00 C ATOM 1439 OE1 GLU A 93 22.494 -15.577 1.842 1.00 0.00 O ATOM 1440 OE2 GLU A 93 21.095 -14.029 1.190 1.00 0.00 O ATOM 0 H GLU A 93 17.400 -15.668 3.219 1.00 0.00 H new ATOM 0 HA GLU A 93 19.222 -17.757 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.594 -14.752 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.856 -15.907 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 93 20.397 -17.037 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.283 -15.738 1.631 1.00 0.00 H new