USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 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 Single : A 32 TYR OH : rot 180:sc= -0.0355 USER MOD Single : A 34 TYR OH : rot 40:sc= 0.861 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.69 K(o=-1.7,f=-0.63) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -130:sc= -1.29 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 128:sc= 1.52 USER MOD Single : A 76 ASN : amide:sc= -14.5! C(o=-14!,f=-20!) USER MOD Single : A 77 TYR OH : rot 14:sc= 0.682 USER MOD Single : A 83 SER OG : rot -51:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.472 -8.654 -15.438 1.00 0.00 N ATOM 324 CA ILE A 26 -2.647 -7.473 -15.623 1.00 0.00 C ATOM 325 C ILE A 26 -1.572 -7.429 -14.535 1.00 0.00 C ATOM 326 O ILE A 26 -1.849 -7.043 -13.400 1.00 0.00 O ATOM 327 CB ILE A 26 -3.517 -6.216 -15.679 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.248 -6.113 -17.020 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.690 -4.963 -15.381 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.336 -5.527 -18.098 1.00 0.00 C ATOM 0 HA ILE A 26 -2.128 -7.518 -16.581 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.278 -6.293 -14.902 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.592 -7.101 -17.327 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.134 -5.487 -16.908 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.332 -4.084 -15.427 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.255 -5.043 -14.385 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.893 -4.869 -16.119 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.880 -5.465 -19.040 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.013 -4.530 -17.799 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.464 -6.168 -18.224 1.00 0.00 H new ATOM 342 N ILE A 27 -0.370 -7.832 -14.918 1.00 0.00 N ATOM 343 CA ILE A 27 0.746 -7.844 -13.990 1.00 0.00 C ATOM 344 C ILE A 27 1.418 -6.469 -13.987 1.00 0.00 C ATOM 345 O ILE A 27 1.763 -5.941 -15.044 1.00 0.00 O ATOM 346 CB ILE A 27 1.702 -8.994 -14.315 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.929 -10.270 -14.654 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.702 -9.215 -13.178 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.324 -10.896 -13.396 1.00 0.00 C ATOM 0 H ILE A 27 -0.145 -8.153 -15.860 1.00 0.00 H new ATOM 0 HA ILE A 27 0.394 -8.029 -12.975 1.00 0.00 H new ATOM 0 HB ILE A 27 2.277 -8.720 -15.200 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.137 -10.041 -15.367 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.595 -10.986 -15.136 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.369 -10.038 -13.435 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.287 -8.308 -13.026 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.164 -9.457 -12.262 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.220 -11.801 -13.666 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.120 -11.146 -12.695 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.360 -10.187 -12.930 1.00 0.00 H new ATOM 361 N VAL A 28 1.583 -5.929 -12.789 1.00 0.00 N ATOM 362 CA VAL A 28 2.206 -4.625 -12.636 1.00 0.00 C ATOM 363 C VAL A 28 3.203 -4.675 -11.476 1.00 0.00 C ATOM 364 O VAL A 28 2.883 -5.175 -10.399 1.00 0.00 O ATOM 365 CB VAL A 28 1.133 -3.550 -12.455 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.206 -3.491 -13.672 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.337 -3.778 -11.169 1.00 0.00 C ATOM 0 H VAL A 28 1.296 -6.370 -11.915 1.00 0.00 H new ATOM 0 HA VAL A 28 2.764 -4.360 -13.534 1.00 0.00 H new ATOM 0 HB VAL A 28 1.636 -2.587 -12.369 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.548 -2.719 -13.518 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.789 -3.256 -14.563 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.284 -4.456 -13.803 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.419 -2.999 -11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.150 -4.753 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.011 -3.745 -10.313 1.00 0.00 H new ATOM 377 N VAL A 29 4.391 -4.148 -11.735 1.00 0.00 N ATOM 378 CA VAL A 29 5.436 -4.126 -10.727 1.00 0.00 C ATOM 379 C VAL A 29 5.375 -2.802 -9.963 1.00 0.00 C ATOM 380 O VAL A 29 5.181 -1.745 -10.561 1.00 0.00 O ATOM 381 CB VAL A 29 6.798 -4.378 -11.378 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.358 -3.092 -11.991 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.783 -4.982 -10.375 1.00 0.00 C ATOM 0 H VAL A 29 4.653 -3.733 -12.629 1.00 0.00 H new ATOM 0 HA VAL A 29 5.284 -4.926 -10.003 1.00 0.00 H new ATOM 0 HB VAL A 29 6.656 -5.099 -12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.326 -3.298 -12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.670 -2.722 -12.751 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.477 -2.339 -11.212 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.742 -5.151 -10.864 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.918 -4.296 -9.539 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.392 -5.930 -10.007 1.00 0.00 H new ATOM 393 N ALA A 30 5.541 -2.904 -8.652 1.00 0.00 N ATOM 394 CA ALA A 30 5.506 -1.726 -7.801 1.00 0.00 C ATOM 395 C ALA A 30 6.724 -0.849 -8.102 1.00 0.00 C ATOM 396 O ALA A 30 7.863 -1.295 -7.970 1.00 0.00 O ATOM 397 CB ALA A 30 5.448 -2.160 -6.335 1.00 0.00 C ATOM 0 H ALA A 30 5.700 -3.783 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 30 4.615 -1.132 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.422 -1.278 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.551 -2.757 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.330 -2.755 -6.097 1.00 0.00 H new ATOM 403 N LEU A 31 6.441 0.383 -8.499 1.00 0.00 N ATOM 404 CA LEU A 31 7.499 1.327 -8.819 1.00 0.00 C ATOM 405 C LEU A 31 8.085 1.889 -7.522 1.00 0.00 C ATOM 406 O LEU A 31 9.164 2.478 -7.529 1.00 0.00 O ATOM 407 CB LEU A 31 6.983 2.402 -9.777 1.00 0.00 C ATOM 408 CG LEU A 31 6.616 1.926 -11.184 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.111 3.089 -12.042 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.789 1.198 -11.841 1.00 0.00 C ATOM 0 H LEU A 31 5.495 0.749 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 31 8.312 0.826 -9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.103 2.866 -9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.743 3.178 -9.864 1.00 0.00 H new ATOM 0 HG LEU A 31 5.799 1.209 -11.099 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.857 2.724 -13.037 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.226 3.525 -11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.890 3.847 -12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.501 0.871 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.642 1.873 -11.913 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.062 0.331 -11.240 1.00 0.00 H new ATOM 422 N TYR A 32 7.347 1.686 -6.440 1.00 0.00 N ATOM 423 CA TYR A 32 7.780 2.165 -5.138 1.00 0.00 C ATOM 424 C TYR A 32 7.076 1.405 -4.013 1.00 0.00 C ATOM 425 O TYR A 32 5.946 0.949 -4.179 1.00 0.00 O ATOM 426 CB TYR A 32 7.374 3.639 -5.075 1.00 0.00 C ATOM 427 CG TYR A 32 7.402 4.351 -6.428 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.587 4.867 -6.913 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.242 4.478 -7.166 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.614 5.537 -8.188 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.268 5.148 -8.440 1.00 0.00 C ATOM 432 CZ TYR A 32 7.453 5.645 -8.888 1.00 0.00 C ATOM 433 OH TYR A 32 7.477 6.277 -10.092 1.00 0.00 O ATOM 0 H TYR A 32 6.452 1.196 -6.438 1.00 0.00 H new ATOM 0 HA TYR A 32 8.853 2.022 -5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.369 3.711 -4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.041 4.160 -4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.495 4.768 -6.336 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.315 4.074 -6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.535 5.944 -8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.368 5.254 -9.027 1.00 0.00 H new ATOM 0 HH TYR A 32 6.577 6.278 -10.479 1.00 0.00 H new ATOM 443 N ASP A 33 7.772 1.293 -2.892 1.00 0.00 N ATOM 444 CA ASP A 33 7.228 0.597 -1.738 1.00 0.00 C ATOM 445 C ASP A 33 5.907 1.251 -1.330 1.00 0.00 C ATOM 446 O ASP A 33 5.730 2.458 -1.494 1.00 0.00 O ATOM 447 CB ASP A 33 8.183 0.676 -0.546 1.00 0.00 C ATOM 448 CG ASP A 33 7.518 0.543 0.826 1.00 0.00 C ATOM 449 OD1 ASP A 33 6.939 -0.538 1.073 1.00 0.00 O ATOM 450 OD2 ASP A 33 7.603 1.523 1.596 1.00 0.00 O ATOM 0 H ASP A 33 8.709 1.673 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 33 7.081 -0.447 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.932 -0.109 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.712 1.628 -0.586 1.00 0.00 H new ATOM 455 N TYR A 34 5.012 0.427 -0.806 1.00 0.00 N ATOM 456 CA TYR A 34 3.712 0.909 -0.373 1.00 0.00 C ATOM 457 C TYR A 34 3.179 0.078 0.795 1.00 0.00 C ATOM 458 O TYR A 34 3.180 -1.152 0.737 1.00 0.00 O ATOM 459 CB TYR A 34 2.778 0.740 -1.573 1.00 0.00 C ATOM 460 CG TYR A 34 1.379 1.321 -1.360 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.169 2.680 -1.486 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.326 0.487 -1.040 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.147 3.227 -1.285 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.990 1.034 -0.840 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.163 2.377 -0.972 1.00 0.00 C ATOM 466 OH TYR A 34 -2.406 2.893 -0.782 1.00 0.00 O ATOM 0 H TYR A 34 5.162 -0.573 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 34 3.779 1.944 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.230 1.218 -2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.688 -0.322 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.993 3.333 -1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.490 -0.576 -0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.324 4.288 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.822 0.392 -0.591 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.573 3.595 -1.445 1.00 0.00 H new ATOM 476 N GLU A 35 2.736 0.780 1.827 1.00 0.00 N ATOM 477 CA GLU A 35 2.200 0.122 3.006 1.00 0.00 C ATOM 478 C GLU A 35 0.778 0.610 3.288 1.00 0.00 C ATOM 479 O GLU A 35 0.502 1.144 4.362 1.00 0.00 O ATOM 480 CB GLU A 35 3.106 0.345 4.218 1.00 0.00 C ATOM 481 CG GLU A 35 3.796 -0.956 4.635 1.00 0.00 C ATOM 482 CD GLU A 35 3.980 -1.017 6.152 1.00 0.00 C ATOM 483 OE1 GLU A 35 2.958 -0.858 6.855 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.138 -1.221 6.576 1.00 0.00 O ATOM 0 H GLU A 35 2.737 1.799 1.871 1.00 0.00 H new ATOM 0 HA GLU A 35 2.163 -0.950 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.857 1.099 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.517 0.731 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.204 -1.809 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.766 -1.031 4.144 1.00 0.00 H new ATOM 491 N ALA A 36 -0.088 0.410 2.305 1.00 0.00 N ATOM 492 CA ALA A 36 -1.475 0.824 2.434 1.00 0.00 C ATOM 493 C ALA A 36 -1.535 2.173 3.153 1.00 0.00 C ATOM 494 O ALA A 36 -1.674 2.224 4.375 1.00 0.00 O ATOM 495 CB ALA A 36 -2.266 -0.262 3.165 1.00 0.00 C ATOM 0 H ALA A 36 0.144 -0.033 1.416 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.930 0.953 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.306 0.048 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.216 -1.192 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.840 -0.417 4.156 1.00 0.00 H new ATOM 569 N ASP A 41 -6.840 -0.620 0.772 1.00 0.00 N ATOM 570 CA ASP A 41 -5.692 -0.669 -0.119 1.00 0.00 C ATOM 571 C ASP A 41 -4.763 -1.804 0.317 1.00 0.00 C ATOM 572 O ASP A 41 -4.751 -2.188 1.486 1.00 0.00 O ATOM 573 CB ASP A 41 -4.899 0.638 -0.067 1.00 0.00 C ATOM 574 CG ASP A 41 -5.591 1.841 -0.710 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.335 2.526 0.024 1.00 0.00 O ATOM 576 OD2 ASP A 41 -5.362 2.048 -1.921 1.00 0.00 O ATOM 0 HA ASP A 41 -6.058 -0.828 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.686 0.875 0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.940 0.483 -0.561 1.00 0.00 H new ATOM 581 N LEU A 42 -4.006 -2.309 -0.647 1.00 0.00 N ATOM 582 CA LEU A 42 -3.076 -3.392 -0.378 1.00 0.00 C ATOM 583 C LEU A 42 -1.668 -2.819 -0.209 1.00 0.00 C ATOM 584 O LEU A 42 -1.355 -1.760 -0.750 1.00 0.00 O ATOM 585 CB LEU A 42 -3.177 -4.467 -1.462 1.00 0.00 C ATOM 586 CG LEU A 42 -2.500 -5.803 -1.148 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.400 -6.682 -0.279 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.069 -6.514 -2.431 1.00 0.00 C ATOM 0 H LEU A 42 -4.018 -1.988 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.332 -3.890 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.232 -4.655 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.744 -4.070 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.596 -5.602 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.895 -7.625 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.613 -6.169 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.334 -6.879 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.591 -7.461 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.944 -6.703 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.365 -5.886 -2.976 1.00 0.00 H new ATOM 600 N SER A 43 -0.854 -3.544 0.544 1.00 0.00 N ATOM 601 CA SER A 43 0.513 -3.122 0.790 1.00 0.00 C ATOM 602 C SER A 43 1.485 -4.004 0.004 1.00 0.00 C ATOM 603 O SER A 43 1.306 -5.220 -0.067 1.00 0.00 O ATOM 604 CB SER A 43 0.844 -3.169 2.284 1.00 0.00 C ATOM 605 OG SER A 43 0.621 -4.462 2.839 1.00 0.00 O ATOM 0 H SER A 43 -1.116 -4.422 0.992 1.00 0.00 H new ATOM 0 HA SER A 43 0.617 -2.090 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.886 -2.885 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.234 -2.437 2.814 1.00 0.00 H new ATOM 0 HG SER A 43 0.845 -4.452 3.793 1.00 0.00 H new ATOM 611 N PHE A 44 2.491 -3.359 -0.567 1.00 0.00 N ATOM 612 CA PHE A 44 3.491 -4.071 -1.346 1.00 0.00 C ATOM 613 C PHE A 44 4.864 -3.409 -1.212 1.00 0.00 C ATOM 614 O PHE A 44 5.042 -2.499 -0.403 1.00 0.00 O ATOM 615 CB PHE A 44 3.046 -4.007 -2.809 1.00 0.00 C ATOM 616 CG PHE A 44 2.570 -2.623 -3.254 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.467 -1.713 -3.723 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.250 -2.301 -3.181 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.024 -0.429 -4.138 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.809 -1.017 -3.594 1.00 0.00 C ATOM 621 CZ PHE A 44 1.705 -0.108 -4.064 1.00 0.00 C ATOM 0 H PHE A 44 2.636 -2.351 -0.506 1.00 0.00 H new ATOM 0 HA PHE A 44 3.578 -5.098 -0.992 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.876 -4.316 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.240 -4.725 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.515 -1.967 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.538 -3.023 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.735 0.293 -4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.239 -0.761 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.369 0.869 -4.378 1.00 0.00 H new ATOM 631 N GLN A 45 5.798 -3.889 -2.018 1.00 0.00 N ATOM 632 CA GLN A 45 7.149 -3.355 -2.001 1.00 0.00 C ATOM 633 C GLN A 45 7.610 -3.029 -3.423 1.00 0.00 C ATOM 634 O GLN A 45 7.083 -3.576 -4.390 1.00 0.00 O ATOM 635 CB GLN A 45 8.114 -4.328 -1.321 1.00 0.00 C ATOM 636 CG GLN A 45 7.955 -4.287 0.200 1.00 0.00 C ATOM 637 CD GLN A 45 8.626 -5.496 0.855 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.610 -5.382 1.566 1.00 0.00 O ATOM 639 NE2 GLN A 45 8.039 -6.656 0.577 1.00 0.00 N ATOM 0 H GLN A 45 5.646 -4.643 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 45 7.146 -2.432 -1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.930 -5.340 -1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.140 -4.075 -1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.393 -3.368 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.896 -4.270 0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.217 -6.680 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.411 -7.522 0.967 1.00 0.00 H new ATOM 648 N LYS A 46 8.589 -2.140 -3.505 1.00 0.00 N ATOM 649 CA LYS A 46 9.126 -1.736 -4.792 1.00 0.00 C ATOM 650 C LYS A 46 9.777 -2.942 -5.471 1.00 0.00 C ATOM 651 O LYS A 46 10.891 -3.330 -5.122 1.00 0.00 O ATOM 652 CB LYS A 46 10.069 -0.542 -4.628 1.00 0.00 C ATOM 653 CG LYS A 46 10.499 0.009 -5.990 1.00 0.00 C ATOM 654 CD LYS A 46 11.922 0.568 -5.930 1.00 0.00 C ATOM 655 CE LYS A 46 12.694 0.241 -7.209 1.00 0.00 C ATOM 656 NZ LYS A 46 14.067 -0.205 -6.886 1.00 0.00 N ATOM 0 H LYS A 46 9.024 -1.688 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 46 8.325 -1.394 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.573 0.241 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.949 -0.844 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.446 -0.781 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.809 0.793 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.886 1.648 -5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.444 0.151 -5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.174 -0.538 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.733 1.120 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.577 -0.423 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.566 0.550 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.024 -1.057 -6.291 1.00 0.00 H new ATOM 670 N GLY A 47 9.052 -3.504 -6.429 1.00 0.00 N ATOM 671 CA GLY A 47 9.545 -4.659 -7.160 1.00 0.00 C ATOM 672 C GLY A 47 8.600 -5.852 -7.001 1.00 0.00 C ATOM 673 O GLY A 47 8.891 -6.947 -7.479 1.00 0.00 O ATOM 0 H GLY A 47 8.128 -3.181 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.647 -4.409 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.538 -4.926 -6.798 1.00 0.00 H new ATOM 677 N ASP A 48 7.488 -5.599 -6.327 1.00 0.00 N ATOM 678 CA ASP A 48 6.498 -6.639 -6.099 1.00 0.00 C ATOM 679 C ASP A 48 5.512 -6.664 -7.269 1.00 0.00 C ATOM 680 O ASP A 48 5.109 -5.615 -7.768 1.00 0.00 O ATOM 681 CB ASP A 48 5.704 -6.372 -4.818 1.00 0.00 C ATOM 682 CG ASP A 48 5.473 -7.599 -3.934 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.713 -8.716 -4.439 1.00 0.00 O ATOM 684 OD2 ASP A 48 5.059 -7.391 -2.773 1.00 0.00 O ATOM 0 H ASP A 48 7.250 -4.689 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 48 7.023 -7.590 -6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.228 -5.616 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.736 -5.951 -5.089 1.00 0.00 H new ATOM 689 N GLN A 49 5.154 -7.874 -7.672 1.00 0.00 N ATOM 690 CA GLN A 49 4.223 -8.050 -8.774 1.00 0.00 C ATOM 691 C GLN A 49 2.836 -8.419 -8.244 1.00 0.00 C ATOM 692 O GLN A 49 2.709 -9.273 -7.368 1.00 0.00 O ATOM 693 CB GLN A 49 4.733 -9.105 -9.759 1.00 0.00 C ATOM 694 CG GLN A 49 6.118 -8.733 -10.292 1.00 0.00 C ATOM 695 CD GLN A 49 6.131 -8.722 -11.822 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.705 -9.581 -12.470 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.470 -7.701 -12.360 1.00 0.00 N ATOM 0 H GLN A 49 5.491 -8.742 -7.256 1.00 0.00 H new ATOM 0 HA GLN A 49 4.145 -7.105 -9.312 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.778 -10.076 -9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.033 -9.201 -10.589 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.405 -7.751 -9.915 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.857 -9.445 -9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.011 -7.017 -11.759 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.422 -7.602 -13.374 1.00 0.00 H new ATOM 706 N MET A 50 1.831 -7.757 -8.797 1.00 0.00 N ATOM 707 CA MET A 50 0.458 -8.005 -8.390 1.00 0.00 C ATOM 708 C MET A 50 -0.424 -8.319 -9.601 1.00 0.00 C ATOM 709 O MET A 50 -0.180 -7.817 -10.697 1.00 0.00 O ATOM 710 CB MET A 50 -0.090 -6.775 -7.665 1.00 0.00 C ATOM 711 CG MET A 50 0.815 -6.380 -6.497 1.00 0.00 C ATOM 712 SD MET A 50 0.416 -4.729 -5.947 1.00 0.00 S ATOM 713 CE MET A 50 1.912 -3.876 -6.417 1.00 0.00 C ATOM 0 H MET A 50 1.940 -7.049 -9.523 1.00 0.00 H new ATOM 0 HA MET A 50 0.447 -8.866 -7.722 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.172 -5.943 -8.364 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.095 -6.983 -7.297 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.691 -7.086 -5.676 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.860 -6.428 -6.804 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.832 -2.824 -6.144 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.762 -4.321 -5.901 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.056 -3.961 -7.494 1.00 0.00 H new ATOM 723 N VAL A 51 -1.431 -9.146 -9.362 1.00 0.00 N ATOM 724 CA VAL A 51 -2.350 -9.532 -10.418 1.00 0.00 C ATOM 725 C VAL A 51 -3.568 -8.606 -10.392 1.00 0.00 C ATOM 726 O VAL A 51 -4.514 -8.840 -9.643 1.00 0.00 O ATOM 727 CB VAL A 51 -2.720 -11.010 -10.276 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.952 -11.351 -11.117 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.538 -11.909 -10.646 1.00 0.00 C ATOM 0 H VAL A 51 -1.630 -9.560 -8.451 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.878 -9.421 -11.394 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.967 -11.194 -9.230 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.193 -12.407 -10.998 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.797 -10.747 -10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.745 -11.142 -12.167 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.828 -12.954 -10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.246 -11.720 -11.679 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.697 -11.694 -9.986 1.00 0.00 H new ATOM 739 N VAL A 52 -3.504 -7.574 -11.220 1.00 0.00 N ATOM 740 CA VAL A 52 -4.590 -6.611 -11.301 1.00 0.00 C ATOM 741 C VAL A 52 -5.870 -7.329 -11.734 1.00 0.00 C ATOM 742 O VAL A 52 -5.936 -7.878 -12.833 1.00 0.00 O ATOM 743 CB VAL A 52 -4.202 -5.463 -12.237 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.445 -4.737 -12.756 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.249 -4.490 -11.542 1.00 0.00 C ATOM 0 H VAL A 52 -2.717 -7.383 -11.841 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.781 -6.166 -10.324 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.680 -5.889 -13.094 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.143 -3.926 -13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.074 -5.438 -13.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.005 -4.329 -11.915 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.988 -3.684 -12.228 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.734 -4.073 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.344 -5.019 -11.243 1.00 0.00 H new ATOM 755 N LEU A 53 -6.854 -7.301 -10.848 1.00 0.00 N ATOM 756 CA LEU A 53 -8.129 -7.943 -11.126 1.00 0.00 C ATOM 757 C LEU A 53 -9.139 -6.886 -11.579 1.00 0.00 C ATOM 758 O LEU A 53 -9.745 -7.017 -12.641 1.00 0.00 O ATOM 759 CB LEU A 53 -8.593 -8.757 -9.917 1.00 0.00 C ATOM 760 CG LEU A 53 -7.503 -9.528 -9.169 1.00 0.00 C ATOM 761 CD1 LEU A 53 -7.997 -9.982 -7.794 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.986 -10.699 -10.008 1.00 0.00 C ATOM 0 H LEU A 53 -6.795 -6.845 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.026 -8.658 -11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.080 -8.081 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.349 -9.468 -10.251 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.662 -8.855 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.203 -10.527 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.277 -9.111 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.864 -10.632 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.212 -11.230 -9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.808 -11.380 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.569 -10.321 -10.942 1.00 0.00 H new ATOM 774 N GLU A 54 -9.287 -5.862 -10.751 1.00 0.00 N ATOM 775 CA GLU A 54 -10.212 -4.783 -11.054 1.00 0.00 C ATOM 776 C GLU A 54 -9.455 -3.465 -11.223 1.00 0.00 C ATOM 777 O GLU A 54 -8.496 -3.200 -10.501 1.00 0.00 O ATOM 778 CB GLU A 54 -11.287 -4.663 -9.972 1.00 0.00 C ATOM 779 CG GLU A 54 -12.529 -5.477 -10.338 1.00 0.00 C ATOM 780 CD GLU A 54 -13.049 -5.090 -11.724 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.321 -3.884 -11.912 1.00 0.00 O ATOM 782 OE2 GLU A 54 -13.162 -6.008 -12.565 1.00 0.00 O ATOM 0 H GLU A 54 -8.782 -5.757 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.713 -5.014 -11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.888 -5.010 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.560 -3.616 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.290 -6.540 -10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.308 -5.312 -9.594 1.00 0.00 H new ATOM 822 N GLU A 58 -7.872 4.608 -11.235 1.00 0.00 N ATOM 823 CA GLU A 58 -6.516 4.784 -10.744 1.00 0.00 C ATOM 824 C GLU A 58 -6.081 3.559 -9.936 1.00 0.00 C ATOM 825 O GLU A 58 -5.237 2.784 -10.383 1.00 0.00 O ATOM 826 CB GLU A 58 -6.396 6.062 -9.911 1.00 0.00 C ATOM 827 CG GLU A 58 -7.116 7.228 -10.589 1.00 0.00 C ATOM 828 CD GLU A 58 -6.320 7.738 -11.792 1.00 0.00 C ATOM 829 OE1 GLU A 58 -5.326 7.066 -12.143 1.00 0.00 O ATOM 830 OE2 GLU A 58 -6.724 8.790 -12.336 1.00 0.00 O ATOM 0 HA GLU A 58 -5.850 4.885 -11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.819 5.896 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.344 6.312 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.107 6.910 -10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.259 8.038 -9.873 1.00 0.00 H new ATOM 837 N TRP A 59 -6.677 3.423 -8.761 1.00 0.00 N ATOM 838 CA TRP A 59 -6.362 2.306 -7.886 1.00 0.00 C ATOM 839 C TRP A 59 -7.009 1.050 -8.473 1.00 0.00 C ATOM 840 O TRP A 59 -8.173 1.074 -8.867 1.00 0.00 O ATOM 841 CB TRP A 59 -6.806 2.593 -6.450 1.00 0.00 C ATOM 842 CG TRP A 59 -6.295 3.923 -5.894 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.744 5.156 -6.163 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.214 4.104 -4.957 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.034 6.117 -5.471 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.073 5.456 -4.714 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.381 3.158 -4.333 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.110 5.983 -3.846 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.423 3.701 -3.468 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.270 5.060 -3.214 1.00 0.00 C ATOM 0 H TRP A 59 -7.377 4.068 -8.394 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.285 2.149 -7.831 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.895 2.589 -6.410 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.460 1.785 -5.805 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.560 5.372 -6.837 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.186 7.125 -5.508 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.473 2.096 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.020 7.045 -3.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.757 3.017 -2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.506 5.401 -2.532 1.00 0.00 H new ATOM 861 N TRP A 60 -6.224 -0.017 -8.513 1.00 0.00 N ATOM 862 CA TRP A 60 -6.705 -1.280 -9.045 1.00 0.00 C ATOM 863 C TRP A 60 -6.605 -2.329 -7.935 1.00 0.00 C ATOM 864 O TRP A 60 -5.740 -2.237 -7.065 1.00 0.00 O ATOM 865 CB TRP A 60 -5.937 -1.671 -10.308 1.00 0.00 C ATOM 866 CG TRP A 60 -5.723 -0.518 -11.289 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.503 0.554 -11.485 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.619 -0.362 -12.206 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.985 1.386 -12.457 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.803 0.811 -12.909 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.501 -1.184 -12.433 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.910 1.268 -13.886 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.619 -0.714 -13.413 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.790 0.465 -14.129 1.00 0.00 C ATOM 0 H TRP A 60 -5.258 -0.032 -8.185 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.747 -1.197 -9.353 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.966 -2.074 -10.020 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.476 -2.471 -10.816 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.422 0.743 -10.950 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.394 2.261 -12.783 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.336 -2.105 -11.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.077 2.190 -14.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.744 -1.309 -13.628 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.062 0.760 -14.870 1.00 0.00 H new ATOM 885 N LYS A 61 -7.502 -3.302 -8.002 1.00 0.00 N ATOM 886 CA LYS A 61 -7.526 -4.367 -7.013 1.00 0.00 C ATOM 887 C LYS A 61 -6.715 -5.556 -7.532 1.00 0.00 C ATOM 888 O LYS A 61 -7.219 -6.364 -8.309 1.00 0.00 O ATOM 889 CB LYS A 61 -8.967 -4.721 -6.642 1.00 0.00 C ATOM 890 CG LYS A 61 -9.006 -5.835 -5.594 1.00 0.00 C ATOM 891 CD LYS A 61 -10.019 -6.916 -5.979 1.00 0.00 C ATOM 892 CE LYS A 61 -10.686 -7.510 -4.737 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.153 -7.566 -4.914 1.00 0.00 N ATOM 0 H LYS A 61 -8.217 -3.375 -8.725 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.055 -4.038 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.475 -3.837 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.509 -5.037 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.016 -6.279 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.268 -5.416 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.778 -6.491 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.518 -7.705 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.298 -8.512 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.442 -6.907 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.590 -7.972 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.521 -6.606 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.381 -8.160 -5.736 1.00 0.00 H new ATOM 907 N ALA A 62 -5.472 -5.625 -7.080 1.00 0.00 N ATOM 908 CA ALA A 62 -4.585 -6.702 -7.488 1.00 0.00 C ATOM 909 C ALA A 62 -4.229 -7.554 -6.268 1.00 0.00 C ATOM 910 O ALA A 62 -4.500 -7.164 -5.134 1.00 0.00 O ATOM 911 CB ALA A 62 -3.348 -6.114 -8.170 1.00 0.00 C ATOM 0 H ALA A 62 -5.057 -4.953 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.078 -7.352 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.683 -6.921 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.653 -5.543 -9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.826 -5.458 -7.474 1.00 0.00 H new ATOM 917 N ARG A 63 -3.626 -8.701 -6.543 1.00 0.00 N ATOM 918 CA ARG A 63 -3.230 -9.611 -5.482 1.00 0.00 C ATOM 919 C ARG A 63 -1.709 -9.770 -5.460 1.00 0.00 C ATOM 920 O ARG A 63 -1.101 -10.105 -6.476 1.00 0.00 O ATOM 921 CB ARG A 63 -3.878 -10.986 -5.665 1.00 0.00 C ATOM 922 CG ARG A 63 -3.051 -12.076 -4.980 1.00 0.00 C ATOM 923 CD ARG A 63 -2.259 -12.889 -6.006 1.00 0.00 C ATOM 924 NE ARG A 63 -3.187 -13.607 -6.910 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.795 -14.342 -7.959 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.491 -14.461 -8.244 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.708 -14.957 -8.724 1.00 0.00 N ATOM 0 H ARG A 63 -3.402 -9.021 -7.485 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.568 -9.186 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.886 -10.975 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.972 -11.209 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.366 -11.622 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.709 -12.737 -4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.613 -12.229 -6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.611 -13.602 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.187 -13.537 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.797 -13.992 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.193 -15.021 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.700 -14.865 -8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.410 -15.517 -9.523 1.00 0.00 H new ATOM 941 N SER A 64 -1.137 -9.525 -4.290 1.00 0.00 N ATOM 942 CA SER A 64 0.303 -9.637 -4.123 1.00 0.00 C ATOM 943 C SER A 64 0.756 -11.066 -4.430 1.00 0.00 C ATOM 944 O SER A 64 0.176 -12.026 -3.925 1.00 0.00 O ATOM 945 CB SER A 64 0.724 -9.239 -2.707 1.00 0.00 C ATOM 946 OG SER A 64 1.381 -7.975 -2.681 1.00 0.00 O ATOM 0 H SER A 64 -1.644 -9.250 -3.449 1.00 0.00 H new ATOM 0 HA SER A 64 0.784 -8.953 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.155 -9.204 -2.064 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.388 -10.001 -2.298 1.00 0.00 H new ATOM 0 HG SER A 64 1.632 -7.756 -1.759 1.00 0.00 H new ATOM 952 N LEU A 65 1.786 -11.160 -5.257 1.00 0.00 N ATOM 953 CA LEU A 65 2.324 -12.456 -5.637 1.00 0.00 C ATOM 954 C LEU A 65 3.362 -12.895 -4.604 1.00 0.00 C ATOM 955 O LEU A 65 4.130 -13.827 -4.847 1.00 0.00 O ATOM 956 CB LEU A 65 2.861 -12.413 -7.069 1.00 0.00 C ATOM 957 CG LEU A 65 1.822 -12.587 -8.180 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.790 -11.458 -8.147 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.498 -12.706 -9.547 1.00 0.00 C ATOM 0 H LEU A 65 2.263 -10.361 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 65 1.537 -13.210 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.367 -11.459 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.614 -13.194 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 65 1.285 -13.519 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.064 -11.605 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.277 -11.462 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.293 -10.501 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.738 -12.829 -10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.076 -11.804 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.162 -13.570 -9.551 1.00 0.00 H new ATOM 971 N ALA A 66 3.354 -12.206 -3.473 1.00 0.00 N ATOM 972 CA ALA A 66 4.287 -12.513 -2.402 1.00 0.00 C ATOM 973 C ALA A 66 3.511 -13.041 -1.192 1.00 0.00 C ATOM 974 O ALA A 66 4.055 -13.788 -0.379 1.00 0.00 O ATOM 975 CB ALA A 66 5.110 -11.268 -2.067 1.00 0.00 C ATOM 0 H ALA A 66 2.716 -11.435 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 66 4.985 -13.290 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.809 -11.499 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.664 -10.950 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.444 -10.466 -1.748 1.00 0.00 H new ATOM 981 N THR A 67 2.254 -12.634 -1.113 1.00 0.00 N ATOM 982 CA THR A 67 1.398 -13.057 -0.017 1.00 0.00 C ATOM 983 C THR A 67 0.001 -13.404 -0.535 1.00 0.00 C ATOM 984 O THR A 67 -0.929 -13.585 0.250 1.00 0.00 O ATOM 985 CB THR A 67 1.396 -11.947 1.037 1.00 0.00 C ATOM 986 OG1 THR A 67 0.936 -10.798 0.331 1.00 0.00 O ATOM 987 CG2 THR A 67 2.807 -11.567 1.489 1.00 0.00 C ATOM 0 H THR A 67 1.807 -12.016 -1.790 1.00 0.00 H new ATOM 0 HA THR A 67 1.774 -13.968 0.449 1.00 0.00 H new ATOM 0 HB THR A 67 0.812 -12.267 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.544 -10.048 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.749 -10.776 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.298 -12.439 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.381 -11.215 0.632 1.00 0.00 H new ATOM 995 N ARG A 68 -0.103 -13.488 -1.853 1.00 0.00 N ATOM 996 CA ARG A 68 -1.371 -13.811 -2.485 1.00 0.00 C ATOM 997 C ARG A 68 -2.496 -12.975 -1.874 1.00 0.00 C ATOM 998 O ARG A 68 -3.663 -13.365 -1.922 1.00 0.00 O ATOM 999 CB ARG A 68 -1.704 -15.296 -2.324 1.00 0.00 C ATOM 1000 CG ARG A 68 -2.011 -15.634 -0.864 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.774 -16.956 -0.757 1.00 0.00 C ATOM 1002 NE ARG A 68 -3.568 -16.983 0.491 1.00 0.00 N ATOM 1003 CZ ARG A 68 -4.567 -17.845 0.727 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -4.897 -18.757 -0.196 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -5.234 -17.795 1.889 1.00 0.00 N ATOM 0 H ARG A 68 0.670 -13.338 -2.501 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.280 -13.583 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.561 -15.550 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.866 -15.900 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.081 -15.700 -0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.600 -14.833 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.431 -17.077 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.074 -17.791 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.341 -16.303 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.388 -18.796 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.657 -19.413 -0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.981 -17.101 2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.994 -18.451 2.069 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.109 -11.838 -1.313 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.072 -10.943 -0.693 1.00 0.00 C ATOM 1021 C LYS A 69 -3.975 -10.344 -1.774 1.00 0.00 C ATOM 1022 O LYS A 69 -3.787 -10.608 -2.961 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.355 -9.894 0.159 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.037 -10.444 1.552 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.059 -9.530 2.292 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.197 -9.692 3.807 1.00 0.00 C ATOM 1027 NZ LYS A 69 -0.121 -8.955 4.507 1.00 0.00 N ATOM 0 H LYS A 69 -1.142 -11.516 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.717 -11.492 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.433 -9.588 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.979 -9.005 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.957 -10.540 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.611 -11.443 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.038 -9.763 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.245 -8.492 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.170 -9.322 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.154 -10.749 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.229 -9.075 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.804 -9.327 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.181 -7.944 4.269 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.934 -9.549 -1.325 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.866 -8.911 -2.238 1.00 0.00 C ATOM 1043 C GLU A 70 -6.329 -7.567 -1.672 1.00 0.00 C ATOM 1044 O GLU A 70 -6.740 -7.486 -0.515 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.059 -9.823 -2.530 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.745 -10.787 -3.677 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.856 -11.825 -3.841 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.888 -11.461 -4.448 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.650 -12.959 -3.358 1.00 0.00 O ATOM 0 H GLU A 70 -5.086 -9.332 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.351 -8.728 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.316 -10.389 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.929 -9.219 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.626 -10.227 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.798 -11.291 -3.484 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.248 -6.547 -2.513 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.653 -5.211 -2.110 1.00 0.00 C ATOM 1058 C GLY A 71 -6.353 -4.191 -3.211 1.00 0.00 C ATOM 1059 O GLY A 71 -5.687 -4.511 -4.193 1.00 0.00 O ATOM 0 H GLY A 71 -5.908 -6.619 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.719 -5.203 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.130 -4.929 -1.196 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.860 -2.984 -3.009 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.655 -1.915 -3.972 1.00 0.00 C ATOM 1065 C TYR A 72 -5.236 -1.352 -3.871 1.00 0.00 C ATOM 1066 O TYR A 72 -4.722 -1.147 -2.771 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.655 -0.817 -3.603 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.110 -1.172 -3.913 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.432 -1.788 -5.106 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.101 -0.878 -3.000 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.801 -2.122 -5.397 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.472 -1.211 -3.291 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.754 -1.818 -4.475 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.048 -2.133 -4.750 1.00 0.00 O ATOM 0 H TYR A 72 -7.412 -2.722 -2.193 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.794 -2.282 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.564 -0.599 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.392 0.095 -4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.656 -2.019 -5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.849 -0.398 -2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.066 -2.603 -6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.258 -0.984 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.618 -1.858 -4.001 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.642 -1.117 -5.031 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.293 -0.580 -5.087 1.00 0.00 C ATOM 1086 C ILE A 73 -3.249 0.576 -6.088 1.00 0.00 C ATOM 1087 O ILE A 73 -4.035 0.614 -7.033 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.287 -1.693 -5.389 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.664 -2.443 -6.668 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.138 -2.636 -4.194 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.525 -2.397 -7.688 1.00 0.00 C ATOM 0 H ILE A 73 -5.070 -1.289 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.004 -0.173 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.313 -1.235 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.901 -3.480 -6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.562 -2.002 -7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.418 -3.418 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.788 -2.074 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.103 -3.089 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.820 -2.938 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.307 -1.360 -7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.636 -2.860 -7.261 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.297 1.515 -5.839 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.141 2.670 -6.708 1.00 0.00 C ATOM 1105 C PRO A 74 -1.462 2.280 -8.022 1.00 0.00 C ATOM 1106 O PRO A 74 -0.503 1.510 -8.025 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.332 3.667 -5.894 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.671 2.862 -4.787 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.349 1.503 -4.730 1.00 0.00 C ATOM 0 HA PRO A 74 -3.095 3.102 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.586 4.164 -6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.973 4.446 -5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.395 2.749 -4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.767 3.377 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.625 0.695 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.856 1.353 -3.777 1.00 0.00 H new ATOM 1117 N SER A 75 -1.987 2.829 -9.108 1.00 0.00 N ATOM 1118 CA SER A 75 -1.444 2.548 -10.426 1.00 0.00 C ATOM 1119 C SER A 75 -0.207 3.414 -10.677 1.00 0.00 C ATOM 1120 O SER A 75 0.686 3.023 -11.427 1.00 0.00 O ATOM 1121 CB SER A 75 -2.491 2.788 -11.516 1.00 0.00 C ATOM 1122 OG SER A 75 -1.895 3.174 -12.752 1.00 0.00 O ATOM 0 H SER A 75 -2.783 3.467 -9.102 1.00 0.00 H new ATOM 0 HA SER A 75 -1.157 1.497 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.076 1.880 -11.663 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.183 3.564 -11.189 1.00 0.00 H new ATOM 0 HG SER A 75 -2.232 2.600 -13.471 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.196 4.573 -10.037 1.00 0.00 N ATOM 1129 CA ASN A 76 0.916 5.497 -10.182 1.00 0.00 C ATOM 1130 C ASN A 76 2.137 4.937 -9.452 1.00 0.00 C ATOM 1131 O ASN A 76 3.229 5.499 -9.539 1.00 0.00 O ATOM 1132 CB ASN A 76 0.583 6.860 -9.570 1.00 0.00 C ATOM 1133 CG ASN A 76 0.648 6.806 -8.043 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.637 5.750 -7.432 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.718 8.000 -7.461 1.00 0.00 N ATOM 0 H ASN A 76 -0.939 4.894 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 76 1.117 5.619 -11.246 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.282 7.610 -9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.414 7.170 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.767 8.070 -6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.723 8.846 -8.031 1.00 0.00 H new ATOM 1142 N TYR A 77 1.914 3.838 -8.749 1.00 0.00 N ATOM 1143 CA TYR A 77 2.984 3.195 -8.004 1.00 0.00 C ATOM 1144 C TYR A 77 3.323 1.827 -8.600 1.00 0.00 C ATOM 1145 O TYR A 77 4.127 1.084 -8.040 1.00 0.00 O ATOM 1146 CB TYR A 77 2.450 3.000 -6.583 1.00 0.00 C ATOM 1147 CG TYR A 77 3.052 3.958 -5.554 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.099 5.312 -5.818 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.550 3.469 -4.363 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.667 6.215 -4.849 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.116 4.372 -3.395 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.147 5.699 -3.686 1.00 0.00 C ATOM 1153 OH TYR A 77 4.683 6.552 -2.772 1.00 0.00 O ATOM 0 H TYR A 77 1.008 3.375 -8.679 1.00 0.00 H new ATOM 0 HA TYR A 77 3.889 3.802 -8.032 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.367 3.127 -6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.648 1.975 -6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.710 5.695 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.515 2.409 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.710 7.277 -5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.507 4.003 -2.458 1.00 0.00 H new ATOM 0 HH TYR A 77 4.443 7.473 -3.004 1.00 0.00 H new ATOM 1163 N VAL A 78 2.693 1.538 -9.729 1.00 0.00 N ATOM 1164 CA VAL A 78 2.918 0.273 -10.408 1.00 0.00 C ATOM 1165 C VAL A 78 3.234 0.539 -11.882 1.00 0.00 C ATOM 1166 O VAL A 78 3.098 1.666 -12.356 1.00 0.00 O ATOM 1167 CB VAL A 78 1.712 -0.648 -10.213 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.287 -0.689 -8.744 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.548 -0.225 -11.110 1.00 0.00 C ATOM 0 H VAL A 78 2.027 2.158 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 78 3.777 -0.243 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 78 2.009 -1.656 -10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.428 -1.350 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.112 -1.060 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.017 0.315 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.296 -0.896 -10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.252 0.795 -10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.858 -0.272 -12.154 1.00 0.00 H new ATOM 1179 N ALA A 79 3.650 -0.517 -12.565 1.00 0.00 N ATOM 1180 CA ALA A 79 3.986 -0.412 -13.974 1.00 0.00 C ATOM 1181 C ALA A 79 3.901 -1.796 -14.619 1.00 0.00 C ATOM 1182 O ALA A 79 4.705 -2.677 -14.318 1.00 0.00 O ATOM 1183 CB ALA A 79 5.374 0.215 -14.123 1.00 0.00 C ATOM 0 H ALA A 79 3.762 -1.450 -12.168 1.00 0.00 H new ATOM 0 HA ALA A 79 3.278 0.237 -14.489 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.626 0.294 -15.181 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.374 1.209 -13.675 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.112 -0.410 -13.620 1.00 0.00 H new ATOM 1189 N ARG A 80 2.918 -1.946 -15.496 1.00 0.00 N ATOM 1190 CA ARG A 80 2.717 -3.208 -16.187 1.00 0.00 C ATOM 1191 C ARG A 80 4.064 -3.825 -16.568 1.00 0.00 C ATOM 1192 O ARG A 80 4.977 -3.118 -16.991 1.00 0.00 O ATOM 1193 CB ARG A 80 1.875 -3.017 -17.450 1.00 0.00 C ATOM 1194 CG ARG A 80 0.406 -3.354 -17.186 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.217 -4.067 -18.388 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.334 -3.262 -18.931 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.041 -3.595 -20.019 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.750 -4.719 -20.688 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.038 -2.805 -20.439 1.00 0.00 N ATOM 0 H ARG A 80 2.252 -1.214 -15.743 1.00 0.00 H new ATOM 0 HA ARG A 80 2.186 -3.876 -15.509 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.959 -1.986 -17.795 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.260 -3.652 -18.248 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.327 -3.987 -16.302 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.148 -2.440 -16.973 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.537 -4.224 -19.159 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.578 -5.051 -18.090 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.581 -2.399 -18.446 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.991 -5.320 -20.369 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.288 -4.973 -21.517 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.259 -1.949 -19.930 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.576 -3.059 -21.268 1.00 0.00 H new ATOM 1213 N VAL A 81 4.145 -5.137 -16.405 1.00 0.00 N ATOM 1214 CA VAL A 81 5.365 -5.858 -16.727 1.00 0.00 C ATOM 1215 C VAL A 81 5.666 -5.701 -18.219 1.00 0.00 C ATOM 1216 O VAL A 81 6.828 -5.671 -18.622 1.00 0.00 O ATOM 1217 CB VAL A 81 5.240 -7.320 -16.293 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.860 -8.213 -17.475 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.530 -7.808 -15.631 1.00 0.00 C ATOM 0 H VAL A 81 3.385 -5.720 -16.054 1.00 0.00 H new ATOM 0 HA VAL A 81 6.210 -5.442 -16.179 1.00 0.00 H new ATOM 0 HB VAL A 81 4.440 -7.382 -15.555 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.778 -9.247 -17.139 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.904 -7.888 -17.884 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.627 -8.142 -18.246 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.414 -8.850 -15.332 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.356 -7.723 -16.337 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.740 -7.200 -14.751 1.00 0.00 H new ATOM 1229 N ASP A 82 4.599 -5.606 -18.999 1.00 0.00 N ATOM 1230 CA ASP A 82 4.735 -5.453 -20.437 1.00 0.00 C ATOM 1231 C ASP A 82 4.866 -3.968 -20.777 1.00 0.00 C ATOM 1232 O ASP A 82 4.766 -3.583 -21.941 1.00 0.00 O ATOM 1233 CB ASP A 82 3.505 -5.998 -21.167 1.00 0.00 C ATOM 1234 CG ASP A 82 3.800 -6.708 -22.489 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.339 -7.834 -22.420 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.480 -6.109 -23.539 1.00 0.00 O ATOM 0 H ASP A 82 3.637 -5.632 -18.662 1.00 0.00 H new ATOM 0 HA ASP A 82 5.618 -6.008 -20.753 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.987 -6.693 -20.506 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.820 -5.172 -21.360 1.00 0.00 H new ATOM 1241 N SER A 83 5.089 -3.174 -19.741 1.00 0.00 N ATOM 1242 CA SER A 83 5.237 -1.739 -19.915 1.00 0.00 C ATOM 1243 C SER A 83 6.623 -1.293 -19.445 1.00 0.00 C ATOM 1244 O SER A 83 6.798 -0.157 -19.006 1.00 0.00 O ATOM 1245 CB SER A 83 4.148 -0.977 -19.156 1.00 0.00 C ATOM 1246 OG SER A 83 4.108 0.401 -19.519 1.00 0.00 O ATOM 0 H SER A 83 5.171 -3.497 -18.777 1.00 0.00 H new ATOM 0 HA SER A 83 5.131 -1.511 -20.976 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.179 -1.433 -19.358 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.325 -1.064 -18.084 1.00 0.00 H new ATOM 0 HG SER A 83 5.006 0.785 -19.444 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.558 11.058 -5.224 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.831 11.429 -6.428 1.00 0.00 C ATOM 1380 C PRO B 124 -4.442 10.787 -6.449 1.00 0.00 C ATOM 1381 O PRO B 124 -3.437 11.482 -6.584 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.784 12.948 -6.405 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.074 13.354 -4.970 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.627 12.138 -4.245 1.00 0.00 C ATOM 0 HA PRO B 124 -6.313 11.072 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.808 13.313 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.521 13.372 -7.087 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.166 13.709 -4.483 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.792 14.174 -4.943 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.039 11.905 -3.357 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.652 12.307 -3.914 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.432 9.470 -6.312 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.183 8.728 -6.314 1.00 0.00 C ATOM 1394 C LEU B 125 -2.300 9.220 -5.165 1.00 0.00 C ATOM 1395 O LEU B 125 -2.405 10.371 -4.747 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.511 8.812 -7.685 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.080 7.895 -8.770 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.755 8.430 -10.166 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.596 6.456 -8.580 1.00 0.00 C ATOM 0 H LEU B 125 -5.269 8.897 -6.199 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.370 7.668 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.576 9.842 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.452 8.583 -7.563 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.166 7.885 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.171 7.760 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.189 9.423 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.674 8.489 -10.290 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.015 5.825 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.508 6.428 -8.634 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -2.920 6.089 -7.606 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.428 8.298 -4.675 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.529 8.626 -3.583 1.00 0.00 C ATOM 1413 C PRO B 126 0.623 9.509 -4.068 1.00 0.00 C ATOM 1414 O PRO B 126 0.833 9.658 -5.271 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.061 7.286 -3.041 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.346 6.271 -4.137 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.277 6.924 -5.146 1.00 0.00 C ATOM 0 HA PRO B 126 -1.014 9.209 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.002 7.312 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.590 7.029 -2.123 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.581 5.959 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.805 5.375 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.856 6.894 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.238 6.412 -5.188 1.00 0.00 H new ATOM 1425 N PRO B 127 1.359 10.088 -3.081 1.00 0.00 N ATOM 1426 CA PRO B 127 2.484 10.952 -3.395 1.00 0.00 C ATOM 1427 C PRO B 127 3.690 10.135 -3.863 1.00 0.00 C ATOM 1428 O PRO B 127 4.191 9.285 -3.128 1.00 0.00 O ATOM 1429 CB PRO B 127 2.752 11.729 -2.116 1.00 0.00 C ATOM 1430 CG PRO B 127 2.077 10.944 -1.003 1.00 0.00 C ATOM 1431 CD PRO B 127 1.140 9.935 -1.645 1.00 0.00 C ATOM 0 HA PRO B 127 2.275 11.631 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.822 11.824 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.349 12.740 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.821 10.437 -0.389 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.523 11.614 -0.345 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.365 8.920 -1.316 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.102 10.134 -1.379 1.00 0.00 H new ATOM 1439 N LEU B 128 4.122 10.421 -5.082 1.00 0.00 N ATOM 1440 CA LEU B 128 5.259 9.723 -5.656 1.00 0.00 C ATOM 1441 C LEU B 128 6.504 10.005 -4.812 1.00 0.00 C ATOM 1442 O LEU B 128 6.788 11.156 -4.483 1.00 0.00 O ATOM 1443 CB LEU B 128 5.423 10.087 -7.133 1.00 0.00 C ATOM 1444 CG LEU B 128 4.688 9.189 -8.130 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.450 7.881 -8.356 1.00 0.00 C ATOM 1446 CD2 LEU B 128 3.244 8.941 -7.685 1.00 0.00 C ATOM 0 H LEU B 128 3.705 11.127 -5.688 1.00 0.00 H new ATOM 0 HA LEU B 128 5.094 8.646 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.079 11.112 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.486 10.071 -7.375 1.00 0.00 H new ATOM 0 HG LEU B 128 4.646 9.707 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.906 7.261 -9.069 1.00 0.00 H new ATOM 0 HD12 LEU B 128 6.442 8.101 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.546 7.348 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU B 128 2.744 8.300 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU B 128 3.242 8.454 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU B 128 2.716 9.892 -7.617 1.00 0.00 H new ATOM 1458 N PRO B 129 7.233 8.906 -4.477 1.00 0.00 N ATOM 1459 CA PRO B 129 8.440 9.025 -3.678 1.00 0.00 C ATOM 1460 C PRO B 129 9.597 9.581 -4.512 1.00 0.00 C ATOM 1461 O PRO B 129 10.483 10.249 -3.981 1.00 0.00 O ATOM 1462 CB PRO B 129 8.704 7.622 -3.155 1.00 0.00 C ATOM 1463 CG PRO B 129 7.910 6.686 -4.052 1.00 0.00 C ATOM 1464 CD PRO B 129 6.927 7.528 -4.849 1.00 0.00 C ATOM 0 HA PRO B 129 8.332 9.729 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.768 7.386 -3.189 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.389 7.527 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.576 6.141 -4.721 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.381 5.943 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.049 7.371 -5.921 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.896 7.271 -4.604 1.00 0.00 H new