USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 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 Set 1.1: A 64 SER OG : rot 180:sc= 0.22 USER MOD Set 1.2: A 67 THR OG1 : rot -140:sc= -1.15 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 45:sc= 0.686 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0.387 (180deg=0.318) USER MOD Single : A 49 GLN : amide:sc= -2.01 K(o=-2,f=-0.75) USER MOD Single : A 50 MET CE :methyl 180:sc=-0.00505 (180deg=-0.00505) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 1.46 USER MOD Single : A 76 ASN : amide:sc= -7.24! C(o=-7.2!,f=-14!) USER MOD Single : A 77 TYR OH : rot 14:sc= 0.188 USER MOD Single : A 83 SER OG : rot -47:sc= 0.463 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.403 -8.576 -15.474 1.00 0.00 N ATOM 324 CA ILE A 26 -2.614 -7.366 -15.633 1.00 0.00 C ATOM 325 C ILE A 26 -1.553 -7.305 -14.532 1.00 0.00 C ATOM 326 O ILE A 26 -1.823 -6.827 -13.431 1.00 0.00 O ATOM 327 CB ILE A 26 -3.522 -6.136 -15.681 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.228 -6.028 -17.034 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.743 -4.865 -15.338 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.323 -5.361 -18.073 1.00 0.00 C ATOM 0 HA ILE A 26 -2.085 -7.380 -16.586 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.296 -6.253 -14.922 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.514 -7.022 -17.380 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.147 -5.452 -16.924 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.412 -4.006 -15.380 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.327 -4.953 -14.334 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.934 -4.730 -16.055 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.849 -5.297 -19.026 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.059 -4.359 -17.736 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.416 -5.952 -18.199 1.00 0.00 H new ATOM 342 N ILE A 27 -0.369 -7.796 -14.868 1.00 0.00 N ATOM 343 CA ILE A 27 0.733 -7.803 -13.921 1.00 0.00 C ATOM 344 C ILE A 27 1.410 -6.432 -13.923 1.00 0.00 C ATOM 345 O ILE A 27 1.754 -5.906 -14.980 1.00 0.00 O ATOM 346 CB ILE A 27 1.688 -8.961 -14.219 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.916 -10.256 -14.481 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.718 -9.125 -13.100 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.212 -10.740 -13.212 1.00 0.00 C ATOM 0 H ILE A 27 -0.149 -8.191 -15.782 1.00 0.00 H new ATOM 0 HA ILE A 27 0.365 -7.976 -12.910 1.00 0.00 H new ATOM 0 HB ILE A 27 2.237 -8.724 -15.130 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.181 -10.092 -15.269 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.600 -11.026 -14.838 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.384 -9.955 -13.337 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.300 -8.208 -13.004 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.205 -9.329 -12.160 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.329 -11.662 -13.425 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.952 -10.926 -12.434 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.489 -9.978 -12.872 1.00 0.00 H new ATOM 361 N VAL A 28 1.582 -5.890 -12.726 1.00 0.00 N ATOM 362 CA VAL A 28 2.212 -4.590 -12.575 1.00 0.00 C ATOM 363 C VAL A 28 3.214 -4.644 -11.421 1.00 0.00 C ATOM 364 O VAL A 28 2.877 -5.079 -10.320 1.00 0.00 O ATOM 365 CB VAL A 28 1.144 -3.509 -12.390 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.225 -3.432 -13.611 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.339 -3.749 -11.111 1.00 0.00 C ATOM 0 H VAL A 28 1.295 -6.329 -11.851 1.00 0.00 H new ATOM 0 HA VAL A 28 2.768 -4.328 -13.475 1.00 0.00 H new ATOM 0 HB VAL A 28 1.651 -2.549 -12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.525 -2.656 -13.454 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.815 -3.193 -14.496 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.271 -4.392 -13.754 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.413 -2.968 -11.002 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.152 -4.720 -11.167 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.008 -3.730 -10.251 1.00 0.00 H new ATOM 377 N VAL A 29 4.427 -4.197 -11.711 1.00 0.00 N ATOM 378 CA VAL A 29 5.481 -4.188 -10.711 1.00 0.00 C ATOM 379 C VAL A 29 5.429 -2.872 -9.932 1.00 0.00 C ATOM 380 O VAL A 29 5.233 -1.808 -10.517 1.00 0.00 O ATOM 381 CB VAL A 29 6.837 -4.435 -11.377 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.385 -3.148 -11.997 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.834 -5.034 -10.384 1.00 0.00 C ATOM 0 H VAL A 29 4.703 -3.838 -12.625 1.00 0.00 H new ATOM 0 HA VAL A 29 5.334 -4.996 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 29 6.690 -5.157 -12.180 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.349 -3.351 -12.464 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.687 -2.781 -12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.510 -2.394 -11.220 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.789 -5.200 -10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.974 -4.346 -9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.450 -5.983 -10.011 1.00 0.00 H new ATOM 393 N ALA A 30 5.607 -2.989 -8.625 1.00 0.00 N ATOM 394 CA ALA A 30 5.582 -1.822 -7.759 1.00 0.00 C ATOM 395 C ALA A 30 6.813 -0.957 -8.039 1.00 0.00 C ATOM 396 O ALA A 30 7.944 -1.424 -7.919 1.00 0.00 O ATOM 397 CB ALA A 30 5.506 -2.271 -6.298 1.00 0.00 C ATOM 0 H ALA A 30 5.769 -3.874 -8.144 1.00 0.00 H new ATOM 0 HA ALA A 30 4.699 -1.215 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.487 -1.396 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.600 -2.856 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.377 -2.881 -6.059 1.00 0.00 H new ATOM 403 N LEU A 31 6.550 0.287 -8.410 1.00 0.00 N ATOM 404 CA LEU A 31 7.623 1.221 -8.710 1.00 0.00 C ATOM 405 C LEU A 31 8.228 1.733 -7.400 1.00 0.00 C ATOM 406 O LEU A 31 9.432 1.968 -7.319 1.00 0.00 O ATOM 407 CB LEU A 31 7.123 2.334 -9.632 1.00 0.00 C ATOM 408 CG LEU A 31 6.826 1.925 -11.076 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.614 3.154 -11.962 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.922 1.007 -11.622 1.00 0.00 C ATOM 0 H LEU A 31 5.610 0.670 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 31 8.422 0.720 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.215 2.756 -9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.868 3.129 -9.646 1.00 0.00 H new ATOM 0 HG LEU A 31 5.896 1.357 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.405 2.835 -12.983 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.773 3.735 -11.584 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.513 3.770 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.687 0.731 -12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.879 1.528 -11.596 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.982 0.107 -11.009 1.00 0.00 H new ATOM 422 N TYR A 32 7.363 1.892 -6.408 1.00 0.00 N ATOM 423 CA TYR A 32 7.797 2.371 -5.108 1.00 0.00 C ATOM 424 C TYR A 32 7.134 1.577 -3.981 1.00 0.00 C ATOM 425 O TYR A 32 6.026 1.067 -4.145 1.00 0.00 O ATOM 426 CB TYR A 32 7.343 3.829 -5.023 1.00 0.00 C ATOM 427 CG TYR A 32 7.405 4.579 -6.356 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.588 5.162 -6.765 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.279 4.672 -7.148 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.646 5.867 -8.020 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.338 5.377 -8.402 1.00 0.00 C ATOM 432 CZ TYR A 32 7.519 5.940 -8.776 1.00 0.00 C ATOM 433 OH TYR A 32 7.574 6.606 -9.960 1.00 0.00 O ATOM 0 H TYR A 32 6.364 1.697 -6.479 1.00 0.00 H new ATOM 0 HA TYR A 32 8.876 2.262 -5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.320 3.859 -4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.965 4.351 -4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.469 5.090 -6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.354 4.216 -6.827 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.565 6.327 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.464 5.457 -9.032 1.00 0.00 H new ATOM 0 HH TYR A 32 6.695 6.576 -10.393 1.00 0.00 H new ATOM 443 N ASP A 33 7.839 1.496 -2.862 1.00 0.00 N ATOM 444 CA ASP A 33 7.332 0.772 -1.709 1.00 0.00 C ATOM 445 C ASP A 33 6.025 1.416 -1.242 1.00 0.00 C ATOM 446 O ASP A 33 5.911 2.640 -1.205 1.00 0.00 O ATOM 447 CB ASP A 33 8.325 0.823 -0.546 1.00 0.00 C ATOM 448 CG ASP A 33 9.795 0.668 -0.944 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.301 1.592 -1.617 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.378 -0.370 -0.565 1.00 0.00 O ATOM 0 H ASP A 33 8.757 1.920 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 33 7.175 -0.265 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.203 1.773 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.071 0.036 0.164 1.00 0.00 H new ATOM 455 N TYR A 34 5.072 0.562 -0.898 1.00 0.00 N ATOM 456 CA TYR A 34 3.777 1.033 -0.436 1.00 0.00 C ATOM 457 C TYR A 34 3.295 0.219 0.767 1.00 0.00 C ATOM 458 O TYR A 34 3.382 -1.007 0.766 1.00 0.00 O ATOM 459 CB TYR A 34 2.809 0.818 -1.602 1.00 0.00 C ATOM 460 CG TYR A 34 1.415 1.404 -1.368 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.201 2.758 -1.526 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.372 0.578 -1.001 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.112 3.310 -1.307 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.940 1.130 -0.782 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.116 2.469 -0.946 1.00 0.00 C ATOM 466 OH TYR A 34 -2.356 2.989 -0.739 1.00 0.00 O ATOM 0 H TYR A 34 5.171 -0.453 -0.930 1.00 0.00 H new ATOM 0 HA TYR A 34 3.836 2.077 -0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.234 1.265 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.716 -0.251 -1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.017 3.404 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.540 -0.482 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.294 4.368 -1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.765 0.496 -0.494 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.576 3.610 -1.465 1.00 0.00 H new ATOM 476 N GLU A 35 2.799 0.936 1.765 1.00 0.00 N ATOM 477 CA GLU A 35 2.304 0.296 2.972 1.00 0.00 C ATOM 478 C GLU A 35 0.877 0.759 3.272 1.00 0.00 C ATOM 479 O GLU A 35 0.610 1.311 4.338 1.00 0.00 O ATOM 480 CB GLU A 35 3.230 0.571 4.158 1.00 0.00 C ATOM 481 CG GLU A 35 3.974 -0.698 4.580 1.00 0.00 C ATOM 482 CD GLU A 35 4.123 -0.766 6.101 1.00 0.00 C ATOM 483 OE1 GLU A 35 5.042 -0.091 6.612 1.00 0.00 O ATOM 484 OE2 GLU A 35 3.314 -1.491 6.719 1.00 0.00 O ATOM 0 H GLU A 35 2.729 1.954 1.762 1.00 0.00 H new ATOM 0 HA GLU A 35 2.288 -0.781 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.948 1.346 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.648 0.952 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.434 -1.576 4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.959 -0.719 4.113 1.00 0.00 H new ATOM 491 N ALA A 36 -0.003 0.517 2.311 1.00 0.00 N ATOM 492 CA ALA A 36 -1.397 0.902 2.459 1.00 0.00 C ATOM 493 C ALA A 36 -1.474 2.257 3.165 1.00 0.00 C ATOM 494 O ALA A 36 -1.594 2.318 4.388 1.00 0.00 O ATOM 495 CB ALA A 36 -2.152 -0.194 3.214 1.00 0.00 C ATOM 0 H ALA A 36 0.222 0.059 1.428 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.872 1.011 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.197 0.095 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.091 -1.128 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.707 -0.330 4.199 1.00 0.00 H new ATOM 569 N ASP A 41 -6.787 -0.593 0.813 1.00 0.00 N ATOM 570 CA ASP A 41 -5.629 -0.617 -0.065 1.00 0.00 C ATOM 571 C ASP A 41 -4.681 -1.732 0.378 1.00 0.00 C ATOM 572 O ASP A 41 -4.638 -2.084 1.556 1.00 0.00 O ATOM 573 CB ASP A 41 -4.865 0.706 -0.004 1.00 0.00 C ATOM 574 CG ASP A 41 -5.521 1.869 -0.751 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.605 2.294 -0.297 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.925 2.306 -1.758 1.00 0.00 O ATOM 0 HA ASP A 41 -5.981 -0.783 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.742 0.989 1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.866 0.550 -0.411 1.00 0.00 H new ATOM 581 N LEU A 42 -3.944 -2.259 -0.589 1.00 0.00 N ATOM 582 CA LEU A 42 -2.999 -3.327 -0.314 1.00 0.00 C ATOM 583 C LEU A 42 -1.599 -2.733 -0.142 1.00 0.00 C ATOM 584 O LEU A 42 -1.304 -1.666 -0.678 1.00 0.00 O ATOM 585 CB LEU A 42 -3.080 -4.407 -1.394 1.00 0.00 C ATOM 586 CG LEU A 42 -2.393 -5.735 -1.069 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.291 -6.618 -0.201 1.00 0.00 C ATOM 588 CD2 LEU A 42 -1.948 -6.449 -2.347 1.00 0.00 C ATOM 0 H LEU A 42 -3.983 -1.965 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.251 -3.826 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.131 -4.606 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.643 -4.010 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.494 -5.523 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.779 -7.556 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.515 -6.103 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.220 -6.826 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.463 -7.390 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.817 -6.649 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.247 -5.817 -2.892 1.00 0.00 H new ATOM 600 N SER A 43 -0.775 -3.450 0.607 1.00 0.00 N ATOM 601 CA SER A 43 0.586 -3.006 0.856 1.00 0.00 C ATOM 602 C SER A 43 1.572 -3.880 0.078 1.00 0.00 C ATOM 603 O SER A 43 1.426 -5.101 0.036 1.00 0.00 O ATOM 604 CB SER A 43 0.912 -3.040 2.350 1.00 0.00 C ATOM 605 OG SER A 43 0.677 -4.326 2.919 1.00 0.00 O ATOM 0 H SER A 43 -1.023 -4.335 1.049 1.00 0.00 H new ATOM 0 HA SER A 43 0.677 -1.975 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.955 -2.763 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.307 -2.297 2.870 1.00 0.00 H new ATOM 0 HG SER A 43 0.899 -4.307 3.873 1.00 0.00 H new ATOM 611 N PHE A 44 2.554 -3.221 -0.520 1.00 0.00 N ATOM 612 CA PHE A 44 3.563 -3.924 -1.294 1.00 0.00 C ATOM 613 C PHE A 44 4.908 -3.198 -1.227 1.00 0.00 C ATOM 614 O PHE A 44 5.032 -2.171 -0.561 1.00 0.00 O ATOM 615 CB PHE A 44 3.080 -3.944 -2.745 1.00 0.00 C ATOM 616 CG PHE A 44 2.579 -2.590 -3.253 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.462 -1.683 -3.750 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.252 -2.295 -3.208 1.00 0.00 C ATOM 619 CE1 PHE A 44 2.997 -0.425 -4.221 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.789 -1.039 -3.679 1.00 0.00 C ATOM 621 CZ PHE A 44 1.670 -0.130 -4.176 1.00 0.00 C ATOM 0 H PHE A 44 2.672 -2.209 -0.484 1.00 0.00 H new ATOM 0 HA PHE A 44 3.702 -4.930 -0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.896 -4.281 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.278 -4.676 -2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.515 -1.918 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.551 -3.016 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.697 0.297 -4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.265 -0.805 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.316 0.825 -4.535 1.00 0.00 H new ATOM 631 N GLN A 45 5.884 -3.760 -1.926 1.00 0.00 N ATOM 632 CA GLN A 45 7.215 -3.179 -1.955 1.00 0.00 C ATOM 633 C GLN A 45 7.640 -2.896 -3.397 1.00 0.00 C ATOM 634 O GLN A 45 7.080 -3.461 -4.335 1.00 0.00 O ATOM 635 CB GLN A 45 8.226 -4.090 -1.254 1.00 0.00 C ATOM 636 CG GLN A 45 8.001 -4.096 0.259 1.00 0.00 C ATOM 637 CD GLN A 45 8.662 -5.315 0.906 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.731 -6.392 0.337 1.00 0.00 O ATOM 639 NE2 GLN A 45 9.143 -5.087 2.124 1.00 0.00 N ATOM 0 H GLN A 45 5.779 -4.612 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 45 7.189 -2.234 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.137 -5.105 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.239 -3.752 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.408 -3.183 0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.932 -4.102 0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.052 -4.162 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.603 -5.837 2.639 1.00 0.00 H new ATOM 648 N LYS A 46 8.626 -2.022 -3.529 1.00 0.00 N ATOM 649 CA LYS A 46 9.133 -1.656 -4.841 1.00 0.00 C ATOM 650 C LYS A 46 9.712 -2.898 -5.522 1.00 0.00 C ATOM 651 O LYS A 46 10.765 -3.394 -5.124 1.00 0.00 O ATOM 652 CB LYS A 46 10.125 -0.497 -4.729 1.00 0.00 C ATOM 653 CG LYS A 46 11.116 -0.508 -5.894 1.00 0.00 C ATOM 654 CD LYS A 46 11.665 0.895 -6.161 1.00 0.00 C ATOM 655 CE LYS A 46 11.871 1.127 -7.659 1.00 0.00 C ATOM 656 NZ LYS A 46 11.981 2.575 -7.948 1.00 0.00 N ATOM 0 H LYS A 46 9.088 -1.556 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 46 8.324 -1.291 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.584 0.449 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.667 -0.567 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.938 -1.187 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.625 -0.887 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.975 1.641 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.611 1.025 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.773 0.614 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.037 0.701 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.255 2.711 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.064 3.034 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.702 2.999 -7.330 1.00 0.00 H new ATOM 670 N GLY A 47 9.000 -3.363 -6.538 1.00 0.00 N ATOM 671 CA GLY A 47 9.431 -4.537 -7.278 1.00 0.00 C ATOM 672 C GLY A 47 8.455 -5.699 -7.080 1.00 0.00 C ATOM 673 O GLY A 47 8.660 -6.786 -7.618 1.00 0.00 O ATOM 0 H GLY A 47 8.128 -2.948 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.505 -4.296 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.427 -4.834 -6.949 1.00 0.00 H new ATOM 677 N ASP A 48 7.414 -5.430 -6.304 1.00 0.00 N ATOM 678 CA ASP A 48 6.407 -6.440 -6.028 1.00 0.00 C ATOM 679 C ASP A 48 5.449 -6.537 -7.218 1.00 0.00 C ATOM 680 O ASP A 48 5.024 -5.520 -7.762 1.00 0.00 O ATOM 681 CB ASP A 48 5.587 -6.074 -4.790 1.00 0.00 C ATOM 682 CG ASP A 48 5.038 -7.266 -4.003 1.00 0.00 C ATOM 683 OD1 ASP A 48 4.069 -7.878 -4.501 1.00 0.00 O ATOM 684 OD2 ASP A 48 5.600 -7.537 -2.919 1.00 0.00 O ATOM 0 H ASP A 48 7.247 -4.528 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 48 6.917 -7.388 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.209 -5.474 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.752 -5.446 -5.099 1.00 0.00 H new ATOM 689 N GLN A 49 5.137 -7.771 -7.585 1.00 0.00 N ATOM 690 CA GLN A 49 4.237 -8.015 -8.700 1.00 0.00 C ATOM 691 C GLN A 49 2.844 -8.383 -8.186 1.00 0.00 C ATOM 692 O GLN A 49 2.707 -9.225 -7.301 1.00 0.00 O ATOM 693 CB GLN A 49 4.787 -9.106 -9.621 1.00 0.00 C ATOM 694 CG GLN A 49 6.166 -8.722 -10.163 1.00 0.00 C ATOM 695 CD GLN A 49 6.163 -8.689 -11.692 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.775 -9.508 -12.358 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.443 -7.698 -12.210 1.00 0.00 N ATOM 0 H GLN A 49 5.491 -8.613 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 49 4.158 -7.098 -9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.856 -10.047 -9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.098 -9.268 -10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.454 -7.745 -9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.911 -9.437 -9.812 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.955 -7.047 -11.595 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.379 -7.589 -13.222 1.00 0.00 H new ATOM 706 N MET A 50 1.844 -7.733 -8.765 1.00 0.00 N ATOM 707 CA MET A 50 0.466 -7.980 -8.375 1.00 0.00 C ATOM 708 C MET A 50 -0.398 -8.303 -9.597 1.00 0.00 C ATOM 709 O MET A 50 -0.132 -7.819 -10.696 1.00 0.00 O ATOM 710 CB MET A 50 -0.095 -6.746 -7.666 1.00 0.00 C ATOM 711 CG MET A 50 0.786 -6.349 -6.480 1.00 0.00 C ATOM 712 SD MET A 50 0.376 -4.697 -5.941 1.00 0.00 S ATOM 713 CE MET A 50 1.885 -3.847 -6.370 1.00 0.00 C ATOM 0 H MET A 50 1.961 -7.036 -9.501 1.00 0.00 H new ATOM 0 HA MET A 50 0.447 -8.836 -7.701 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.160 -5.916 -8.369 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.108 -6.950 -7.319 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.645 -7.053 -5.660 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.837 -6.397 -6.765 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.800 -2.795 -6.099 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.720 -4.294 -5.831 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.058 -3.932 -7.443 1.00 0.00 H new ATOM 723 N VAL A 51 -1.415 -9.119 -9.363 1.00 0.00 N ATOM 724 CA VAL A 51 -2.320 -9.513 -10.429 1.00 0.00 C ATOM 725 C VAL A 51 -3.557 -8.615 -10.400 1.00 0.00 C ATOM 726 O VAL A 51 -4.504 -8.879 -9.661 1.00 0.00 O ATOM 727 CB VAL A 51 -2.657 -11.001 -10.307 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.810 -11.379 -11.239 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.426 -11.867 -10.579 1.00 0.00 C ATOM 0 H VAL A 51 -1.632 -9.518 -8.450 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.845 -9.380 -11.401 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.978 -11.189 -9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.030 -12.441 -11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.694 -10.798 -10.978 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.528 -11.168 -12.271 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.694 -12.919 -10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.061 -11.674 -11.588 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.645 -11.626 -9.858 1.00 0.00 H new ATOM 739 N VAL A 52 -3.510 -7.569 -11.214 1.00 0.00 N ATOM 740 CA VAL A 52 -4.615 -6.630 -11.290 1.00 0.00 C ATOM 741 C VAL A 52 -5.880 -7.371 -11.728 1.00 0.00 C ATOM 742 O VAL A 52 -5.897 -8.008 -12.780 1.00 0.00 O ATOM 743 CB VAL A 52 -4.253 -5.468 -12.217 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.507 -4.728 -12.686 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.272 -4.510 -11.538 1.00 0.00 C ATOM 0 H VAL A 52 -2.723 -7.352 -11.826 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.814 -6.197 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.761 -5.883 -13.097 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.221 -3.907 -13.343 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.155 -5.417 -13.227 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.040 -4.332 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.031 -3.693 -12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.725 -4.106 -10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.360 -5.047 -11.279 1.00 0.00 H new ATOM 755 N LEU A 53 -6.908 -7.265 -10.899 1.00 0.00 N ATOM 756 CA LEU A 53 -8.174 -7.917 -11.187 1.00 0.00 C ATOM 757 C LEU A 53 -9.198 -6.866 -11.619 1.00 0.00 C ATOM 758 O LEU A 53 -9.813 -6.991 -12.676 1.00 0.00 O ATOM 759 CB LEU A 53 -8.624 -8.764 -9.996 1.00 0.00 C ATOM 760 CG LEU A 53 -7.523 -9.531 -9.262 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.040 -10.107 -7.942 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.915 -10.610 -10.160 1.00 0.00 C ATOM 0 H LEU A 53 -6.890 -6.737 -10.027 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.064 -8.613 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.123 -8.111 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.367 -9.481 -10.346 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.725 -8.830 -9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.237 -10.647 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.386 -9.296 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.866 -10.789 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.135 -11.141 -9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.691 -11.314 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.485 -10.145 -11.047 1.00 0.00 H new ATOM 774 N GLU A 54 -9.350 -5.854 -10.776 1.00 0.00 N ATOM 775 CA GLU A 54 -10.289 -4.782 -11.058 1.00 0.00 C ATOM 776 C GLU A 54 -9.545 -3.458 -11.240 1.00 0.00 C ATOM 777 O GLU A 54 -8.680 -3.112 -10.436 1.00 0.00 O ATOM 778 CB GLU A 54 -11.341 -4.672 -9.952 1.00 0.00 C ATOM 779 CG GLU A 54 -12.593 -5.480 -10.304 1.00 0.00 C ATOM 780 CD GLU A 54 -13.694 -5.266 -9.263 1.00 0.00 C ATOM 781 OE1 GLU A 54 -14.141 -4.105 -9.139 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.062 -6.269 -8.613 1.00 0.00 O ATOM 0 H GLU A 54 -8.839 -5.754 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.808 -5.015 -11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.924 -5.032 -9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.609 -3.626 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.956 -5.185 -11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.342 -6.539 -10.361 1.00 0.00 H new ATOM 822 N GLU A 58 -7.795 4.799 -10.915 1.00 0.00 N ATOM 823 CA GLU A 58 -6.351 4.754 -10.758 1.00 0.00 C ATOM 824 C GLU A 58 -5.945 3.537 -9.923 1.00 0.00 C ATOM 825 O GLU A 58 -5.038 2.798 -10.300 1.00 0.00 O ATOM 826 CB GLU A 58 -5.828 6.047 -10.130 1.00 0.00 C ATOM 827 CG GLU A 58 -6.346 7.273 -10.888 1.00 0.00 C ATOM 828 CD GLU A 58 -5.360 7.699 -11.978 1.00 0.00 C ATOM 829 OE1 GLU A 58 -4.742 6.790 -12.571 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.247 8.926 -12.192 1.00 0.00 O ATOM 0 HA GLU A 58 -5.901 4.659 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.140 6.101 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.738 6.044 -10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.314 7.046 -11.336 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.502 8.097 -10.191 1.00 0.00 H new ATOM 837 N TRP A 59 -6.637 3.368 -8.807 1.00 0.00 N ATOM 838 CA TRP A 59 -6.360 2.254 -7.916 1.00 0.00 C ATOM 839 C TRP A 59 -7.035 1.008 -8.494 1.00 0.00 C ATOM 840 O TRP A 59 -8.203 1.053 -8.879 1.00 0.00 O ATOM 841 CB TRP A 59 -6.808 2.568 -6.488 1.00 0.00 C ATOM 842 CG TRP A 59 -6.302 3.913 -5.959 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.771 5.137 -6.237 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.205 4.120 -5.045 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.059 6.114 -5.571 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.077 5.476 -4.823 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.350 3.192 -4.426 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.104 6.026 -3.980 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.383 3.756 -3.586 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.240 5.120 -3.353 1.00 0.00 C ATOM 0 H TRP A 59 -7.389 3.984 -8.499 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.288 2.071 -7.850 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.897 2.561 -6.450 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.460 1.775 -5.826 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.601 5.334 -6.899 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.223 7.120 -5.619 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.433 2.127 -4.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.024 7.091 -3.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.701 3.086 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.466 5.479 -2.691 1.00 0.00 H new ATOM 861 N TRP A 60 -6.272 -0.075 -8.536 1.00 0.00 N ATOM 862 CA TRP A 60 -6.782 -1.330 -9.060 1.00 0.00 C ATOM 863 C TRP A 60 -6.659 -2.386 -7.960 1.00 0.00 C ATOM 864 O TRP A 60 -5.775 -2.301 -7.109 1.00 0.00 O ATOM 865 CB TRP A 60 -6.057 -1.722 -10.349 1.00 0.00 C ATOM 866 CG TRP A 60 -5.822 -0.555 -11.310 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.600 0.517 -11.512 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.697 -0.385 -12.198 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.061 1.362 -12.461 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.867 0.795 -12.892 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.573 -1.204 -12.409 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.953 1.265 -13.842 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.668 -0.720 -13.361 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.825 0.466 -14.068 1.00 0.00 C ATOM 0 H TRP A 60 -5.304 -0.109 -8.215 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.832 -1.234 -9.335 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.096 -2.167 -10.092 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.637 -2.490 -10.861 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.532 0.697 -10.997 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.464 2.241 -12.786 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.420 -2.132 -11.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.109 2.193 -14.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.786 -1.310 -13.560 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.080 0.770 -14.789 1.00 0.00 H new ATOM 885 N LYS A 61 -7.559 -3.357 -8.012 1.00 0.00 N ATOM 886 CA LYS A 61 -7.563 -4.428 -7.030 1.00 0.00 C ATOM 887 C LYS A 61 -6.737 -5.602 -7.560 1.00 0.00 C ATOM 888 O LYS A 61 -7.230 -6.404 -8.352 1.00 0.00 O ATOM 889 CB LYS A 61 -8.997 -4.805 -6.654 1.00 0.00 C ATOM 890 CG LYS A 61 -9.016 -5.971 -5.663 1.00 0.00 C ATOM 891 CD LYS A 61 -10.017 -7.043 -6.097 1.00 0.00 C ATOM 892 CE LYS A 61 -10.816 -7.563 -4.900 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.214 -7.844 -5.294 1.00 0.00 N ATOM 0 H LYS A 61 -8.291 -3.424 -8.719 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.092 -4.098 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.501 -3.943 -6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.553 -5.077 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.020 -6.407 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.277 -5.605 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.698 -6.630 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.488 -7.869 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.352 -8.470 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.799 -6.827 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.743 -8.196 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.658 -6.971 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.225 -8.563 -6.046 1.00 0.00 H new ATOM 907 N ALA A 62 -5.496 -5.666 -7.103 1.00 0.00 N ATOM 908 CA ALA A 62 -4.597 -6.728 -7.521 1.00 0.00 C ATOM 909 C ALA A 62 -4.201 -7.564 -6.301 1.00 0.00 C ATOM 910 O ALA A 62 -4.270 -7.088 -5.170 1.00 0.00 O ATOM 911 CB ALA A 62 -3.385 -6.122 -8.230 1.00 0.00 C ATOM 0 H ALA A 62 -5.091 -4.999 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.091 -7.392 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.711 -6.919 -8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.717 -5.563 -9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.862 -5.452 -7.548 1.00 0.00 H new ATOM 917 N ARG A 63 -3.795 -8.795 -6.575 1.00 0.00 N ATOM 918 CA ARG A 63 -3.389 -9.702 -5.516 1.00 0.00 C ATOM 919 C ARG A 63 -1.868 -9.869 -5.515 1.00 0.00 C ATOM 920 O ARG A 63 -1.279 -10.227 -6.533 1.00 0.00 O ATOM 921 CB ARG A 63 -4.046 -11.074 -5.681 1.00 0.00 C ATOM 922 CG ARG A 63 -3.234 -12.160 -4.973 1.00 0.00 C ATOM 923 CD ARG A 63 -2.464 -13.016 -5.982 1.00 0.00 C ATOM 924 NE ARG A 63 -3.371 -14.010 -6.599 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.153 -14.589 -7.786 1.00 0.00 C ATOM 926 NH1 ARG A 63 -2.056 -14.279 -8.492 1.00 0.00 N ATOM 927 NH2 ARG A 63 -4.030 -15.480 -8.269 1.00 0.00 N ATOM 0 H ARG A 63 -3.739 -9.185 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.712 -9.270 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.057 -11.048 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.134 -11.314 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.536 -11.699 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.900 -12.793 -4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.029 -12.380 -6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.638 -13.525 -5.485 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.215 -14.270 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.387 -13.602 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.890 -14.720 -9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.864 -15.717 -7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.863 -15.921 -9.174 1.00 0.00 H new ATOM 941 N SER A 64 -1.276 -9.603 -4.359 1.00 0.00 N ATOM 942 CA SER A 64 0.165 -9.719 -4.213 1.00 0.00 C ATOM 943 C SER A 64 0.614 -11.139 -4.562 1.00 0.00 C ATOM 944 O SER A 64 0.023 -12.113 -4.099 1.00 0.00 O ATOM 945 CB SER A 64 0.605 -9.359 -2.793 1.00 0.00 C ATOM 946 OG SER A 64 1.952 -9.745 -2.537 1.00 0.00 O ATOM 0 H SER A 64 -1.768 -9.308 -3.516 1.00 0.00 H new ATOM 0 HA SER A 64 0.636 -9.016 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.501 -8.284 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.054 -9.846 -2.075 1.00 0.00 H new ATOM 0 HG SER A 64 2.195 -9.496 -1.621 1.00 0.00 H new ATOM 952 N LEU A 65 1.655 -11.212 -5.378 1.00 0.00 N ATOM 953 CA LEU A 65 2.190 -12.498 -5.796 1.00 0.00 C ATOM 954 C LEU A 65 3.238 -12.962 -4.783 1.00 0.00 C ATOM 955 O LEU A 65 4.059 -13.827 -5.086 1.00 0.00 O ATOM 956 CB LEU A 65 2.714 -12.419 -7.231 1.00 0.00 C ATOM 957 CG LEU A 65 1.743 -12.871 -8.325 1.00 0.00 C ATOM 958 CD1 LEU A 65 2.348 -12.662 -9.715 1.00 0.00 C ATOM 959 CD2 LEU A 65 1.302 -14.319 -8.103 1.00 0.00 C ATOM 0 H LEU A 65 2.143 -10.402 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 65 1.403 -13.252 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.005 -11.389 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.617 -13.025 -7.301 1.00 0.00 H new ATOM 0 HG LEU A 65 0.849 -12.250 -8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.638 -12.991 -10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.570 -11.605 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.267 -13.241 -9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.613 -14.615 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.175 -14.972 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.804 -14.404 -7.137 1.00 0.00 H new ATOM 971 N ALA A 66 3.179 -12.366 -3.601 1.00 0.00 N ATOM 972 CA ALA A 66 4.112 -12.708 -2.542 1.00 0.00 C ATOM 973 C ALA A 66 3.340 -13.280 -1.352 1.00 0.00 C ATOM 974 O ALA A 66 3.819 -14.189 -0.675 1.00 0.00 O ATOM 975 CB ALA A 66 4.933 -11.473 -2.167 1.00 0.00 C ATOM 0 H ALA A 66 2.498 -11.648 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 66 4.811 -13.474 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.633 -11.729 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.486 -11.125 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.266 -10.683 -1.822 1.00 0.00 H new ATOM 981 N THR A 67 2.159 -12.722 -1.131 1.00 0.00 N ATOM 982 CA THR A 67 1.315 -13.165 -0.034 1.00 0.00 C ATOM 983 C THR A 67 -0.090 -13.496 -0.541 1.00 0.00 C ATOM 984 O THR A 67 -1.013 -13.675 0.251 1.00 0.00 O ATOM 985 CB THR A 67 1.332 -12.079 1.043 1.00 0.00 C ATOM 986 OG1 THR A 67 1.183 -10.864 0.314 1.00 0.00 O ATOM 987 CG2 THR A 67 2.699 -11.944 1.717 1.00 0.00 C ATOM 0 H THR A 67 1.766 -11.967 -1.693 1.00 0.00 H new ATOM 0 HA THR A 67 1.692 -14.087 0.407 1.00 0.00 H new ATOM 0 HB THR A 67 0.577 -12.303 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.764 -10.177 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.656 -11.160 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.967 -12.889 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.449 -11.687 0.969 1.00 0.00 H new ATOM 995 N ARG A 68 -0.208 -13.566 -1.859 1.00 0.00 N ATOM 996 CA ARG A 68 -1.484 -13.872 -2.481 1.00 0.00 C ATOM 997 C ARG A 68 -2.596 -13.032 -1.850 1.00 0.00 C ATOM 998 O ARG A 68 -3.760 -13.430 -1.859 1.00 0.00 O ATOM 999 CB ARG A 68 -1.828 -15.356 -2.332 1.00 0.00 C ATOM 1000 CG ARG A 68 -2.121 -15.706 -0.871 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.884 -17.029 -0.768 1.00 0.00 C ATOM 1002 NE ARG A 68 -1.961 -18.116 -0.371 1.00 0.00 N ATOM 1003 CZ ARG A 68 -1.480 -18.279 0.868 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -1.831 -17.425 1.840 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -0.648 -19.294 1.136 1.00 0.00 N ATOM 0 H ARG A 68 0.560 -13.416 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.402 -13.635 -3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.695 -15.596 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.000 -15.964 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.186 -15.777 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.705 -14.908 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.688 -16.939 -0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.348 -17.266 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.673 -18.783 -1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.464 -16.652 1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.465 -17.548 2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.381 -19.943 0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.282 -19.418 2.080 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.199 -11.886 -1.319 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.148 -10.986 -0.685 1.00 0.00 C ATOM 1021 C LYS A 69 -4.063 -10.381 -1.753 1.00 0.00 C ATOM 1022 O LYS A 69 -3.885 -10.637 -2.944 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.415 -9.942 0.159 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.072 -10.499 1.543 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.024 -9.628 2.239 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.066 -9.828 3.756 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.127 -9.224 4.390 1.00 0.00 N ATOM 0 H LYS A 69 -1.233 -11.559 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.786 -11.533 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.502 -9.634 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.036 -9.053 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.974 -10.547 2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.697 -11.518 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.031 -9.876 1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.202 -8.579 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.970 -9.376 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.109 -10.892 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.084 -9.368 5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.986 -9.674 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.151 -8.205 4.184 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.019 -9.591 -1.290 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.961 -8.947 -2.190 1.00 0.00 C ATOM 1043 C GLU A 70 -6.391 -7.591 -1.629 1.00 0.00 C ATOM 1044 O GLU A 70 -6.875 -7.507 -0.500 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.173 -9.845 -2.447 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.902 -10.818 -3.595 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.953 -11.929 -3.632 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.016 -12.684 -2.639 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.672 -11.997 -4.654 1.00 0.00 O ATOM 0 H GLU A 70 -5.162 -9.382 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.464 -8.780 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.415 -10.403 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.041 -9.230 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.905 -10.278 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.910 -11.255 -3.480 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.199 -6.562 -2.441 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.560 -5.214 -2.039 1.00 0.00 C ATOM 1058 C GLY A 71 -6.244 -4.207 -3.148 1.00 0.00 C ATOM 1059 O GLY A 71 -5.477 -4.506 -4.062 1.00 0.00 O ATOM 0 H GLY A 71 -5.798 -6.635 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.623 -5.175 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.018 -4.944 -1.132 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.850 -3.035 -3.029 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.643 -1.983 -4.011 1.00 0.00 C ATOM 1065 C TYR A 72 -5.223 -1.419 -3.917 1.00 0.00 C ATOM 1066 O TYR A 72 -4.703 -1.215 -2.821 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.641 -0.878 -3.661 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.102 -1.254 -3.923 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.452 -1.874 -5.105 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.067 -0.972 -2.977 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.827 -2.227 -5.352 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.440 -1.325 -3.224 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.753 -1.935 -4.399 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.050 -2.269 -4.631 1.00 0.00 O ATOM 0 H TYR A 72 -7.484 -2.790 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.782 -2.367 -5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.526 -0.619 -2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.397 0.014 -4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.696 -2.094 -5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.792 -0.487 -2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.116 -2.712 -6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.205 -1.110 -2.493 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.599 -2.002 -3.864 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.637 -1.184 -5.081 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.288 -0.648 -5.145 1.00 0.00 C ATOM 1086 C ILE A 73 -3.245 0.493 -6.164 1.00 0.00 C ATOM 1087 O ILE A 73 -4.026 0.512 -7.114 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.281 -1.764 -5.430 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.672 -2.550 -6.683 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.112 -2.674 -4.212 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.565 -2.488 -7.737 1.00 0.00 C ATOM 0 H ILE A 73 -5.072 -1.355 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.999 -0.227 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.312 -1.306 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.869 -3.589 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.596 -2.146 -7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.391 -3.459 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.753 -2.087 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.071 -3.125 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.869 -3.055 -8.617 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.387 -1.450 -8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.649 -2.915 -7.328 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.300 1.442 -5.924 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.145 2.584 -6.809 1.00 0.00 C ATOM 1105 C PRO A 74 -1.455 2.178 -8.113 1.00 0.00 C ATOM 1106 O PRO A 74 -0.530 1.368 -8.103 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.347 3.599 -6.005 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.689 2.815 -4.882 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.359 1.453 -4.808 1.00 0.00 C ATOM 0 HA PRO A 74 -3.100 3.006 -7.123 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.600 4.091 -6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.995 4.380 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.379 2.705 -5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.794 3.344 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.630 0.648 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.872 1.315 -3.856 1.00 0.00 H new ATOM 1117 N SER A 75 -1.933 2.759 -9.203 1.00 0.00 N ATOM 1118 CA SER A 75 -1.374 2.468 -10.512 1.00 0.00 C ATOM 1119 C SER A 75 -0.153 3.354 -10.769 1.00 0.00 C ATOM 1120 O SER A 75 0.739 2.982 -11.530 1.00 0.00 O ATOM 1121 CB SER A 75 -2.417 2.669 -11.613 1.00 0.00 C ATOM 1122 OG SER A 75 -1.828 3.115 -12.832 1.00 0.00 O ATOM 0 H SER A 75 -2.701 3.430 -9.207 1.00 0.00 H new ATOM 0 HA SER A 75 -1.066 1.423 -10.527 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.945 1.732 -11.787 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.159 3.396 -11.281 1.00 0.00 H new ATOM 0 HG SER A 75 -2.121 2.538 -13.567 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.152 4.508 -10.119 1.00 0.00 N ATOM 1129 CA ASN A 76 0.945 5.450 -10.267 1.00 0.00 C ATOM 1130 C ASN A 76 2.170 4.920 -9.520 1.00 0.00 C ATOM 1131 O ASN A 76 3.250 5.504 -9.598 1.00 0.00 O ATOM 1132 CB ASN A 76 0.583 6.814 -9.676 1.00 0.00 C ATOM 1133 CG ASN A 76 0.663 6.788 -8.148 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.634 5.745 -7.517 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.768 7.991 -7.592 1.00 0.00 N ATOM 0 H ASN A 76 -0.893 4.813 -9.488 1.00 0.00 H new ATOM 0 HA ASN A 76 1.153 5.562 -11.331 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.259 7.575 -10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.424 7.093 -9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.830 8.080 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.787 8.825 -8.180 1.00 0.00 H new ATOM 1142 N TYR A 77 1.962 3.819 -8.813 1.00 0.00 N ATOM 1143 CA TYR A 77 3.037 3.204 -8.053 1.00 0.00 C ATOM 1144 C TYR A 77 3.411 1.840 -8.636 1.00 0.00 C ATOM 1145 O TYR A 77 4.271 1.146 -8.098 1.00 0.00 O ATOM 1146 CB TYR A 77 2.492 3.008 -6.636 1.00 0.00 C ATOM 1147 CG TYR A 77 3.089 3.963 -5.601 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.106 5.322 -5.846 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.610 3.468 -4.424 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.668 6.221 -4.872 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.172 4.368 -3.449 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.173 5.700 -3.722 1.00 0.00 C ATOM 1153 OH TYR A 77 4.703 6.549 -2.802 1.00 0.00 O ATOM 0 H TYR A 77 1.065 3.337 -8.750 1.00 0.00 H new ATOM 0 HA TYR A 77 3.930 3.829 -8.076 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.410 3.138 -6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.685 1.982 -6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.698 5.710 -6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.597 2.405 -4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.688 7.286 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.583 3.993 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 77 4.442 7.469 -3.017 1.00 0.00 H new ATOM 1163 N VAL A 78 2.746 1.497 -9.730 1.00 0.00 N ATOM 1164 CA VAL A 78 2.999 0.230 -10.393 1.00 0.00 C ATOM 1165 C VAL A 78 3.342 0.487 -11.861 1.00 0.00 C ATOM 1166 O VAL A 78 3.180 1.601 -12.356 1.00 0.00 O ATOM 1167 CB VAL A 78 1.798 -0.701 -10.214 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.362 -0.759 -8.748 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.636 -0.277 -11.115 1.00 0.00 C ATOM 0 H VAL A 78 2.032 2.075 -10.173 1.00 0.00 H new ATOM 0 HA VAL A 78 3.855 -0.273 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 78 2.105 -1.704 -10.512 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.507 -1.428 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.185 -1.130 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.083 0.240 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.205 -0.955 -10.968 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.331 0.739 -10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.952 -0.312 -12.157 1.00 0.00 H new ATOM 1179 N ALA A 79 3.811 -0.565 -12.518 1.00 0.00 N ATOM 1180 CA ALA A 79 4.180 -0.467 -13.921 1.00 0.00 C ATOM 1181 C ALA A 79 4.033 -1.840 -14.579 1.00 0.00 C ATOM 1182 O ALA A 79 4.819 -2.748 -14.309 1.00 0.00 O ATOM 1183 CB ALA A 79 5.601 0.088 -14.037 1.00 0.00 C ATOM 0 H ALA A 79 3.944 -1.488 -12.105 1.00 0.00 H new ATOM 0 HA ALA A 79 3.518 0.222 -14.446 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.878 0.162 -15.089 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.644 1.077 -13.580 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.295 -0.579 -13.525 1.00 0.00 H new ATOM 1189 N ARG A 80 3.023 -1.950 -15.429 1.00 0.00 N ATOM 1190 CA ARG A 80 2.764 -3.197 -16.126 1.00 0.00 C ATOM 1191 C ARG A 80 4.082 -3.874 -16.511 1.00 0.00 C ATOM 1192 O ARG A 80 5.015 -3.213 -16.963 1.00 0.00 O ATOM 1193 CB ARG A 80 1.935 -2.959 -17.390 1.00 0.00 C ATOM 1194 CG ARG A 80 0.451 -3.227 -17.130 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.196 -3.933 -18.323 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.284 -3.096 -18.877 1.00 0.00 N ATOM 1197 CZ ARG A 80 -1.954 -3.383 -20.001 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.653 -4.487 -20.698 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -2.927 -2.567 -20.428 1.00 0.00 N ATOM 0 H ARG A 80 2.374 -1.195 -15.651 1.00 0.00 H new ATOM 0 HA ARG A 80 2.202 -3.843 -15.451 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.069 -1.932 -17.729 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.291 -3.608 -18.190 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.340 -3.840 -16.236 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.064 -2.286 -16.937 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.552 -4.126 -19.091 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.592 -4.900 -18.013 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.540 -2.248 -18.371 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.913 -5.110 -20.373 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.164 -4.705 -21.554 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.158 -1.727 -19.897 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.437 -2.786 -21.284 1.00 0.00 H new ATOM 1213 N VAL A 81 4.116 -5.184 -16.315 1.00 0.00 N ATOM 1214 CA VAL A 81 5.304 -5.958 -16.635 1.00 0.00 C ATOM 1215 C VAL A 81 5.615 -5.812 -18.125 1.00 0.00 C ATOM 1216 O VAL A 81 6.778 -5.836 -18.525 1.00 0.00 O ATOM 1217 CB VAL A 81 5.111 -7.413 -16.204 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.713 -8.289 -17.393 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.370 -7.953 -15.521 1.00 0.00 C ATOM 0 H VAL A 81 3.340 -5.729 -15.939 1.00 0.00 H new ATOM 0 HA VAL A 81 6.166 -5.582 -16.085 1.00 0.00 H new ATOM 0 HB VAL A 81 4.297 -7.443 -15.479 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.582 -9.318 -17.059 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.778 -7.924 -17.817 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.495 -8.250 -18.151 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.207 -8.989 -15.224 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.210 -7.902 -16.214 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.591 -7.353 -14.638 1.00 0.00 H new ATOM 1229 N ASP A 82 4.556 -5.664 -18.907 1.00 0.00 N ATOM 1230 CA ASP A 82 4.703 -5.515 -20.346 1.00 0.00 C ATOM 1231 C ASP A 82 4.912 -4.037 -20.681 1.00 0.00 C ATOM 1232 O ASP A 82 4.843 -3.646 -21.846 1.00 0.00 O ATOM 1233 CB ASP A 82 3.449 -5.993 -21.080 1.00 0.00 C ATOM 1234 CG ASP A 82 3.709 -6.718 -22.401 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.838 -7.235 -22.553 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.775 -6.738 -23.231 1.00 0.00 O ATOM 0 H ASP A 82 3.593 -5.644 -18.572 1.00 0.00 H new ATOM 0 HA ASP A 82 5.556 -6.115 -20.662 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.893 -6.659 -20.421 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.810 -5.132 -21.275 1.00 0.00 H new ATOM 1241 N SER A 83 5.166 -3.257 -19.641 1.00 0.00 N ATOM 1242 CA SER A 83 5.387 -1.831 -19.812 1.00 0.00 C ATOM 1243 C SER A 83 6.777 -1.451 -19.299 1.00 0.00 C ATOM 1244 O SER A 83 6.994 -0.322 -18.862 1.00 0.00 O ATOM 1245 CB SER A 83 4.312 -1.017 -19.087 1.00 0.00 C ATOM 1246 OG SER A 83 4.375 0.367 -19.421 1.00 0.00 O ATOM 0 H SER A 83 5.224 -3.585 -18.677 1.00 0.00 H new ATOM 0 HA SER A 83 5.324 -1.600 -20.875 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.327 -1.407 -19.343 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.432 -1.136 -18.010 1.00 0.00 H new ATOM 0 HG SER A 83 5.303 0.677 -19.359 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.598 11.078 -5.232 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.888 11.464 -6.439 1.00 0.00 C ATOM 1380 C PRO B 124 -4.491 10.841 -6.478 1.00 0.00 C ATOM 1381 O PRO B 124 -3.496 11.547 -6.635 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.860 12.984 -6.411 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.141 13.378 -4.970 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.671 12.152 -4.246 1.00 0.00 C ATOM 0 HA PRO B 124 -6.375 11.104 -7.345 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.892 13.363 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.610 13.401 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.233 13.742 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.869 14.189 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.071 11.922 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.694 12.306 -3.903 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.461 9.525 -6.331 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.202 8.798 -6.346 1.00 0.00 C ATOM 1394 C LEU B 125 -2.317 9.297 -5.202 1.00 0.00 C ATOM 1395 O LEU B 125 -2.399 10.461 -4.811 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.543 8.899 -7.723 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.100 7.968 -8.803 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.658 8.419 -10.196 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.716 6.513 -8.524 1.00 0.00 C ATOM 0 H LEU B 125 -5.288 8.943 -6.201 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.373 7.735 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.636 9.927 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.478 8.696 -7.610 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.188 8.025 -8.775 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.067 7.741 -10.945 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.022 9.429 -10.384 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.570 8.409 -10.253 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.124 5.873 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.630 6.420 -8.509 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.120 6.209 -7.558 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.469 8.368 -4.685 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.569 8.702 -3.595 1.00 0.00 C ATOM 1413 C PRO B 126 0.605 9.547 -4.092 1.00 0.00 C ATOM 1414 O PRO B 126 0.836 9.649 -5.295 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.136 7.363 -3.019 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.437 6.330 -4.093 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.345 6.981 -5.124 1.00 0.00 C ATOM 0 HA PRO B 126 -1.044 9.315 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO B 126 0.925 7.370 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.678 7.140 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.485 5.985 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.920 5.455 -3.657 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.917 6.919 -6.124 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.317 6.489 -5.162 1.00 0.00 H new ATOM 1425 N PRO B 127 1.335 10.148 -3.113 1.00 0.00 N ATOM 1426 CA PRO B 127 2.481 10.981 -3.439 1.00 0.00 C ATOM 1427 C PRO B 127 3.679 10.127 -3.858 1.00 0.00 C ATOM 1428 O PRO B 127 4.161 9.303 -3.081 1.00 0.00 O ATOM 1429 CB PRO B 127 2.742 11.798 -2.184 1.00 0.00 C ATOM 1430 CG PRO B 127 2.037 11.064 -1.055 1.00 0.00 C ATOM 1431 CD PRO B 127 1.091 10.049 -1.677 1.00 0.00 C ATOM 0 HA PRO B 127 2.298 11.634 -4.292 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.811 11.882 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.357 12.812 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.763 10.566 -0.412 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.486 11.766 -0.429 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.292 9.043 -1.309 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.053 10.275 -1.435 1.00 0.00 H new ATOM 1439 N LEU B 128 4.125 10.352 -5.085 1.00 0.00 N ATOM 1440 CA LEU B 128 5.258 9.613 -5.615 1.00 0.00 C ATOM 1441 C LEU B 128 6.506 9.939 -4.792 1.00 0.00 C ATOM 1442 O LEU B 128 6.776 11.104 -4.502 1.00 0.00 O ATOM 1443 CB LEU B 128 5.421 9.885 -7.113 1.00 0.00 C ATOM 1444 CG LEU B 128 4.534 9.057 -8.045 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.876 9.329 -9.511 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.618 7.569 -7.703 1.00 0.00 C ATOM 0 H LEU B 128 3.723 11.035 -5.727 1.00 0.00 H new ATOM 0 HA LEU B 128 5.088 8.540 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.219 10.941 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.462 9.709 -7.383 1.00 0.00 H new ATOM 0 HG LEU B 128 3.499 9.363 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.231 8.728 -10.153 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.723 10.386 -9.730 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.918 9.067 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU B 128 3.978 7.003 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.648 7.229 -7.808 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.287 7.412 -6.676 1.00 0.00 H new ATOM 1458 N PRO B 129 7.253 8.862 -4.429 1.00 0.00 N ATOM 1459 CA PRO B 129 8.465 9.024 -3.644 1.00 0.00 C ATOM 1460 C PRO B 129 9.607 9.568 -4.505 1.00 0.00 C ATOM 1461 O PRO B 129 10.555 10.155 -3.986 1.00 0.00 O ATOM 1462 CB PRO B 129 8.754 7.642 -3.080 1.00 0.00 C ATOM 1463 CG PRO B 129 7.965 6.667 -3.939 1.00 0.00 C ATOM 1464 CD PRO B 129 6.964 7.469 -4.754 1.00 0.00 C ATOM 0 HA PRO B 129 8.353 9.753 -2.841 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.821 7.420 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.451 7.576 -2.035 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.633 6.110 -4.596 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.451 5.937 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.080 7.279 -5.821 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.939 7.206 -4.493 1.00 0.00 H new