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 -141:sc= 0.155 USER MOD Set 1.2: A 67 THR OG1 : rot -140:sc= -0.784 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 105:sc= -0.608 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 50 MET CE :methyl -175:sc= -0.235 (180deg=-0.245) 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 131:sc= 1.72 USER MOD Single : A 76 ASN : amide:sc= -9.83! C(o=-9.8!,f=-18!) USER MOD Single : A 77 TYR OH : rot 18:sc= -0.282 USER MOD Single : A 83 SER OG : rot -41:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.376 -8.734 -15.402 1.00 0.00 N ATOM 324 CA ILE A 26 -2.585 -7.524 -15.553 1.00 0.00 C ATOM 325 C ILE A 26 -1.523 -7.476 -14.452 1.00 0.00 C ATOM 326 O ILE A 26 -1.821 -7.123 -13.313 1.00 0.00 O ATOM 327 CB ILE A 26 -3.492 -6.292 -15.588 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.241 -6.202 -16.918 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.697 -5.019 -15.290 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.357 -5.589 -18.006 1.00 0.00 C ATOM 0 HA ILE A 26 -2.057 -7.529 -16.507 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.241 -6.395 -14.803 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.564 -7.197 -17.225 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.140 -5.599 -16.793 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.364 -4.158 -15.321 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.247 -5.094 -14.300 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.912 -4.897 -16.037 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.914 -5.537 -18.941 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.055 -4.585 -17.707 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.471 -6.208 -18.146 1.00 0.00 H new ATOM 342 N ILE A 27 -0.306 -7.835 -14.833 1.00 0.00 N ATOM 343 CA ILE A 27 0.802 -7.835 -13.893 1.00 0.00 C ATOM 344 C ILE A 27 1.482 -6.465 -13.911 1.00 0.00 C ATOM 345 O ILE A 27 1.855 -5.967 -14.973 1.00 0.00 O ATOM 346 CB ILE A 27 1.753 -8.997 -14.187 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.975 -10.278 -14.494 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.751 -9.192 -13.043 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.408 -10.895 -13.214 1.00 0.00 C ATOM 0 H ILE A 27 -0.063 -8.128 -15.779 1.00 0.00 H new ATOM 0 HA ILE A 27 0.440 -7.998 -12.878 1.00 0.00 H new ATOM 0 HB ILE A 27 2.330 -8.749 -15.078 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.163 -10.057 -15.186 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.630 -10.996 -14.989 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.415 -10.024 -13.277 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.339 -8.283 -12.914 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.210 -9.408 -12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.140 -11.804 -13.460 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.225 -11.137 -12.534 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.265 -10.184 -12.735 1.00 0.00 H new ATOM 361 N VAL A 28 1.623 -5.894 -12.723 1.00 0.00 N ATOM 362 CA VAL A 28 2.251 -4.591 -12.590 1.00 0.00 C ATOM 363 C VAL A 28 3.253 -4.628 -11.434 1.00 0.00 C ATOM 364 O VAL A 28 2.936 -5.112 -10.349 1.00 0.00 O ATOM 365 CB VAL A 28 1.183 -3.510 -12.419 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.320 -3.388 -13.677 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.319 -3.782 -11.187 1.00 0.00 C ATOM 0 H VAL A 28 1.313 -6.310 -11.845 1.00 0.00 H new ATOM 0 HA VAL A 28 2.806 -4.341 -13.494 1.00 0.00 H new ATOM 0 HB VAL A 28 1.692 -2.558 -12.267 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.431 -2.612 -13.529 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.950 -3.125 -14.527 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.174 -4.340 -13.873 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.432 -2.998 -11.089 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.176 -4.747 -11.295 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.948 -3.795 -10.297 1.00 0.00 H new ATOM 377 N VAL A 29 4.442 -4.112 -11.707 1.00 0.00 N ATOM 378 CA VAL A 29 5.493 -4.080 -10.703 1.00 0.00 C ATOM 379 C VAL A 29 5.430 -2.752 -9.947 1.00 0.00 C ATOM 380 O VAL A 29 5.311 -1.691 -10.558 1.00 0.00 O ATOM 381 CB VAL A 29 6.852 -4.331 -11.359 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.391 -3.055 -12.010 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.853 -4.897 -10.351 1.00 0.00 C ATOM 0 H VAL A 29 4.702 -3.713 -12.609 1.00 0.00 H new ATOM 0 HA VAL A 29 5.348 -4.877 -9.973 1.00 0.00 H new ATOM 0 HB VAL A 29 6.712 -5.074 -12.144 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.358 -3.261 -12.469 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.692 -2.713 -12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.507 -2.281 -11.252 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.810 -5.066 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.986 -4.189 -9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.477 -5.841 -9.956 1.00 0.00 H new ATOM 393 N ALA A 30 5.513 -2.853 -8.629 1.00 0.00 N ATOM 394 CA ALA A 30 5.467 -1.674 -7.782 1.00 0.00 C ATOM 395 C ALA A 30 6.654 -0.767 -8.114 1.00 0.00 C ATOM 396 O ALA A 30 7.805 -1.200 -8.058 1.00 0.00 O ATOM 397 CB ALA A 30 5.452 -2.099 -6.313 1.00 0.00 C ATOM 0 H ALA A 30 5.612 -3.735 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 30 4.555 -1.106 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.418 -1.213 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.575 -2.717 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.353 -2.670 -6.090 1.00 0.00 H new ATOM 403 N LEU A 31 6.335 0.474 -8.451 1.00 0.00 N ATOM 404 CA LEU A 31 7.362 1.445 -8.792 1.00 0.00 C ATOM 405 C LEU A 31 7.971 2.007 -7.506 1.00 0.00 C ATOM 406 O LEU A 31 9.046 2.605 -7.534 1.00 0.00 O ATOM 407 CB LEU A 31 6.795 2.518 -9.725 1.00 0.00 C ATOM 408 CG LEU A 31 6.371 2.041 -11.115 1.00 0.00 C ATOM 409 CD1 LEU A 31 5.890 3.213 -11.973 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.496 1.258 -11.793 1.00 0.00 C ATOM 0 H LEU A 31 5.380 0.830 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 31 8.170 0.968 -9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.932 2.974 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.544 3.301 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 31 5.529 1.359 -11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.594 2.847 -12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.036 3.690 -11.492 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.696 3.938 -12.083 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.168 0.931 -12.780 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.373 1.897 -11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.750 0.388 -11.188 1.00 0.00 H new ATOM 422 N TYR A 32 7.260 1.796 -6.409 1.00 0.00 N ATOM 423 CA TYR A 32 7.718 2.275 -5.116 1.00 0.00 C ATOM 424 C TYR A 32 7.047 1.503 -3.977 1.00 0.00 C ATOM 425 O TYR A 32 5.902 1.073 -4.104 1.00 0.00 O ATOM 426 CB TYR A 32 7.298 3.744 -5.037 1.00 0.00 C ATOM 427 CG TYR A 32 7.391 4.490 -6.369 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.600 5.010 -6.785 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.267 4.642 -7.155 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.689 5.713 -8.039 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.356 5.345 -8.410 1.00 0.00 C ATOM 432 CZ TYR A 32 7.562 5.845 -8.790 1.00 0.00 C ATOM 433 OH TYR A 32 7.645 6.508 -9.974 1.00 0.00 O ATOM 0 H TYR A 32 6.369 1.299 -6.389 1.00 0.00 H new ATOM 0 HA TYR A 32 8.795 2.143 -5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.272 3.799 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.925 4.251 -4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.480 4.890 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.321 4.234 -6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.629 6.126 -8.375 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.484 5.472 -9.035 1.00 0.00 H new ATOM 0 HH TYR A 32 6.764 6.524 -10.403 1.00 0.00 H new ATOM 443 N ASP A 33 7.789 1.353 -2.890 1.00 0.00 N ATOM 444 CA ASP A 33 7.282 0.641 -1.730 1.00 0.00 C ATOM 445 C ASP A 33 5.982 1.300 -1.261 1.00 0.00 C ATOM 446 O ASP A 33 5.877 2.525 -1.238 1.00 0.00 O ATOM 447 CB ASP A 33 8.281 0.690 -0.572 1.00 0.00 C ATOM 448 CG ASP A 33 9.686 0.189 -0.909 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.496 1.029 -1.359 1.00 0.00 O ATOM 450 OD2 ASP A 33 9.920 -1.023 -0.710 1.00 0.00 O ATOM 0 H ASP A 33 8.738 1.713 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 33 7.115 -0.397 -2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.353 1.718 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.888 0.096 0.253 1.00 0.00 H new ATOM 455 N TYR A 34 5.026 0.457 -0.899 1.00 0.00 N ATOM 456 CA TYR A 34 3.739 0.941 -0.433 1.00 0.00 C ATOM 457 C TYR A 34 3.231 0.106 0.744 1.00 0.00 C ATOM 458 O TYR A 34 3.182 -1.121 0.663 1.00 0.00 O ATOM 459 CB TYR A 34 2.775 0.780 -1.611 1.00 0.00 C ATOM 460 CG TYR A 34 1.386 1.371 -1.364 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.173 2.725 -1.527 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.345 0.550 -0.977 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.135 3.281 -1.295 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.963 1.107 -0.745 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.138 2.445 -0.915 1.00 0.00 C ATOM 466 OH TYR A 34 -2.373 2.969 -0.695 1.00 0.00 O ATOM 0 H TYR A 34 5.118 -0.559 -0.919 1.00 0.00 H new ATOM 0 HA TYR A 34 3.818 1.974 -0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.210 1.255 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.672 -0.281 -1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.987 3.367 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.512 -0.509 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.315 4.338 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.786 0.476 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.963 2.742 -1.444 1.00 0.00 H new ATOM 476 N GLU A 35 2.867 0.803 1.810 1.00 0.00 N ATOM 477 CA GLU A 35 2.365 0.140 3.002 1.00 0.00 C ATOM 478 C GLU A 35 0.960 0.645 3.338 1.00 0.00 C ATOM 479 O GLU A 35 0.737 1.200 4.414 1.00 0.00 O ATOM 480 CB GLU A 35 3.318 0.341 4.183 1.00 0.00 C ATOM 481 CG GLU A 35 3.982 -0.977 4.582 1.00 0.00 C ATOM 482 CD GLU A 35 4.131 -1.079 6.101 1.00 0.00 C ATOM 483 OE1 GLU A 35 3.210 -0.597 6.794 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.162 -1.638 6.534 1.00 0.00 O ATOM 0 H GLU A 35 2.910 1.820 1.874 1.00 0.00 H new ATOM 0 HA GLU A 35 2.307 -0.930 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.082 1.072 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.769 0.748 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.388 -1.813 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.962 -1.051 4.111 1.00 0.00 H new ATOM 491 N ALA A 36 0.051 0.434 2.399 1.00 0.00 N ATOM 492 CA ALA A 36 -1.327 0.860 2.582 1.00 0.00 C ATOM 493 C ALA A 36 -1.346 2.223 3.279 1.00 0.00 C ATOM 494 O ALA A 36 -1.394 2.295 4.507 1.00 0.00 O ATOM 495 CB ALA A 36 -2.092 -0.206 3.367 1.00 0.00 C ATOM 0 H ALA A 36 0.241 -0.026 1.509 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.824 0.974 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.125 0.114 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.073 -1.147 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.624 -0.347 4.341 1.00 0.00 H new ATOM 569 N ASP A 41 -6.788 -0.620 0.756 1.00 0.00 N ATOM 570 CA ASP A 41 -5.606 -0.602 -0.088 1.00 0.00 C ATOM 571 C ASP A 41 -4.654 -1.715 0.352 1.00 0.00 C ATOM 572 O ASP A 41 -4.553 -2.017 1.540 1.00 0.00 O ATOM 573 CB ASP A 41 -4.864 0.730 0.033 1.00 0.00 C ATOM 574 CG ASP A 41 -5.202 1.761 -1.046 1.00 0.00 C ATOM 575 OD1 ASP A 41 -5.878 1.362 -2.019 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.777 2.924 -0.875 1.00 0.00 O ATOM 0 HA ASP A 41 -5.926 -0.744 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.083 1.163 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.792 0.535 0.004 1.00 0.00 H new ATOM 581 N LEU A 42 -3.980 -2.295 -0.630 1.00 0.00 N ATOM 582 CA LEU A 42 -3.039 -3.369 -0.358 1.00 0.00 C ATOM 583 C LEU A 42 -1.636 -2.783 -0.189 1.00 0.00 C ATOM 584 O LEU A 42 -1.338 -1.715 -0.722 1.00 0.00 O ATOM 585 CB LEU A 42 -3.128 -4.447 -1.442 1.00 0.00 C ATOM 586 CG LEU A 42 -2.486 -5.793 -1.104 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.383 -6.609 -0.172 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.128 -6.565 -2.376 1.00 0.00 C ATOM 0 H LEU A 42 -4.066 -2.042 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.291 -3.868 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.180 -4.616 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.661 -4.062 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.555 -5.603 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.903 -7.562 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.544 -6.056 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.342 -6.791 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.673 -7.518 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.031 -6.746 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.424 -5.982 -2.970 1.00 0.00 H new ATOM 600 N SER A 43 -0.813 -3.506 0.556 1.00 0.00 N ATOM 601 CA SER A 43 0.551 -3.071 0.803 1.00 0.00 C ATOM 602 C SER A 43 1.531 -3.958 0.033 1.00 0.00 C ATOM 603 O SER A 43 1.381 -5.178 0.008 1.00 0.00 O ATOM 604 CB SER A 43 0.875 -3.095 2.298 1.00 0.00 C ATOM 605 OG SER A 43 0.604 -4.366 2.882 1.00 0.00 O ATOM 0 H SER A 43 -1.065 -4.391 0.997 1.00 0.00 H new ATOM 0 HA SER A 43 0.650 -2.043 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.926 -2.845 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.290 -2.329 2.808 1.00 0.00 H new ATOM 0 HG SER A 43 0.825 -4.341 3.836 1.00 0.00 H new ATOM 611 N PHE A 44 2.513 -3.309 -0.576 1.00 0.00 N ATOM 612 CA PHE A 44 3.517 -4.024 -1.345 1.00 0.00 C ATOM 613 C PHE A 44 4.885 -3.347 -1.225 1.00 0.00 C ATOM 614 O PHE A 44 5.059 -2.430 -0.423 1.00 0.00 O ATOM 615 CB PHE A 44 3.071 -3.989 -2.808 1.00 0.00 C ATOM 616 CG PHE A 44 2.571 -2.619 -3.273 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.452 -1.705 -3.762 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.248 -2.316 -3.197 1.00 0.00 C ATOM 619 CE1 PHE A 44 2.989 -0.434 -4.194 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.785 -1.046 -3.629 1.00 0.00 C ATOM 621 CZ PHE A 44 1.665 -0.131 -4.118 1.00 0.00 C ATOM 0 H PHE A 44 2.634 -2.297 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 44 3.612 -5.044 -0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.906 -4.293 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.278 -4.722 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.503 -1.946 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.549 -3.042 -2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.688 0.292 -4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.266 -0.806 -3.570 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.313 0.836 -4.446 1.00 0.00 H new ATOM 631 N GLN A 45 5.819 -3.824 -2.034 1.00 0.00 N ATOM 632 CA GLN A 45 7.165 -3.277 -2.028 1.00 0.00 C ATOM 633 C GLN A 45 7.602 -2.928 -3.453 1.00 0.00 C ATOM 634 O GLN A 45 7.049 -3.448 -4.420 1.00 0.00 O ATOM 635 CB GLN A 45 8.150 -4.248 -1.375 1.00 0.00 C ATOM 636 CG GLN A 45 8.009 -4.230 0.149 1.00 0.00 C ATOM 637 CD GLN A 45 8.693 -5.446 0.777 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.898 -5.486 0.963 1.00 0.00 O ATOM 639 NE2 GLN A 45 7.859 -6.433 1.092 1.00 0.00 N ATOM 0 H GLN A 45 5.670 -4.584 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 45 7.161 -2.363 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.973 -5.257 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.169 -3.979 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.448 -3.315 0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.953 -4.222 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.860 -6.335 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.218 -7.288 1.516 1.00 0.00 H new ATOM 648 N LYS A 46 8.591 -2.050 -3.535 1.00 0.00 N ATOM 649 CA LYS A 46 9.108 -1.626 -4.826 1.00 0.00 C ATOM 650 C LYS A 46 9.784 -2.813 -5.514 1.00 0.00 C ATOM 651 O LYS A 46 10.904 -3.183 -5.164 1.00 0.00 O ATOM 652 CB LYS A 46 10.021 -0.408 -4.662 1.00 0.00 C ATOM 653 CG LYS A 46 10.443 0.147 -6.025 1.00 0.00 C ATOM 654 CD LYS A 46 11.875 0.684 -5.977 1.00 0.00 C ATOM 655 CE LYS A 46 12.607 0.410 -7.293 1.00 0.00 C ATOM 656 NZ LYS A 46 14.025 0.820 -7.192 1.00 0.00 N ATOM 0 H LYS A 46 9.048 -1.621 -2.730 1.00 0.00 H new ATOM 0 HA LYS A 46 8.295 -1.302 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.503 0.365 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.905 -0.686 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.369 -0.636 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.762 0.943 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.859 1.756 -5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.415 0.218 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.545 -0.651 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.123 0.952 -8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.507 0.627 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.078 1.837 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.488 0.284 -6.430 1.00 0.00 H new ATOM 670 N GLY A 47 9.076 -3.378 -6.481 1.00 0.00 N ATOM 671 CA GLY A 47 9.594 -4.515 -7.222 1.00 0.00 C ATOM 672 C GLY A 47 8.655 -5.718 -7.106 1.00 0.00 C ATOM 673 O GLY A 47 8.887 -6.752 -7.729 1.00 0.00 O ATOM 0 H GLY A 47 8.147 -3.069 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.717 -4.245 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.581 -4.781 -6.844 1.00 0.00 H new ATOM 677 N ASP A 48 7.616 -5.542 -6.303 1.00 0.00 N ATOM 678 CA ASP A 48 6.643 -6.600 -6.096 1.00 0.00 C ATOM 679 C ASP A 48 5.649 -6.607 -7.260 1.00 0.00 C ATOM 680 O ASP A 48 5.311 -5.554 -7.798 1.00 0.00 O ATOM 681 CB ASP A 48 5.854 -6.379 -4.804 1.00 0.00 C ATOM 682 CG ASP A 48 5.830 -7.575 -3.849 1.00 0.00 C ATOM 683 OD1 ASP A 48 6.837 -7.746 -3.128 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.806 -8.291 -3.862 1.00 0.00 O ATOM 0 H ASP A 48 7.427 -4.682 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 48 7.182 -7.545 -6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.277 -5.523 -4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.828 -6.119 -5.063 1.00 0.00 H new ATOM 689 N GLN A 49 5.209 -7.806 -7.614 1.00 0.00 N ATOM 690 CA GLN A 49 4.261 -7.963 -8.703 1.00 0.00 C ATOM 691 C GLN A 49 2.876 -8.313 -8.156 1.00 0.00 C ATOM 692 O GLN A 49 2.758 -9.066 -7.191 1.00 0.00 O ATOM 693 CB GLN A 49 4.741 -9.023 -9.698 1.00 0.00 C ATOM 694 CG GLN A 49 6.105 -8.650 -10.281 1.00 0.00 C ATOM 695 CD GLN A 49 6.031 -8.505 -11.803 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.479 -9.353 -12.555 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.439 -7.386 -12.211 1.00 0.00 N ATOM 0 H GLN A 49 5.492 -8.677 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 49 4.190 -7.015 -9.236 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.807 -9.991 -9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.014 -9.127 -10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.450 -7.715 -9.840 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.837 -9.414 -10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.086 -6.717 -11.527 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.338 -7.197 -13.208 1.00 0.00 H new ATOM 706 N MET A 50 1.862 -7.749 -8.796 1.00 0.00 N ATOM 707 CA MET A 50 0.490 -7.992 -8.386 1.00 0.00 C ATOM 708 C MET A 50 -0.393 -8.323 -9.590 1.00 0.00 C ATOM 709 O MET A 50 -0.162 -7.823 -10.690 1.00 0.00 O ATOM 710 CB MET A 50 -0.058 -6.751 -7.678 1.00 0.00 C ATOM 711 CG MET A 50 0.883 -6.297 -6.560 1.00 0.00 C ATOM 712 SD MET A 50 0.418 -4.669 -5.992 1.00 0.00 S ATOM 713 CE MET A 50 1.794 -3.719 -6.616 1.00 0.00 C ATOM 0 H MET A 50 1.964 -7.124 -9.596 1.00 0.00 H new ATOM 0 HA MET A 50 0.480 -8.845 -7.707 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.188 -5.944 -8.399 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.042 -6.969 -7.264 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.845 -7.005 -5.732 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.911 -6.285 -6.922 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.709 -2.688 -6.273 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.727 -4.148 -6.251 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.787 -3.741 -7.706 1.00 0.00 H new ATOM 723 N VAL A 51 -1.386 -9.165 -9.342 1.00 0.00 N ATOM 724 CA VAL A 51 -2.304 -9.569 -10.394 1.00 0.00 C ATOM 725 C VAL A 51 -3.534 -8.661 -10.368 1.00 0.00 C ATOM 726 O VAL A 51 -4.488 -8.923 -9.636 1.00 0.00 O ATOM 727 CB VAL A 51 -2.653 -11.052 -10.242 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.806 -11.441 -11.168 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.426 -11.932 -10.494 1.00 0.00 C ATOM 0 H VAL A 51 -1.575 -9.578 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.837 -9.456 -11.372 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.978 -11.217 -9.215 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.034 -12.499 -11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.687 -10.848 -10.922 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.520 -11.254 -12.203 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.701 -12.981 -10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.057 -11.761 -11.506 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.645 -11.681 -9.776 1.00 0.00 H new ATOM 739 N VAL A 52 -3.472 -7.611 -11.173 1.00 0.00 N ATOM 740 CA VAL A 52 -4.570 -6.661 -11.252 1.00 0.00 C ATOM 741 C VAL A 52 -5.830 -7.385 -11.732 1.00 0.00 C ATOM 742 O VAL A 52 -5.850 -7.943 -12.828 1.00 0.00 O ATOM 743 CB VAL A 52 -4.179 -5.483 -12.145 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.421 -4.770 -12.685 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.268 -4.507 -11.398 1.00 0.00 C ATOM 0 H VAL A 52 -2.678 -7.396 -11.777 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.789 -6.246 -10.268 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.622 -5.877 -12.995 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.116 -3.936 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.017 -5.470 -13.271 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.016 -4.395 -11.852 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.005 -3.679 -12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.788 -4.122 -10.521 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.361 -5.023 -11.084 1.00 0.00 H new ATOM 755 N LEU A 53 -6.852 -7.351 -10.888 1.00 0.00 N ATOM 756 CA LEU A 53 -8.112 -7.995 -11.213 1.00 0.00 C ATOM 757 C LEU A 53 -9.107 -6.941 -11.705 1.00 0.00 C ATOM 758 O LEU A 53 -9.690 -7.086 -12.778 1.00 0.00 O ATOM 759 CB LEU A 53 -8.619 -8.812 -10.023 1.00 0.00 C ATOM 760 CG LEU A 53 -7.568 -9.643 -9.283 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.109 -10.142 -7.942 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.060 -10.790 -10.159 1.00 0.00 C ATOM 0 H LEU A 53 -6.832 -6.887 -9.980 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.976 -8.709 -12.025 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.082 -8.130 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.402 -9.483 -10.376 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.714 -9.001 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.343 -10.730 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.382 -9.290 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.988 -10.763 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.314 -11.365 -9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.893 -11.439 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.610 -10.384 -11.065 1.00 0.00 H new ATOM 774 N GLU A 54 -9.271 -5.906 -10.895 1.00 0.00 N ATOM 775 CA GLU A 54 -10.185 -4.828 -11.234 1.00 0.00 C ATOM 776 C GLU A 54 -9.426 -3.505 -11.353 1.00 0.00 C ATOM 777 O GLU A 54 -8.523 -3.230 -10.564 1.00 0.00 O ATOM 778 CB GLU A 54 -11.312 -4.723 -10.205 1.00 0.00 C ATOM 779 CG GLU A 54 -12.523 -5.556 -10.631 1.00 0.00 C ATOM 780 CD GLU A 54 -12.969 -5.190 -12.048 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.612 -4.127 -12.184 1.00 0.00 O ATOM 782 OE2 GLU A 54 -12.656 -5.981 -12.964 1.00 0.00 O ATOM 0 H GLU A 54 -8.787 -5.791 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.638 -5.052 -12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.955 -5.064 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.606 -3.680 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.273 -6.616 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.345 -5.393 -9.934 1.00 0.00 H new ATOM 822 N GLU A 58 -7.839 4.693 -11.129 1.00 0.00 N ATOM 823 CA GLU A 58 -6.426 4.763 -10.795 1.00 0.00 C ATOM 824 C GLU A 58 -6.013 3.537 -9.979 1.00 0.00 C ATOM 825 O GLU A 58 -5.155 2.765 -10.403 1.00 0.00 O ATOM 826 CB GLU A 58 -6.104 6.057 -10.045 1.00 0.00 C ATOM 827 CG GLU A 58 -6.581 7.280 -10.830 1.00 0.00 C ATOM 828 CD GLU A 58 -5.460 7.839 -11.708 1.00 0.00 C ATOM 829 OE1 GLU A 58 -4.602 7.028 -12.118 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.487 9.065 -11.951 1.00 0.00 O ATOM 0 HA GLU A 58 -5.852 4.768 -11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.580 6.041 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.029 6.126 -9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.434 7.007 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.924 8.049 -10.138 1.00 0.00 H new ATOM 837 N TRP A 59 -6.642 3.397 -8.821 1.00 0.00 N ATOM 838 CA TRP A 59 -6.351 2.279 -7.941 1.00 0.00 C ATOM 839 C TRP A 59 -7.008 1.029 -8.530 1.00 0.00 C ATOM 840 O TRP A 59 -8.174 1.062 -8.919 1.00 0.00 O ATOM 841 CB TRP A 59 -6.804 2.574 -6.510 1.00 0.00 C ATOM 842 CG TRP A 59 -6.326 3.924 -5.971 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.816 5.141 -6.244 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.236 4.147 -5.052 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.125 6.127 -5.570 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.134 5.504 -4.822 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.366 3.231 -4.434 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.175 6.067 -3.972 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.413 3.811 -3.588 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.297 5.174 -3.346 1.00 0.00 C ATOM 0 H TRP A 59 -7.353 4.040 -8.472 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.276 2.110 -7.877 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.893 2.544 -6.471 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.440 1.783 -5.854 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.647 5.327 -6.908 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.308 7.129 -5.613 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.428 2.165 -4.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.116 7.133 -3.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.719 3.152 -3.088 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.533 5.543 -2.678 1.00 0.00 H new ATOM 861 N TRP A 60 -6.231 -0.042 -8.578 1.00 0.00 N ATOM 862 CA TRP A 60 -6.723 -1.300 -9.114 1.00 0.00 C ATOM 863 C TRP A 60 -6.632 -2.354 -8.008 1.00 0.00 C ATOM 864 O TRP A 60 -5.783 -2.257 -7.123 1.00 0.00 O ATOM 865 CB TRP A 60 -5.959 -1.695 -10.379 1.00 0.00 C ATOM 866 CG TRP A 60 -5.714 -0.533 -11.346 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.474 0.553 -11.538 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.598 -0.387 -12.249 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.932 1.386 -12.496 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.755 0.796 -12.941 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.492 -1.227 -12.472 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.844 1.247 -13.904 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.592 -0.763 -13.438 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.735 0.426 -14.144 1.00 0.00 C ATOM 0 H TRP A 60 -5.264 -0.065 -8.255 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.765 -1.206 -9.421 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.999 -2.124 -10.092 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.515 -2.476 -10.898 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.395 0.752 -11.010 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.323 2.271 -12.818 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.349 -2.156 -11.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.989 2.177 -14.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.725 -1.371 -13.650 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.994 0.715 -14.874 1.00 0.00 H new ATOM 885 N LYS A 61 -7.517 -3.336 -8.094 1.00 0.00 N ATOM 886 CA LYS A 61 -7.547 -4.405 -7.112 1.00 0.00 C ATOM 887 C LYS A 61 -6.724 -5.588 -7.628 1.00 0.00 C ATOM 888 O LYS A 61 -7.215 -6.392 -8.419 1.00 0.00 O ATOM 889 CB LYS A 61 -8.990 -4.767 -6.758 1.00 0.00 C ATOM 890 CG LYS A 61 -9.035 -5.888 -5.715 1.00 0.00 C ATOM 891 CD LYS A 61 -10.046 -6.965 -6.112 1.00 0.00 C ATOM 892 CE LYS A 61 -10.753 -7.532 -4.879 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.182 -7.786 -5.173 1.00 0.00 N ATOM 0 H LYS A 61 -8.219 -3.413 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.087 -4.079 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.506 -3.887 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.521 -5.080 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.046 -6.333 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.302 -5.474 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.782 -6.544 -6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.537 -7.768 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.269 -8.458 -4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.665 -6.832 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.648 -8.171 -4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.644 -6.895 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.260 -8.471 -5.952 1.00 0.00 H new ATOM 907 N ALA A 62 -5.488 -5.659 -7.158 1.00 0.00 N ATOM 908 CA ALA A 62 -4.593 -6.731 -7.561 1.00 0.00 C ATOM 909 C ALA A 62 -4.220 -7.566 -6.335 1.00 0.00 C ATOM 910 O ALA A 62 -4.285 -7.083 -5.207 1.00 0.00 O ATOM 911 CB ALA A 62 -3.367 -6.137 -8.258 1.00 0.00 C ATOM 0 H ALA A 62 -5.084 -4.991 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.084 -7.394 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.695 -6.941 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.684 -5.578 -9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.847 -5.468 -7.572 1.00 0.00 H new ATOM 917 N ARG A 63 -3.839 -8.807 -6.599 1.00 0.00 N ATOM 918 CA ARG A 63 -3.455 -9.715 -5.532 1.00 0.00 C ATOM 919 C ARG A 63 -1.933 -9.870 -5.488 1.00 0.00 C ATOM 920 O ARG A 63 -1.318 -10.267 -6.476 1.00 0.00 O ATOM 921 CB ARG A 63 -4.096 -11.091 -5.721 1.00 0.00 C ATOM 922 CG ARG A 63 -3.306 -12.171 -4.980 1.00 0.00 C ATOM 923 CD ARG A 63 -2.508 -13.037 -5.957 1.00 0.00 C ATOM 924 NE ARG A 63 -3.432 -13.774 -6.849 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.102 -14.888 -7.516 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.870 -15.402 -7.394 1.00 0.00 N ATOM 927 NH2 ARG A 63 -4.004 -15.490 -8.304 1.00 0.00 N ATOM 0 H ARG A 63 -3.788 -9.205 -7.537 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.807 -9.289 -4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.123 -11.071 -5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.141 -11.332 -6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.628 -11.704 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.990 -12.798 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.840 -12.411 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.883 -13.740 -5.406 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.378 -13.411 -6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.184 -14.945 -6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.619 -16.250 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.942 -15.100 -8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.752 -16.338 -8.812 1.00 0.00 H new ATOM 941 N SER A 64 -1.371 -9.551 -4.332 1.00 0.00 N ATOM 942 CA SER A 64 0.067 -9.650 -4.146 1.00 0.00 C ATOM 943 C SER A 64 0.546 -11.056 -4.511 1.00 0.00 C ATOM 944 O SER A 64 -0.024 -12.048 -4.057 1.00 0.00 O ATOM 945 CB SER A 64 0.461 -9.312 -2.708 1.00 0.00 C ATOM 946 OG SER A 64 1.825 -9.628 -2.438 1.00 0.00 O ATOM 0 H SER A 64 -1.885 -9.224 -3.514 1.00 0.00 H new ATOM 0 HA SER A 64 0.547 -8.927 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.292 -8.251 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.181 -9.860 -2.018 1.00 0.00 H new ATOM 0 HG SER A 64 1.903 -9.993 -1.532 1.00 0.00 H new ATOM 952 N LEU A 65 1.589 -11.099 -5.327 1.00 0.00 N ATOM 953 CA LEU A 65 2.152 -12.368 -5.758 1.00 0.00 C ATOM 954 C LEU A 65 3.225 -12.809 -4.762 1.00 0.00 C ATOM 955 O LEU A 65 4.106 -13.598 -5.102 1.00 0.00 O ATOM 956 CB LEU A 65 2.653 -12.269 -7.200 1.00 0.00 C ATOM 957 CG LEU A 65 1.613 -12.534 -8.291 1.00 0.00 C ATOM 958 CD1 LEU A 65 2.176 -12.207 -9.676 1.00 0.00 C ATOM 959 CD2 LEU A 65 1.087 -13.967 -8.211 1.00 0.00 C ATOM 0 H LEU A 65 2.059 -10.275 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 65 1.386 -13.143 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.065 -11.271 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.473 -12.976 -7.328 1.00 0.00 H new ATOM 0 HG LEU A 65 0.765 -11.870 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.417 -12.404 -10.433 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.462 -11.156 -9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.051 -12.828 -9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.350 -14.128 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.914 -14.666 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.622 -14.130 -7.239 1.00 0.00 H new ATOM 971 N ALA A 66 3.117 -12.281 -3.551 1.00 0.00 N ATOM 972 CA ALA A 66 4.069 -12.611 -2.504 1.00 0.00 C ATOM 973 C ALA A 66 3.325 -13.251 -1.329 1.00 0.00 C ATOM 974 O ALA A 66 3.835 -14.175 -0.697 1.00 0.00 O ATOM 975 CB ALA A 66 4.834 -11.352 -2.093 1.00 0.00 C ATOM 0 H ALA A 66 2.385 -11.628 -3.272 1.00 0.00 H new ATOM 0 HA ALA A 66 4.801 -13.333 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.548 -11.600 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.368 -10.953 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.132 -10.605 -1.723 1.00 0.00 H new ATOM 981 N THR A 67 2.133 -12.734 -1.073 1.00 0.00 N ATOM 982 CA THR A 67 1.315 -13.243 0.014 1.00 0.00 C ATOM 983 C THR A 67 -0.067 -13.647 -0.502 1.00 0.00 C ATOM 984 O THR A 67 -0.920 -14.082 0.271 1.00 0.00 O ATOM 985 CB THR A 67 1.266 -12.176 1.110 1.00 0.00 C ATOM 986 OG1 THR A 67 1.227 -10.944 0.393 1.00 0.00 O ATOM 987 CG2 THR A 67 2.567 -12.099 1.911 1.00 0.00 C ATOM 0 H THR A 67 1.714 -11.968 -1.600 1.00 0.00 H new ATOM 0 HA THR A 67 1.745 -14.149 0.441 1.00 0.00 H new ATOM 0 HB THR A 67 0.436 -12.387 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.792 -10.284 0.846 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.479 -11.327 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.758 -13.061 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.392 -11.855 1.242 1.00 0.00 H new ATOM 995 N ARG A 68 -0.247 -13.488 -1.804 1.00 0.00 N ATOM 996 CA ARG A 68 -1.511 -13.831 -2.433 1.00 0.00 C ATOM 997 C ARG A 68 -2.647 -13.008 -1.824 1.00 0.00 C ATOM 998 O ARG A 68 -3.807 -13.416 -1.867 1.00 0.00 O ATOM 999 CB ARG A 68 -1.823 -15.320 -2.268 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.821 -16.179 -3.041 1.00 0.00 C ATOM 1001 CD ARG A 68 -1.476 -17.468 -3.542 1.00 0.00 C ATOM 1002 NE ARG A 68 -0.895 -18.636 -2.845 1.00 0.00 N ATOM 1003 CZ ARG A 68 0.294 -19.176 -3.147 1.00 0.00 C ATOM 1004 NH1 ARG A 68 1.034 -18.658 -4.135 1.00 0.00 N ATOM 1005 NH2 ARG A 68 0.741 -20.236 -2.460 1.00 0.00 N ATOM 0 H ARG A 68 0.462 -13.126 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.424 -13.606 -3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.796 -15.586 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.833 -15.525 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.428 -15.614 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.026 -16.423 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.552 -17.430 -3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.329 -17.566 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.433 -19.057 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.693 -17.852 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.939 -19.070 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.177 -20.631 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.646 -20.648 -2.689 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.275 -11.863 -1.270 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.248 -10.979 -0.653 1.00 0.00 C ATOM 1021 C LYS A 69 -4.144 -10.377 -1.737 1.00 0.00 C ATOM 1022 O LYS A 69 -3.941 -10.626 -2.924 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.547 -9.933 0.215 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.065 -10.546 1.532 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.068 -9.622 2.235 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.082 -9.850 3.747 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.185 -9.383 4.354 1.00 0.00 N ATOM 0 H LYS A 69 -1.312 -11.528 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.896 -11.538 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.699 -9.515 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.231 -9.110 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.918 -10.730 2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.597 -11.511 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.065 -9.800 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.315 -8.583 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.923 -9.319 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.225 -10.909 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.158 -9.545 5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.982 -9.908 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.306 -8.367 4.167 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.118 -9.597 -1.290 1.00 0.00 N ATOM 1042 CA GLU A 70 -6.045 -8.957 -2.207 1.00 0.00 C ATOM 1043 C GLU A 70 -6.490 -7.602 -1.655 1.00 0.00 C ATOM 1044 O GLU A 70 -7.051 -7.527 -0.563 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.250 -9.859 -2.484 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.942 -10.861 -3.598 1.00 0.00 C ATOM 1047 CD GLU A 70 -8.010 -11.955 -3.662 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.994 -11.744 -4.403 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.816 -12.978 -2.970 1.00 0.00 O ATOM 0 H GLU A 70 -5.285 -9.394 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.531 -8.789 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.525 -10.394 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.108 -9.249 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.890 -10.342 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.964 -11.312 -3.427 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.221 -6.564 -2.433 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.586 -5.216 -2.036 1.00 0.00 C ATOM 1058 C GLY A 71 -6.250 -4.208 -3.138 1.00 0.00 C ATOM 1059 O GLY A 71 -5.457 -4.503 -4.031 1.00 0.00 O ATOM 0 H GLY A 71 -5.754 -6.630 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.652 -5.175 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.059 -4.948 -1.120 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.870 -3.042 -3.038 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.647 -1.991 -4.015 1.00 0.00 C ATOM 1065 C TYR A 72 -5.227 -1.432 -3.907 1.00 0.00 C ATOM 1066 O TYR A 72 -4.702 -1.272 -2.806 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.646 -0.882 -3.677 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.101 -1.240 -3.987 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.427 -1.815 -5.198 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.087 -0.985 -3.055 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.797 -2.151 -5.490 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.456 -1.321 -3.347 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.745 -1.888 -4.549 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.037 -2.205 -4.824 1.00 0.00 O ATOM 0 H TYR A 72 -7.527 -2.802 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.775 -2.375 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.560 -0.640 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.377 0.017 -4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.655 -2.013 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.832 -0.534 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.066 -2.601 -6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.237 -1.127 -2.627 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.603 -1.962 -4.062 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.645 -1.152 -5.064 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.296 -0.615 -5.111 1.00 0.00 C ATOM 1086 C ILE A 73 -3.248 0.547 -6.105 1.00 0.00 C ATOM 1087 O ILE A 73 -4.027 0.587 -7.058 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.288 -1.725 -5.416 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.658 -2.465 -6.702 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.147 -2.679 -4.227 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.526 -2.382 -7.728 1.00 0.00 C ATOM 0 H ILE A 73 -5.083 -1.287 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.012 -0.215 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.313 -1.265 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.873 -3.509 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.567 -2.037 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.425 -3.459 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.803 -2.124 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.113 -3.134 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.815 -2.916 -8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.330 -1.337 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.625 -2.833 -7.313 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.303 1.489 -5.845 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.145 2.649 -6.705 1.00 0.00 C ATOM 1105 C PRO A 74 -1.453 2.268 -8.016 1.00 0.00 C ATOM 1106 O PRO A 74 -0.464 1.538 -8.010 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.347 3.645 -5.879 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.692 2.838 -4.771 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.365 1.475 -4.727 1.00 0.00 C ATOM 0 HA PRO A 74 -3.098 3.080 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.598 4.148 -6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.995 4.419 -5.468 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.377 2.730 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.799 3.348 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.637 0.670 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.880 1.318 -3.779 1.00 0.00 H new ATOM 1117 N SER A 75 -2.001 2.782 -9.108 1.00 0.00 N ATOM 1118 CA SER A 75 -1.449 2.504 -10.423 1.00 0.00 C ATOM 1119 C SER A 75 -0.213 3.374 -10.665 1.00 0.00 C ATOM 1120 O SER A 75 0.701 2.973 -11.385 1.00 0.00 O ATOM 1121 CB SER A 75 -2.489 2.744 -11.519 1.00 0.00 C ATOM 1122 OG SER A 75 -1.885 2.955 -12.792 1.00 0.00 O ATOM 0 H SER A 75 -2.821 3.389 -9.109 1.00 0.00 H new ATOM 0 HA SER A 75 -1.160 1.454 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.161 1.888 -11.574 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.097 3.610 -11.258 1.00 0.00 H new ATOM 0 HG SER A 75 -2.317 2.381 -13.458 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.225 4.547 -10.051 1.00 0.00 N ATOM 1129 CA ASN A 76 0.883 5.477 -10.191 1.00 0.00 C ATOM 1130 C ASN A 76 2.107 4.919 -9.461 1.00 0.00 C ATOM 1131 O ASN A 76 3.201 5.472 -9.563 1.00 0.00 O ATOM 1132 CB ASN A 76 0.545 6.835 -9.575 1.00 0.00 C ATOM 1133 CG ASN A 76 0.650 6.787 -8.049 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.586 5.738 -7.430 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.816 7.977 -7.480 1.00 0.00 N ATOM 0 H ASN A 76 -0.985 4.876 -9.455 1.00 0.00 H new ATOM 0 HA ASN A 76 1.083 5.604 -11.255 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.222 7.594 -9.966 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.464 7.129 -9.865 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.898 8.050 -6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.861 8.817 -8.057 1.00 0.00 H new ATOM 1142 N TYR A 77 1.881 3.828 -8.743 1.00 0.00 N ATOM 1143 CA TYR A 77 2.951 3.190 -7.997 1.00 0.00 C ATOM 1144 C TYR A 77 3.275 1.810 -8.574 1.00 0.00 C ATOM 1145 O TYR A 77 3.975 1.018 -7.945 1.00 0.00 O ATOM 1146 CB TYR A 77 2.427 3.021 -6.569 1.00 0.00 C ATOM 1147 CG TYR A 77 3.077 3.961 -5.552 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.099 5.321 -5.785 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.643 3.450 -4.402 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.710 6.207 -4.829 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.255 4.335 -3.445 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.258 5.670 -3.706 1.00 0.00 C ATOM 1153 OH TYR A 77 4.836 6.506 -2.802 1.00 0.00 O ATOM 0 H TYR A 77 0.973 3.371 -8.663 1.00 0.00 H new ATOM 0 HA TYR A 77 3.860 3.790 -8.041 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.350 3.188 -6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.591 1.991 -6.253 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.657 5.721 -6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.627 2.386 -4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.733 7.273 -5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.701 3.948 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 77 4.526 7.422 -2.959 1.00 0.00 H new ATOM 1163 N VAL A 78 2.749 1.565 -9.765 1.00 0.00 N ATOM 1164 CA VAL A 78 2.973 0.295 -10.435 1.00 0.00 C ATOM 1165 C VAL A 78 3.232 0.547 -11.922 1.00 0.00 C ATOM 1166 O VAL A 78 2.999 1.648 -12.420 1.00 0.00 O ATOM 1167 CB VAL A 78 1.792 -0.645 -10.185 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.386 -0.633 -8.709 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.605 -0.285 -11.082 1.00 0.00 C ATOM 0 H VAL A 78 2.168 2.224 -10.283 1.00 0.00 H new ATOM 0 HA VAL A 78 3.856 -0.200 -10.030 1.00 0.00 H new ATOM 0 HB VAL A 78 2.109 -1.657 -10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.545 -1.309 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.228 -0.958 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.096 0.377 -8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.221 -0.968 -10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.288 0.737 -10.874 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.901 -0.367 -12.128 1.00 0.00 H new ATOM 1179 N ALA A 79 3.710 -0.493 -12.591 1.00 0.00 N ATOM 1180 CA ALA A 79 4.003 -0.399 -14.011 1.00 0.00 C ATOM 1181 C ALA A 79 3.910 -1.790 -14.640 1.00 0.00 C ATOM 1182 O ALA A 79 4.729 -2.661 -14.352 1.00 0.00 O ATOM 1183 CB ALA A 79 5.380 0.239 -14.207 1.00 0.00 C ATOM 0 H ALA A 79 3.901 -1.405 -12.175 1.00 0.00 H new ATOM 0 HA ALA A 79 3.274 0.238 -14.512 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.600 0.310 -15.272 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.384 1.237 -13.769 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.138 -0.375 -13.720 1.00 0.00 H new ATOM 1189 N ARG A 80 2.904 -1.956 -15.487 1.00 0.00 N ATOM 1190 CA ARG A 80 2.693 -3.226 -16.159 1.00 0.00 C ATOM 1191 C ARG A 80 4.033 -3.836 -16.574 1.00 0.00 C ATOM 1192 O ARG A 80 4.914 -3.133 -17.068 1.00 0.00 O ATOM 1193 CB ARG A 80 1.814 -3.055 -17.398 1.00 0.00 C ATOM 1194 CG ARG A 80 0.361 -3.432 -17.098 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.282 -4.133 -18.295 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.404 -3.320 -18.816 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.135 -3.648 -19.890 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.866 -4.774 -20.565 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.134 -2.850 -20.290 1.00 0.00 N ATOM 0 H ARG A 80 2.226 -1.231 -15.723 1.00 0.00 H new ATOM 0 HA ARG A 80 2.188 -3.891 -15.458 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.861 -2.022 -17.742 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.195 -3.678 -18.207 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.324 -4.085 -16.226 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.207 -2.536 -16.849 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.460 -4.287 -19.078 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.643 -5.118 -17.999 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.635 -2.456 -18.327 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.105 -5.381 -20.261 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.422 -5.024 -21.383 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.338 -1.992 -19.777 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.690 -3.100 -21.108 1.00 0.00 H new ATOM 1213 N VAL A 81 4.147 -5.139 -16.357 1.00 0.00 N ATOM 1214 CA VAL A 81 5.365 -5.851 -16.703 1.00 0.00 C ATOM 1215 C VAL A 81 5.630 -5.702 -18.202 1.00 0.00 C ATOM 1216 O VAL A 81 6.782 -5.656 -18.631 1.00 0.00 O ATOM 1217 CB VAL A 81 5.262 -7.311 -16.257 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.846 -8.212 -17.421 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.576 -7.789 -15.636 1.00 0.00 C ATOM 0 H VAL A 81 3.416 -5.719 -15.946 1.00 0.00 H new ATOM 0 HA VAL A 81 6.219 -5.423 -16.178 1.00 0.00 H new ATOM 0 HB VAL A 81 4.488 -7.373 -15.492 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.780 -9.244 -17.077 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.875 -7.893 -17.799 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.586 -8.142 -18.218 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.475 -8.830 -15.328 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.377 -7.704 -16.370 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.813 -7.175 -14.767 1.00 0.00 H new ATOM 1229 N ASP A 82 4.545 -5.632 -18.959 1.00 0.00 N ATOM 1230 CA ASP A 82 4.646 -5.489 -20.402 1.00 0.00 C ATOM 1231 C ASP A 82 4.737 -4.004 -20.757 1.00 0.00 C ATOM 1232 O ASP A 82 4.600 -3.632 -21.922 1.00 0.00 O ATOM 1233 CB ASP A 82 3.414 -6.068 -21.100 1.00 0.00 C ATOM 1234 CG ASP A 82 3.697 -6.783 -22.422 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.677 -7.560 -22.449 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.928 -6.538 -23.376 1.00 0.00 O ATOM 0 H ASP A 82 3.591 -5.672 -18.600 1.00 0.00 H new ATOM 0 HA ASP A 82 5.534 -6.027 -20.734 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.927 -6.769 -20.422 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.707 -5.260 -21.285 1.00 0.00 H new ATOM 1241 N SER A 83 4.968 -3.196 -19.733 1.00 0.00 N ATOM 1242 CA SER A 83 5.079 -1.759 -19.923 1.00 0.00 C ATOM 1243 C SER A 83 6.466 -1.280 -19.490 1.00 0.00 C ATOM 1244 O SER A 83 6.638 -0.118 -19.124 1.00 0.00 O ATOM 1245 CB SER A 83 3.993 -1.015 -19.144 1.00 0.00 C ATOM 1246 OG SER A 83 4.070 0.394 -19.336 1.00 0.00 O ATOM 0 H SER A 83 5.081 -3.509 -18.769 1.00 0.00 H new ATOM 0 HA SER A 83 4.941 -1.542 -20.982 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.012 -1.371 -19.459 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.088 -1.242 -18.082 1.00 0.00 H new ATOM 0 HG SER A 83 5.009 0.675 -19.323 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.523 11.059 -5.204 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.780 11.446 -6.389 1.00 0.00 C ATOM 1380 C PRO B 124 -4.398 10.789 -6.410 1.00 0.00 C ATOM 1381 O PRO B 124 -3.383 11.472 -6.538 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.714 12.964 -6.334 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.015 13.342 -4.893 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.592 12.118 -4.201 1.00 0.00 C ATOM 0 HA PRO B 124 -6.257 11.114 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.730 13.323 -6.635 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.438 13.411 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.108 13.674 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.722 14.171 -4.855 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.018 11.859 -3.311 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.619 12.292 -3.879 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.405 9.470 -6.282 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.165 8.713 -6.284 1.00 0.00 C ATOM 1394 C LEU B 125 -2.273 9.198 -5.139 1.00 0.00 C ATOM 1395 O LEU B 125 -2.389 10.340 -4.699 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.494 8.785 -7.657 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.055 7.845 -8.727 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.612 8.280 -10.125 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.677 6.392 -8.433 1.00 0.00 C ATOM 0 H LEU B 125 -5.249 8.907 -6.176 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.366 7.656 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.571 9.808 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.433 8.570 -7.533 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.143 7.907 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.024 7.596 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -2.972 9.290 -10.323 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.524 8.265 -10.183 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.088 5.745 -9.208 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.591 6.295 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.082 6.100 -7.464 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.381 8.281 -4.677 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.471 8.604 -3.591 1.00 0.00 C ATOM 1413 C PRO B 126 0.660 9.513 -4.076 1.00 0.00 C ATOM 1414 O PRO B 126 0.872 9.658 -5.279 1.00 0.00 O ATOM 1415 CB PRO B 126 0.024 7.261 -3.080 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.262 6.262 -4.190 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.216 6.919 -5.174 1.00 0.00 C ATOM 0 HA PRO B 126 -0.953 9.166 -2.791 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.089 7.298 -2.853 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.489 6.980 -2.160 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.662 5.972 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.702 5.353 -3.781 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.808 6.913 -6.185 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.170 6.393 -5.212 1.00 0.00 H new ATOM 1425 N PRO B 127 1.377 10.116 -3.090 1.00 0.00 N ATOM 1426 CA PRO B 127 2.481 11.007 -3.404 1.00 0.00 C ATOM 1427 C PRO B 127 3.710 10.217 -3.860 1.00 0.00 C ATOM 1428 O PRO B 127 4.298 9.471 -3.078 1.00 0.00 O ATOM 1429 CB PRO B 127 2.723 11.798 -2.129 1.00 0.00 C ATOM 1430 CG PRO B 127 2.062 11.004 -1.014 1.00 0.00 C ATOM 1431 CD PRO B 127 1.154 9.968 -1.655 1.00 0.00 C ATOM 0 HA PRO B 127 2.259 11.676 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.790 11.920 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.296 12.798 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.815 10.519 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.488 11.664 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.402 8.962 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.110 10.143 -1.397 1.00 0.00 H new ATOM 1439 N LEU B 128 4.061 10.408 -5.123 1.00 0.00 N ATOM 1440 CA LEU B 128 5.209 9.722 -5.692 1.00 0.00 C ATOM 1441 C LEU B 128 6.440 9.995 -4.827 1.00 0.00 C ATOM 1442 O LEU B 128 6.723 11.143 -4.488 1.00 0.00 O ATOM 1443 CB LEU B 128 5.390 10.111 -7.161 1.00 0.00 C ATOM 1444 CG LEU B 128 4.557 9.320 -8.171 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.955 9.673 -9.606 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.653 7.816 -7.905 1.00 0.00 C ATOM 0 H LEU B 128 3.571 11.028 -5.768 1.00 0.00 H new ATOM 0 HA LEU B 128 5.050 8.644 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.148 11.168 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.443 9.997 -7.420 1.00 0.00 H new ATOM 0 HG LEU B 128 3.512 9.603 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.348 9.097 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.793 10.737 -9.777 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.008 9.437 -9.760 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.051 7.278 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.692 7.498 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.284 7.599 -6.903 1.00 0.00 H new ATOM 1458 N PRO B 129 7.159 8.892 -4.486 1.00 0.00 N ATOM 1459 CA PRO B 129 8.355 9.001 -3.667 1.00 0.00 C ATOM 1460 C PRO B 129 9.526 9.556 -4.478 1.00 0.00 C ATOM 1461 O PRO B 129 9.327 10.154 -5.535 1.00 0.00 O ATOM 1462 CB PRO B 129 8.605 7.595 -3.147 1.00 0.00 C ATOM 1463 CG PRO B 129 7.820 6.667 -4.060 1.00 0.00 C ATOM 1464 CD PRO B 129 6.854 7.517 -4.869 1.00 0.00 C ATOM 0 HA PRO B 129 8.237 9.702 -2.840 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.668 7.355 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.275 7.497 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.494 6.121 -4.721 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.277 5.925 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO B 129 6.993 7.364 -5.939 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.818 7.263 -4.643 1.00 0.00 H new