USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 447 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 58 ASN : amide:sc= -0.0194 X(o=0.52,f=0.59) USER MOD Set 1.2: A 61 GLN : amide:sc= 0.543 K(o=0.52,f=-4.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.11 (180deg=-0.533) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -1.51! (180deg=-4.69!) USER MOD Single : A 42 ASN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0199 K(o=-0.02,f=-1.7!) USER MOD Single : A 51 MET CE :methyl -149:sc= -0.195 (180deg=-1.58!) USER MOD Single : A 52 MET CE :methyl -155:sc= -0.23 (180deg=-1.16) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= -0.0285 (180deg=-0.104) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 6.463 -6.551 12.350 1.00 61.12 N ATOM 330 CA LEU A 21 7.277 -5.611 11.544 1.00 65.20 C ATOM 331 C LEU A 21 8.293 -6.363 10.637 1.00 4.30 C ATOM 332 O LEU A 21 9.435 -6.640 11.037 1.00 61.11 O ATOM 333 CB LEU A 21 8.006 -4.589 12.466 1.00 3.54 C ATOM 334 CG LEU A 21 7.100 -3.696 13.378 1.00 34.23 C ATOM 335 CD1 LEU A 21 7.952 -2.733 14.239 1.00 63.03 C ATOM 336 CD2 LEU A 21 6.046 -2.916 12.553 1.00 63.33 C ATOM 0 HA LEU A 21 6.599 -5.064 10.889 1.00 65.20 H new ATOM 0 HB2 LEU A 21 8.696 -5.139 13.106 1.00 3.54 H new ATOM 0 HB3 LEU A 21 8.608 -3.933 11.838 1.00 3.54 H new ATOM 0 HG LEU A 21 6.560 -4.364 14.050 1.00 34.23 H new ATOM 0 HD11 LEU A 21 7.296 -2.125 14.862 1.00 63.03 H new ATOM 0 HD12 LEU A 21 8.624 -3.310 14.874 1.00 63.03 H new ATOM 0 HD13 LEU A 21 8.537 -2.084 13.588 1.00 63.03 H new ATOM 0 HD21 LEU A 21 5.437 -2.308 13.222 1.00 63.33 H new ATOM 0 HD22 LEU A 21 6.551 -2.270 11.835 1.00 63.33 H new ATOM 0 HD23 LEU A 21 5.407 -3.620 12.020 1.00 63.33 H new ATOM 348 N THR A 22 7.831 -6.736 9.431 1.00 63.40 N ATOM 349 CA THR A 22 8.663 -7.375 8.384 1.00 41.22 C ATOM 350 C THR A 22 9.429 -6.312 7.568 1.00 22.10 C ATOM 351 O THR A 22 9.228 -5.113 7.764 1.00 21.52 O ATOM 352 CB THR A 22 7.782 -8.232 7.404 1.00 4.11 C ATOM 353 OG1 THR A 22 6.897 -7.368 6.660 1.00 13.34 O ATOM 354 CG2 THR A 22 6.955 -9.300 8.153 1.00 13.32 C ATOM 0 H THR A 22 6.860 -6.603 9.148 1.00 63.40 H new ATOM 0 HA THR A 22 9.374 -8.028 8.890 1.00 41.22 H new ATOM 0 HB THR A 22 8.457 -8.751 6.724 1.00 4.11 H new ATOM 0 HG1 THR A 22 6.351 -7.906 6.049 1.00 13.34 H new ATOM 0 HG21 THR A 22 6.361 -9.869 7.437 1.00 13.32 H new ATOM 0 HG22 THR A 22 7.627 -9.974 8.684 1.00 13.32 H new ATOM 0 HG23 THR A 22 6.292 -8.812 8.867 1.00 13.32 H new ATOM 362 N ARG A 23 10.290 -6.764 6.633 1.00 71.23 N ATOM 363 CA ARG A 23 11.024 -5.860 5.704 1.00 33.43 C ATOM 364 C ARG A 23 10.064 -5.034 4.808 1.00 2.34 C ATOM 365 O ARG A 23 10.404 -3.927 4.363 1.00 42.23 O ATOM 366 CB ARG A 23 12.020 -6.678 4.836 1.00 31.01 C ATOM 367 CG ARG A 23 13.205 -7.289 5.621 1.00 22.45 C ATOM 368 CD ARG A 23 14.065 -6.215 6.324 1.00 1.14 C ATOM 369 NE ARG A 23 14.504 -5.172 5.377 1.00 3.05 N ATOM 370 CZ ARG A 23 14.823 -3.934 5.687 1.00 54.00 C ATOM 371 NH1 ARG A 23 14.883 -3.528 6.916 1.00 10.13 N ATOM 372 NH2 ARG A 23 15.105 -3.103 4.744 1.00 51.11 N ATOM 0 H ARG A 23 10.499 -7.753 6.496 1.00 71.23 H new ATOM 0 HA ARG A 23 11.582 -5.148 6.312 1.00 33.43 H new ATOM 0 HB2 ARG A 23 11.475 -7.482 4.341 1.00 31.01 H new ATOM 0 HB3 ARG A 23 12.415 -6.031 4.052 1.00 31.01 H new ATOM 0 HG2 ARG A 23 12.822 -7.988 6.365 1.00 22.45 H new ATOM 0 HG3 ARG A 23 13.832 -7.862 4.938 1.00 22.45 H new ATOM 0 HD2 ARG A 23 13.492 -5.758 7.131 1.00 1.14 H new ATOM 0 HD3 ARG A 23 14.937 -6.685 6.779 1.00 1.14 H new ATOM 0 HE ARG A 23 14.566 -5.435 4.393 1.00 3.05 H new ATOM 0 HH11 ARG A 23 14.680 -4.175 7.677 1.00 10.13 H new ATOM 0 HH12 ARG A 23 15.134 -2.561 7.122 1.00 10.13 H new ATOM 0 HH21 ARG A 23 15.079 -3.408 3.771 1.00 51.11 H new ATOM 0 HH22 ARG A 23 15.354 -2.140 4.970 1.00 51.11 H new ATOM 386 N ASP A 24 8.872 -5.592 4.561 1.00 11.12 N ATOM 387 CA ASP A 24 7.785 -4.908 3.846 1.00 45.13 C ATOM 388 C ASP A 24 7.137 -3.819 4.746 1.00 13.22 C ATOM 389 O ASP A 24 6.935 -2.681 4.307 1.00 31.43 O ATOM 390 CB ASP A 24 6.727 -5.947 3.397 1.00 3.02 C ATOM 391 CG ASP A 24 7.322 -7.102 2.568 1.00 44.35 C ATOM 392 OD1 ASP A 24 7.889 -8.044 3.163 1.00 1.24 O ATOM 393 OD2 ASP A 24 7.243 -7.066 1.317 1.00 43.31 O ATOM 0 H ASP A 24 8.632 -6.539 4.854 1.00 11.12 H new ATOM 0 HA ASP A 24 8.194 -4.414 2.965 1.00 45.13 H new ATOM 0 HB2 ASP A 24 6.234 -6.358 4.278 1.00 3.02 H new ATOM 0 HB3 ASP A 24 5.960 -5.444 2.808 1.00 3.02 H new ATOM 398 N GLU A 25 6.814 -4.177 6.007 1.00 4.13 N ATOM 399 CA GLU A 25 6.206 -3.233 6.986 1.00 34.31 C ATOM 400 C GLU A 25 7.140 -2.025 7.276 1.00 42.44 C ATOM 401 O GLU A 25 6.675 -0.901 7.486 1.00 1.52 O ATOM 402 CB GLU A 25 5.857 -3.975 8.308 1.00 24.35 C ATOM 403 CG GLU A 25 4.836 -5.139 8.182 1.00 41.44 C ATOM 404 CD GLU A 25 3.413 -4.738 7.730 1.00 43.52 C ATOM 405 OE1 GLU A 25 2.986 -3.587 7.973 1.00 44.45 O ATOM 406 OE2 GLU A 25 2.699 -5.593 7.154 1.00 2.44 O ATOM 0 H GLU A 25 6.963 -5.115 6.378 1.00 4.13 H new ATOM 0 HA GLU A 25 5.289 -2.844 6.543 1.00 34.31 H new ATOM 0 HB2 GLU A 25 6.779 -4.370 8.735 1.00 24.35 H new ATOM 0 HB3 GLU A 25 5.464 -3.247 9.018 1.00 24.35 H new ATOM 0 HG2 GLU A 25 5.230 -5.868 7.474 1.00 41.44 H new ATOM 0 HG3 GLU A 25 4.763 -5.640 9.148 1.00 41.44 H new ATOM 413 N LEU A 26 8.462 -2.274 7.247 1.00 12.22 N ATOM 414 CA LEU A 26 9.492 -1.233 7.471 1.00 43.20 C ATOM 415 C LEU A 26 9.586 -0.231 6.288 1.00 45.24 C ATOM 416 O LEU A 26 9.782 0.971 6.516 1.00 2.42 O ATOM 417 CB LEU A 26 10.869 -1.896 7.743 1.00 44.44 C ATOM 418 CG LEU A 26 10.957 -2.739 9.061 1.00 10.43 C ATOM 419 CD1 LEU A 26 12.306 -3.477 9.181 1.00 24.11 C ATOM 420 CD2 LEU A 26 10.684 -1.868 10.315 1.00 12.33 C ATOM 0 H LEU A 26 8.850 -3.200 7.068 1.00 12.22 H new ATOM 0 HA LEU A 26 9.192 -0.658 8.347 1.00 43.20 H new ATOM 0 HB2 LEU A 26 11.115 -2.542 6.901 1.00 44.44 H new ATOM 0 HB3 LEU A 26 11.629 -1.115 7.779 1.00 44.44 H new ATOM 0 HG LEU A 26 10.174 -3.496 9.006 1.00 10.43 H new ATOM 0 HD11 LEU A 26 12.326 -4.050 10.108 1.00 24.11 H new ATOM 0 HD12 LEU A 26 12.428 -4.153 8.335 1.00 24.11 H new ATOM 0 HD13 LEU A 26 13.119 -2.751 9.185 1.00 24.11 H new ATOM 0 HD21 LEU A 26 10.754 -2.487 11.210 1.00 12.33 H new ATOM 0 HD22 LEU A 26 11.421 -1.067 10.369 1.00 12.33 H new ATOM 0 HD23 LEU A 26 9.685 -1.437 10.248 1.00 12.33 H new ATOM 432 N ARG A 27 9.444 -0.721 5.027 1.00 32.35 N ATOM 433 CA ARG A 27 9.464 0.169 3.832 1.00 15.11 C ATOM 434 C ARG A 27 8.158 1.000 3.748 1.00 1.34 C ATOM 435 O ARG A 27 8.183 2.155 3.318 1.00 12.30 O ATOM 436 CB ARG A 27 9.734 -0.616 2.504 1.00 54.25 C ATOM 437 CG ARG A 27 8.571 -1.480 1.965 1.00 21.21 C ATOM 438 CD ARG A 27 8.944 -2.283 0.701 1.00 22.52 C ATOM 439 NE ARG A 27 10.014 -3.268 0.978 1.00 62.02 N ATOM 440 CZ ARG A 27 9.964 -4.553 0.710 1.00 43.25 C ATOM 441 NH1 ARG A 27 8.960 -5.075 0.076 1.00 21.33 N ATOM 442 NH2 ARG A 27 10.945 -5.311 1.062 1.00 55.24 N ATOM 0 H ARG A 27 9.316 -1.710 4.812 1.00 32.35 H new ATOM 0 HA ARG A 27 10.300 0.857 3.955 1.00 15.11 H new ATOM 0 HB2 ARG A 27 10.011 0.103 1.733 1.00 54.25 H new ATOM 0 HB3 ARG A 27 10.597 -1.264 2.660 1.00 54.25 H new ATOM 0 HG2 ARG A 27 8.249 -2.171 2.744 1.00 21.21 H new ATOM 0 HG3 ARG A 27 7.722 -0.835 1.740 1.00 21.21 H new ATOM 0 HD2 ARG A 27 8.062 -2.800 0.324 1.00 22.52 H new ATOM 0 HD3 ARG A 27 9.272 -1.599 -0.082 1.00 22.52 H new ATOM 0 HE ARG A 27 10.866 -2.918 1.416 1.00 62.02 H new ATOM 0 HH11 ARG A 27 8.185 -4.485 -0.227 1.00 21.33 H new ATOM 0 HH12 ARG A 27 8.945 -6.076 -0.120 1.00 21.33 H new ATOM 0 HH21 ARG A 27 11.750 -4.912 1.544 1.00 55.24 H new ATOM 0 HH22 ARG A 27 10.916 -6.310 0.859 1.00 55.24 H new ATOM 456 N ALA A 28 7.023 0.405 4.195 1.00 54.11 N ATOM 457 CA ALA A 28 5.719 1.106 4.295 1.00 32.54 C ATOM 458 C ALA A 28 5.803 2.283 5.293 1.00 21.44 C ATOM 459 O ALA A 28 5.414 3.416 4.988 1.00 11.10 O ATOM 460 CB ALA A 28 4.610 0.119 4.695 1.00 1.02 C ATOM 0 H ALA A 28 6.987 -0.569 4.495 1.00 54.11 H new ATOM 0 HA ALA A 28 5.472 1.518 3.316 1.00 32.54 H new ATOM 0 HB1 ALA A 28 3.660 0.648 4.764 1.00 1.02 H new ATOM 0 HB2 ALA A 28 4.534 -0.667 3.943 1.00 1.02 H new ATOM 0 HB3 ALA A 28 4.849 -0.325 5.661 1.00 1.02 H new ATOM 466 N LYS A 29 6.357 1.982 6.473 1.00 21.44 N ATOM 467 CA LYS A 29 6.637 2.963 7.541 1.00 34.23 C ATOM 468 C LYS A 29 7.612 4.088 7.066 1.00 2.11 C ATOM 469 O LYS A 29 7.491 5.243 7.496 1.00 54.44 O ATOM 470 CB LYS A 29 7.208 2.183 8.759 1.00 0.41 C ATOM 471 CG LYS A 29 7.704 3.043 9.938 1.00 61.31 C ATOM 472 CD LYS A 29 8.313 2.190 11.080 1.00 1.51 C ATOM 473 CE LYS A 29 9.104 3.037 12.085 1.00 24.10 C ATOM 474 NZ LYS A 29 10.242 3.739 11.431 1.00 71.32 N ATOM 0 H LYS A 29 6.631 1.032 6.722 1.00 21.44 H new ATOM 0 HA LYS A 29 5.716 3.475 7.821 1.00 34.23 H new ATOM 0 HB2 LYS A 29 6.436 1.507 9.127 1.00 0.41 H new ATOM 0 HB3 LYS A 29 8.035 1.563 8.413 1.00 0.41 H new ATOM 0 HG2 LYS A 29 8.452 3.750 9.579 1.00 61.31 H new ATOM 0 HG3 LYS A 29 6.873 3.630 10.330 1.00 61.31 H new ATOM 0 HD2 LYS A 29 7.514 1.664 11.602 1.00 1.51 H new ATOM 0 HD3 LYS A 29 8.969 1.431 10.653 1.00 1.51 H new ATOM 0 HE2 LYS A 29 8.441 3.769 12.547 1.00 24.10 H new ATOM 0 HE3 LYS A 29 9.480 2.398 12.884 1.00 24.10 H new ATOM 0 HZ1 LYS A 29 10.939 4.016 12.151 1.00 71.32 H new ATOM 0 HZ2 LYS A 29 10.691 3.104 10.741 1.00 71.32 H new ATOM 0 HZ3 LYS A 29 9.892 4.588 10.943 1.00 71.32 H new ATOM 488 N ALA A 30 8.543 3.743 6.147 1.00 54.20 N ATOM 489 CA ALA A 30 9.556 4.689 5.608 1.00 44.01 C ATOM 490 C ALA A 30 8.916 5.831 4.774 1.00 52.22 C ATOM 491 O ALA A 30 9.328 6.995 4.876 1.00 51.31 O ATOM 492 CB ALA A 30 10.592 3.923 4.765 1.00 25.50 C ATOM 0 H ALA A 30 8.616 2.803 5.757 1.00 54.20 H new ATOM 0 HA ALA A 30 10.051 5.157 6.459 1.00 44.01 H new ATOM 0 HB1 ALA A 30 11.331 4.622 4.373 1.00 25.50 H new ATOM 0 HB2 ALA A 30 11.090 3.180 5.388 1.00 25.50 H new ATOM 0 HB3 ALA A 30 10.090 3.424 3.936 1.00 25.50 H new ATOM 498 N LEU A 31 7.914 5.482 3.940 1.00 24.44 N ATOM 499 CA LEU A 31 7.136 6.477 3.144 1.00 14.12 C ATOM 500 C LEU A 31 5.792 6.846 3.818 1.00 42.33 C ATOM 501 O LEU A 31 4.972 7.541 3.215 1.00 2.44 O ATOM 502 CB LEU A 31 6.929 5.958 1.694 1.00 72.15 C ATOM 503 CG LEU A 31 8.209 5.983 0.796 1.00 12.15 C ATOM 504 CD1 LEU A 31 7.957 5.317 -0.562 1.00 52.12 C ATOM 505 CD2 LEU A 31 8.729 7.427 0.602 1.00 43.34 C ATOM 0 H LEU A 31 7.618 4.517 3.794 1.00 24.44 H new ATOM 0 HA LEU A 31 7.717 7.398 3.101 1.00 14.12 H new ATOM 0 HB2 LEU A 31 6.555 4.935 1.740 1.00 72.15 H new ATOM 0 HB3 LEU A 31 6.156 6.559 1.216 1.00 72.15 H new ATOM 0 HG LEU A 31 8.977 5.409 1.315 1.00 12.15 H new ATOM 0 HD11 LEU A 31 8.868 5.353 -1.159 1.00 52.12 H new ATOM 0 HD12 LEU A 31 7.664 4.278 -0.409 1.00 52.12 H new ATOM 0 HD13 LEU A 31 7.160 5.846 -1.084 1.00 52.12 H new ATOM 0 HD21 LEU A 31 9.619 7.412 -0.027 1.00 43.34 H new ATOM 0 HD22 LEU A 31 7.957 8.030 0.124 1.00 43.34 H new ATOM 0 HD23 LEU A 31 8.977 7.858 1.572 1.00 43.34 H new ATOM 517 N HIS A 32 5.600 6.400 5.082 1.00 12.02 N ATOM 518 CA HIS A 32 4.489 6.850 5.963 1.00 10.42 C ATOM 519 C HIS A 32 3.087 6.463 5.409 1.00 61.21 C ATOM 520 O HIS A 32 2.174 7.299 5.353 1.00 54.30 O ATOM 521 CB HIS A 32 4.592 8.388 6.227 1.00 34.13 C ATOM 522 CG HIS A 32 5.885 8.836 6.869 1.00 51.23 C ATOM 523 ND1 HIS A 32 5.995 9.156 8.203 1.00 21.12 N ATOM 524 CD2 HIS A 32 7.123 9.037 6.344 1.00 14.33 C ATOM 525 CE1 HIS A 32 7.230 9.527 8.466 1.00 53.14 C ATOM 526 NE2 HIS A 32 7.931 9.461 7.358 1.00 12.24 N ATOM 0 H HIS A 32 6.213 5.715 5.524 1.00 12.02 H new ATOM 0 HA HIS A 32 4.596 6.324 6.912 1.00 10.42 H new ATOM 0 HB2 HIS A 32 4.472 8.914 5.280 1.00 34.13 H new ATOM 0 HB3 HIS A 32 3.762 8.689 6.866 1.00 34.13 H new ATOM 0 HD2 HIS A 32 7.413 8.888 5.314 1.00 14.33 H new ATOM 0 HE1 HIS A 32 7.604 9.834 9.431 1.00 53.14 H new ATOM 0 HE2 HIS A 32 8.921 9.690 7.270 1.00 12.24 H new ATOM 535 N ILE A 33 2.928 5.179 5.029 1.00 43.25 N ATOM 536 CA ILE A 33 1.638 4.630 4.539 1.00 32.43 C ATOM 537 C ILE A 33 0.615 4.528 5.717 1.00 23.43 C ATOM 538 O ILE A 33 0.921 3.900 6.737 1.00 72.34 O ATOM 539 CB ILE A 33 1.819 3.210 3.863 1.00 40.13 C ATOM 540 CG1 ILE A 33 2.950 3.233 2.779 1.00 32.31 C ATOM 541 CG2 ILE A 33 0.487 2.688 3.254 1.00 71.13 C ATOM 542 CD1 ILE A 33 2.763 4.245 1.664 1.00 64.01 C ATOM 0 H ILE A 33 3.683 4.493 5.051 1.00 43.25 H new ATOM 0 HA ILE A 33 1.258 5.315 3.781 1.00 32.43 H new ATOM 0 HB ILE A 33 2.118 2.519 4.651 1.00 40.13 H new ATOM 0 HG12 ILE A 33 3.900 3.435 3.274 1.00 32.31 H new ATOM 0 HG13 ILE A 33 3.026 2.240 2.336 1.00 32.31 H new ATOM 0 HG21 ILE A 33 0.653 1.711 2.800 1.00 71.13 H new ATOM 0 HG22 ILE A 33 -0.263 2.600 4.040 1.00 71.13 H new ATOM 0 HG23 ILE A 33 0.136 3.387 2.495 1.00 71.13 H new ATOM 0 HD11 ILE A 33 3.600 4.179 0.968 1.00 64.01 H new ATOM 0 HD12 ILE A 33 1.833 4.036 1.135 1.00 64.01 H new ATOM 0 HD13 ILE A 33 2.721 5.249 2.087 1.00 64.01 H new ATOM 554 N PRO A 34 -0.600 5.175 5.611 1.00 44.34 N ATOM 555 CA PRO A 34 -1.664 5.123 6.673 1.00 42.21 C ATOM 556 C PRO A 34 -2.208 3.701 7.004 1.00 4.44 C ATOM 557 O PRO A 34 -2.966 3.545 7.965 1.00 60.42 O ATOM 558 CB PRO A 34 -2.793 6.029 6.093 1.00 60.22 C ATOM 559 CG PRO A 34 -2.087 6.928 5.120 1.00 12.32 C ATOM 560 CD PRO A 34 -1.014 6.066 4.494 1.00 3.32 C ATOM 0 HA PRO A 34 -1.259 5.452 7.630 1.00 42.21 H new ATOM 0 HB2 PRO A 34 -3.564 5.437 5.600 1.00 60.22 H new ATOM 0 HB3 PRO A 34 -3.285 6.602 6.878 1.00 60.22 H new ATOM 0 HG2 PRO A 34 -2.775 7.310 4.366 1.00 12.32 H new ATOM 0 HG3 PRO A 34 -1.654 7.792 5.624 1.00 12.32 H new ATOM 0 HD2 PRO A 34 -1.397 5.498 3.646 1.00 3.32 H new ATOM 0 HD3 PRO A 34 -0.181 6.664 4.126 1.00 3.32 H new ATOM 568 N PHE A 35 -1.835 2.686 6.195 1.00 71.54 N ATOM 569 CA PHE A 35 -2.230 1.266 6.405 1.00 1.11 C ATOM 570 C PHE A 35 -0.979 0.333 6.485 1.00 54.45 C ATOM 571 O PHE A 35 0.078 0.672 5.947 1.00 35.51 O ATOM 572 CB PHE A 35 -3.129 0.774 5.239 1.00 5.25 C ATOM 573 CG PHE A 35 -4.407 1.576 4.993 1.00 1.21 C ATOM 574 CD1 PHE A 35 -5.449 1.576 5.922 1.00 61.20 C ATOM 575 CD2 PHE A 35 -4.562 2.334 3.831 1.00 65.01 C ATOM 576 CE1 PHE A 35 -6.611 2.294 5.688 1.00 71.50 C ATOM 577 CE2 PHE A 35 -5.718 3.049 3.599 1.00 33.30 C ATOM 578 CZ PHE A 35 -6.742 3.037 4.530 1.00 42.11 C ATOM 0 H PHE A 35 -1.248 2.824 5.372 1.00 71.54 H new ATOM 0 HA PHE A 35 -2.776 1.221 7.348 1.00 1.11 H new ATOM 0 HB2 PHE A 35 -2.538 0.780 4.323 1.00 5.25 H new ATOM 0 HB3 PHE A 35 -3.406 -0.262 5.432 1.00 5.25 H new ATOM 0 HD1 PHE A 35 -5.348 1.009 6.835 1.00 61.20 H new ATOM 0 HD2 PHE A 35 -3.765 2.361 3.103 1.00 65.01 H new ATOM 0 HE1 PHE A 35 -7.414 2.273 6.410 1.00 71.50 H new ATOM 0 HE2 PHE A 35 -5.825 3.620 2.688 1.00 33.30 H new ATOM 0 HZ PHE A 35 -7.642 3.607 4.352 1.00 42.11 H new ATOM 588 N PRO A 36 -1.080 -0.866 7.160 1.00 4.03 N ATOM 589 CA PRO A 36 -0.035 -1.935 7.074 1.00 14.52 C ATOM 590 C PRO A 36 0.062 -2.584 5.658 1.00 24.31 C ATOM 591 O PRO A 36 -0.877 -2.497 4.858 1.00 33.44 O ATOM 592 CB PRO A 36 -0.498 -2.992 8.128 1.00 43.40 C ATOM 593 CG PRO A 36 -1.499 -2.274 8.994 1.00 23.03 C ATOM 594 CD PRO A 36 -2.164 -1.250 8.098 1.00 51.33 C ATOM 0 HA PRO A 36 0.960 -1.531 7.261 1.00 14.52 H new ATOM 0 HB2 PRO A 36 -0.947 -3.860 7.644 1.00 43.40 H new ATOM 0 HB3 PRO A 36 0.344 -3.355 8.717 1.00 43.40 H new ATOM 0 HG2 PRO A 36 -2.232 -2.970 9.403 1.00 23.03 H new ATOM 0 HG3 PRO A 36 -1.009 -1.793 9.841 1.00 23.03 H new ATOM 0 HD2 PRO A 36 -3.021 -1.671 7.572 1.00 51.33 H new ATOM 0 HD3 PRO A 36 -2.527 -0.394 8.666 1.00 51.33 H new ATOM 602 N VAL A 37 1.192 -3.265 5.378 1.00 15.23 N ATOM 603 CA VAL A 37 1.393 -4.045 4.116 1.00 43.44 C ATOM 604 C VAL A 37 0.407 -5.229 4.035 1.00 23.51 C ATOM 605 O VAL A 37 -0.183 -5.490 2.978 1.00 0.44 O ATOM 606 CB VAL A 37 2.883 -4.550 4.010 1.00 13.21 C ATOM 607 CG1 VAL A 37 3.096 -5.653 2.942 1.00 62.12 C ATOM 608 CG2 VAL A 37 3.818 -3.358 3.763 1.00 5.10 C ATOM 0 H VAL A 37 1.993 -3.297 6.009 1.00 15.23 H new ATOM 0 HA VAL A 37 1.193 -3.384 3.273 1.00 43.44 H new ATOM 0 HB VAL A 37 3.125 -5.019 4.964 1.00 13.21 H new ATOM 0 HG11 VAL A 37 4.145 -5.949 2.929 1.00 62.12 H new ATOM 0 HG12 VAL A 37 2.478 -6.518 3.184 1.00 62.12 H new ATOM 0 HG13 VAL A 37 2.815 -5.269 1.961 1.00 62.12 H new ATOM 0 HG21 VAL A 37 4.847 -3.711 3.690 1.00 5.10 H new ATOM 0 HG22 VAL A 37 3.538 -2.863 2.833 1.00 5.10 H new ATOM 0 HG23 VAL A 37 3.734 -2.652 4.590 1.00 5.10 H new ATOM 618 N GLU A 38 0.241 -5.919 5.178 1.00 20.22 N ATOM 619 CA GLU A 38 -0.779 -6.976 5.384 1.00 60.10 C ATOM 620 C GLU A 38 -2.188 -6.534 4.890 1.00 53.10 C ATOM 621 O GLU A 38 -2.941 -7.327 4.321 1.00 13.21 O ATOM 622 CB GLU A 38 -0.807 -7.332 6.904 1.00 4.50 C ATOM 623 CG GLU A 38 -1.886 -8.349 7.363 1.00 73.13 C ATOM 624 CD GLU A 38 -1.807 -9.730 6.676 1.00 70.40 C ATOM 625 OE1 GLU A 38 -0.762 -10.405 6.796 1.00 2.04 O ATOM 626 OE2 GLU A 38 -2.793 -10.152 6.029 1.00 12.22 O ATOM 0 H GLU A 38 0.820 -5.758 6.002 1.00 20.22 H new ATOM 0 HA GLU A 38 -0.511 -7.852 4.794 1.00 60.10 H new ATOM 0 HB2 GLU A 38 0.171 -7.727 7.179 1.00 4.50 H new ATOM 0 HB3 GLU A 38 -0.948 -6.409 7.467 1.00 4.50 H new ATOM 0 HG2 GLU A 38 -1.798 -8.489 8.440 1.00 73.13 H new ATOM 0 HG3 GLU A 38 -2.871 -7.922 7.176 1.00 73.13 H new ATOM 633 N LYS A 39 -2.514 -5.242 5.096 1.00 51.30 N ATOM 634 CA LYS A 39 -3.804 -4.654 4.679 1.00 21.42 C ATOM 635 C LYS A 39 -3.949 -4.582 3.132 1.00 71.55 C ATOM 636 O LYS A 39 -4.904 -5.142 2.581 1.00 24.33 O ATOM 637 CB LYS A 39 -3.980 -3.254 5.337 1.00 42.24 C ATOM 638 CG LYS A 39 -5.304 -2.483 5.042 1.00 45.13 C ATOM 639 CD LYS A 39 -6.572 -2.949 5.842 1.00 51.55 C ATOM 640 CE LYS A 39 -7.259 -4.244 5.311 1.00 11.24 C ATOM 641 NZ LYS A 39 -6.724 -5.496 5.925 1.00 52.33 N ATOM 0 H LYS A 39 -1.892 -4.577 5.555 1.00 51.30 H new ATOM 0 HA LYS A 39 -4.602 -5.310 5.026 1.00 21.42 H new ATOM 0 HB2 LYS A 39 -3.895 -3.376 6.417 1.00 42.24 H new ATOM 0 HB3 LYS A 39 -3.147 -2.626 5.021 1.00 42.24 H new ATOM 0 HG2 LYS A 39 -5.138 -1.426 5.249 1.00 45.13 H new ATOM 0 HG3 LYS A 39 -5.520 -2.569 3.977 1.00 45.13 H new ATOM 0 HD2 LYS A 39 -6.286 -3.110 6.881 1.00 51.55 H new ATOM 0 HD3 LYS A 39 -7.303 -2.141 5.834 1.00 51.55 H new ATOM 0 HE2 LYS A 39 -8.330 -4.183 5.504 1.00 11.24 H new ATOM 0 HE3 LYS A 39 -7.132 -4.296 4.230 1.00 11.24 H new ATOM 0 HZ1 LYS A 39 -6.393 -6.136 5.175 1.00 52.33 H new ATOM 0 HZ2 LYS A 39 -5.931 -5.262 6.556 1.00 52.33 H new ATOM 0 HZ3 LYS A 39 -7.475 -5.963 6.472 1.00 52.33 H new ATOM 655 N ILE A 40 -2.979 -3.934 2.440 1.00 72.22 N ATOM 656 CA ILE A 40 -3.034 -3.721 0.957 1.00 21.32 C ATOM 657 C ILE A 40 -3.006 -5.072 0.179 1.00 24.23 C ATOM 658 O ILE A 40 -3.698 -5.218 -0.833 1.00 44.11 O ATOM 659 CB ILE A 40 -1.875 -2.756 0.432 1.00 31.32 C ATOM 660 CG1 ILE A 40 -2.116 -1.259 0.844 1.00 1.43 C ATOM 661 CG2 ILE A 40 -1.678 -2.838 -1.111 1.00 33.10 C ATOM 662 CD1 ILE A 40 -1.942 -0.937 2.313 1.00 44.53 C ATOM 0 H ILE A 40 -2.144 -3.546 2.879 1.00 72.22 H new ATOM 0 HA ILE A 40 -3.986 -3.228 0.760 1.00 21.32 H new ATOM 0 HB ILE A 40 -0.966 -3.113 0.915 1.00 31.32 H new ATOM 0 HG12 ILE A 40 -1.433 -0.631 0.272 1.00 1.43 H new ATOM 0 HG13 ILE A 40 -3.128 -0.980 0.549 1.00 1.43 H new ATOM 0 HG21 ILE A 40 -0.878 -2.162 -1.412 1.00 33.10 H new ATOM 0 HG22 ILE A 40 -1.415 -3.858 -1.391 1.00 33.10 H new ATOM 0 HG23 ILE A 40 -2.603 -2.552 -1.612 1.00 33.10 H new ATOM 0 HD11 ILE A 40 -2.133 0.123 2.478 1.00 44.53 H new ATOM 0 HD12 ILE A 40 -2.644 -1.528 2.901 1.00 44.53 H new ATOM 0 HD13 ILE A 40 -0.923 -1.174 2.619 1.00 44.53 H new ATOM 674 N ILE A 41 -2.212 -6.051 0.673 1.00 0.25 N ATOM 675 CA ILE A 41 -2.095 -7.398 0.047 1.00 1.00 C ATOM 676 C ILE A 41 -3.468 -8.134 -0.034 1.00 54.42 C ATOM 677 O ILE A 41 -3.782 -8.788 -1.045 1.00 45.41 O ATOM 678 CB ILE A 41 -1.025 -8.285 0.807 1.00 31.23 C ATOM 679 CG1 ILE A 41 0.410 -7.704 0.589 1.00 14.40 C ATOM 680 CG2 ILE A 41 -1.088 -9.786 0.388 1.00 41.54 C ATOM 681 CD1 ILE A 41 1.530 -8.494 1.248 1.00 75.21 C ATOM 0 H ILE A 41 -1.638 -5.936 1.508 1.00 0.25 H new ATOM 0 HA ILE A 41 -1.753 -7.244 -0.976 1.00 1.00 H new ATOM 0 HB ILE A 41 -1.267 -8.248 1.869 1.00 31.23 H new ATOM 0 HG12 ILE A 41 0.605 -7.650 -0.482 1.00 14.40 H new ATOM 0 HG13 ILE A 41 0.434 -6.683 0.969 1.00 14.40 H new ATOM 0 HG21 ILE A 41 -0.334 -10.349 0.938 1.00 41.54 H new ATOM 0 HG22 ILE A 41 -2.077 -10.186 0.614 1.00 41.54 H new ATOM 0 HG23 ILE A 41 -0.897 -9.873 -0.682 1.00 41.54 H new ATOM 0 HD11 ILE A 41 2.486 -8.013 1.040 1.00 75.21 H new ATOM 0 HD12 ILE A 41 1.367 -8.527 2.325 1.00 75.21 H new ATOM 0 HD13 ILE A 41 1.541 -9.509 0.852 1.00 75.21 H new ATOM 693 N ASN A 42 -4.281 -8.007 1.024 1.00 15.25 N ATOM 694 CA ASN A 42 -5.613 -8.663 1.099 1.00 12.44 C ATOM 695 C ASN A 42 -6.749 -7.759 0.549 1.00 14.40 C ATOM 696 O ASN A 42 -7.908 -8.185 0.477 1.00 3.13 O ATOM 697 CB ASN A 42 -5.876 -9.110 2.555 1.00 52.33 C ATOM 698 CG ASN A 42 -4.929 -10.239 2.983 1.00 65.50 C ATOM 699 OD1 ASN A 42 -5.271 -11.417 2.931 1.00 21.33 O ATOM 700 ND2 ASN A 42 -3.710 -9.899 3.342 1.00 23.31 N ATOM 0 H ASN A 42 -4.046 -7.455 1.849 1.00 15.25 H new ATOM 0 HA ASN A 42 -5.606 -9.543 0.455 1.00 12.44 H new ATOM 0 HB2 ASN A 42 -5.753 -8.259 3.225 1.00 52.33 H new ATOM 0 HB3 ASN A 42 -6.909 -9.445 2.652 1.00 52.33 H new ATOM 0 HD21 ASN A 42 -3.030 -10.620 3.583 1.00 23.31 H new ATOM 0 HD22 ASN A 42 -3.445 -8.915 3.379 1.00 23.31 H new ATOM 707 N LEU A 43 -6.405 -6.509 0.174 1.00 11.14 N ATOM 708 CA LEU A 43 -7.303 -5.609 -0.587 1.00 1.13 C ATOM 709 C LEU A 43 -7.147 -5.850 -2.120 1.00 73.51 C ATOM 710 O LEU A 43 -6.079 -5.569 -2.682 1.00 20.22 O ATOM 711 CB LEU A 43 -7.004 -4.117 -0.237 1.00 61.41 C ATOM 712 CG LEU A 43 -7.424 -3.647 1.196 1.00 33.03 C ATOM 713 CD1 LEU A 43 -6.965 -2.197 1.475 1.00 33.21 C ATOM 714 CD2 LEU A 43 -8.949 -3.795 1.410 1.00 70.10 C ATOM 0 H LEU A 43 -5.498 -6.094 0.389 1.00 11.14 H new ATOM 0 HA LEU A 43 -8.332 -5.831 -0.306 1.00 1.13 H new ATOM 0 HB2 LEU A 43 -5.934 -3.945 -0.354 1.00 61.41 H new ATOM 0 HB3 LEU A 43 -7.510 -3.485 -0.967 1.00 61.41 H new ATOM 0 HG LEU A 43 -6.920 -4.297 1.911 1.00 33.03 H new ATOM 0 HD11 LEU A 43 -7.274 -1.904 2.479 1.00 33.21 H new ATOM 0 HD12 LEU A 43 -5.879 -2.138 1.398 1.00 33.21 H new ATOM 0 HD13 LEU A 43 -7.418 -1.525 0.746 1.00 33.21 H new ATOM 0 HD21 LEU A 43 -9.210 -3.461 2.414 1.00 70.10 H new ATOM 0 HD22 LEU A 43 -9.480 -3.188 0.676 1.00 70.10 H new ATOM 0 HD23 LEU A 43 -9.233 -4.840 1.290 1.00 70.10 H new ATOM 726 N PRO A 44 -8.194 -6.398 -2.827 1.00 74.14 N ATOM 727 CA PRO A 44 -8.163 -6.568 -4.309 1.00 54.54 C ATOM 728 C PRO A 44 -8.161 -5.200 -5.048 1.00 64.11 C ATOM 729 O PRO A 44 -8.652 -4.215 -4.499 1.00 60.13 O ATOM 730 CB PRO A 44 -9.450 -7.400 -4.609 1.00 22.32 C ATOM 731 CG PRO A 44 -9.900 -7.929 -3.274 1.00 63.02 C ATOM 732 CD PRO A 44 -9.469 -6.894 -2.262 1.00 60.15 C ATOM 0 HA PRO A 44 -7.257 -7.063 -4.659 1.00 54.54 H new ATOM 0 HB2 PRO A 44 -10.221 -6.781 -5.067 1.00 22.32 H new ATOM 0 HB3 PRO A 44 -9.240 -8.213 -5.304 1.00 22.32 H new ATOM 0 HG2 PRO A 44 -10.980 -8.072 -3.253 1.00 63.02 H new ATOM 0 HG3 PRO A 44 -9.446 -8.897 -3.063 1.00 63.02 H new ATOM 0 HD2 PRO A 44 -10.205 -6.096 -2.160 1.00 60.15 H new ATOM 0 HD3 PRO A 44 -9.331 -7.328 -1.272 1.00 60.15 H new ATOM 740 N VAL A 45 -7.624 -5.162 -6.297 1.00 32.44 N ATOM 741 CA VAL A 45 -7.363 -3.890 -7.055 1.00 45.00 C ATOM 742 C VAL A 45 -8.607 -2.973 -7.149 1.00 21.22 C ATOM 743 O VAL A 45 -8.524 -1.783 -6.859 1.00 40.15 O ATOM 744 CB VAL A 45 -6.813 -4.178 -8.510 1.00 42.43 C ATOM 745 CG1 VAL A 45 -6.581 -2.876 -9.328 1.00 53.12 C ATOM 746 CG2 VAL A 45 -5.516 -5.012 -8.445 1.00 31.43 C ATOM 0 H VAL A 45 -7.358 -6.002 -6.811 1.00 32.44 H new ATOM 0 HA VAL A 45 -6.602 -3.363 -6.479 1.00 45.00 H new ATOM 0 HB VAL A 45 -7.580 -4.751 -9.031 1.00 42.43 H new ATOM 0 HG11 VAL A 45 -6.204 -3.131 -10.318 1.00 53.12 H new ATOM 0 HG12 VAL A 45 -7.522 -2.336 -9.427 1.00 53.12 H new ATOM 0 HG13 VAL A 45 -5.854 -2.248 -8.813 1.00 53.12 H new ATOM 0 HG21 VAL A 45 -5.153 -5.200 -9.456 1.00 31.43 H new ATOM 0 HG22 VAL A 45 -4.759 -4.464 -7.884 1.00 31.43 H new ATOM 0 HG23 VAL A 45 -5.719 -5.962 -7.950 1.00 31.43 H new ATOM 756 N VAL A 46 -9.754 -3.552 -7.527 1.00 15.13 N ATOM 757 CA VAL A 46 -11.022 -2.801 -7.692 1.00 44.33 C ATOM 758 C VAL A 46 -11.491 -2.147 -6.356 1.00 44.13 C ATOM 759 O VAL A 46 -11.962 -1.001 -6.339 1.00 0.24 O ATOM 760 CB VAL A 46 -12.132 -3.752 -8.282 1.00 4.01 C ATOM 761 CG1 VAL A 46 -13.509 -3.063 -8.387 1.00 1.34 C ATOM 762 CG2 VAL A 46 -11.693 -4.302 -9.665 1.00 55.14 C ATOM 0 H VAL A 46 -9.838 -4.549 -7.728 1.00 15.13 H new ATOM 0 HA VAL A 46 -10.845 -1.985 -8.393 1.00 44.33 H new ATOM 0 HB VAL A 46 -12.245 -4.582 -7.584 1.00 4.01 H new ATOM 0 HG11 VAL A 46 -14.236 -3.763 -8.799 1.00 1.34 H new ATOM 0 HG12 VAL A 46 -13.833 -2.745 -7.396 1.00 1.34 H new ATOM 0 HG13 VAL A 46 -13.432 -2.194 -9.040 1.00 1.34 H new ATOM 0 HG21 VAL A 46 -12.470 -4.957 -10.059 1.00 55.14 H new ATOM 0 HG22 VAL A 46 -11.535 -3.472 -10.353 1.00 55.14 H new ATOM 0 HG23 VAL A 46 -10.766 -4.864 -9.555 1.00 55.14 H new ATOM 772 N ASP A 47 -11.322 -2.880 -5.244 1.00 13.55 N ATOM 773 CA ASP A 47 -11.686 -2.405 -3.887 1.00 60.41 C ATOM 774 C ASP A 47 -10.666 -1.382 -3.334 1.00 72.15 C ATOM 775 O ASP A 47 -11.045 -0.423 -2.648 1.00 14.31 O ATOM 776 CB ASP A 47 -11.795 -3.611 -2.930 1.00 42.13 C ATOM 777 CG ASP A 47 -12.868 -4.601 -3.387 1.00 61.23 C ATOM 778 OD1 ASP A 47 -12.560 -5.485 -4.214 1.00 51.35 O ATOM 779 OD2 ASP A 47 -14.033 -4.480 -2.953 1.00 4.54 O ATOM 0 H ASP A 47 -10.929 -3.821 -5.254 1.00 13.55 H new ATOM 0 HA ASP A 47 -12.648 -1.897 -3.959 1.00 60.41 H new ATOM 0 HB2 ASP A 47 -10.832 -4.119 -2.873 1.00 42.13 H new ATOM 0 HB3 ASP A 47 -12.029 -3.258 -1.926 1.00 42.13 H new ATOM 784 N PHE A 48 -9.372 -1.597 -3.631 1.00 13.32 N ATOM 785 CA PHE A 48 -8.302 -0.720 -3.133 1.00 23.33 C ATOM 786 C PHE A 48 -8.316 0.638 -3.865 1.00 23.53 C ATOM 787 O PHE A 48 -8.139 1.669 -3.237 1.00 30.35 O ATOM 788 CB PHE A 48 -6.892 -1.368 -3.237 1.00 5.44 C ATOM 789 CG PHE A 48 -5.810 -0.425 -2.698 1.00 40.41 C ATOM 790 CD1 PHE A 48 -5.750 -0.145 -1.330 1.00 4.31 C ATOM 791 CD2 PHE A 48 -4.943 0.259 -3.551 1.00 14.22 C ATOM 792 CE1 PHE A 48 -4.844 0.765 -0.827 1.00 31.01 C ATOM 793 CE2 PHE A 48 -4.048 1.183 -3.048 1.00 74.34 C ATOM 794 CZ PHE A 48 -4.001 1.436 -1.686 1.00 31.12 C ATOM 0 H PHE A 48 -9.044 -2.369 -4.212 1.00 13.32 H new ATOM 0 HA PHE A 48 -8.506 -0.560 -2.074 1.00 23.33 H new ATOM 0 HB2 PHE A 48 -6.876 -2.303 -2.677 1.00 5.44 H new ATOM 0 HB3 PHE A 48 -6.678 -1.616 -4.277 1.00 5.44 H new ATOM 0 HD1 PHE A 48 -6.425 -0.650 -0.655 1.00 4.31 H new ATOM 0 HD2 PHE A 48 -4.972 0.064 -4.613 1.00 14.22 H new ATOM 0 HE1 PHE A 48 -4.795 0.951 0.236 1.00 31.01 H new ATOM 0 HE2 PHE A 48 -3.384 1.709 -3.717 1.00 74.34 H new ATOM 0 HZ PHE A 48 -3.302 2.161 -1.297 1.00 31.12 H new ATOM 804 N ASN A 49 -8.511 0.617 -5.194 1.00 43.44 N ATOM 805 CA ASN A 49 -8.578 1.846 -6.027 1.00 42.23 C ATOM 806 C ASN A 49 -9.808 2.709 -5.662 1.00 15.12 C ATOM 807 O ASN A 49 -9.784 3.930 -5.831 1.00 71.53 O ATOM 808 CB ASN A 49 -8.575 1.486 -7.539 1.00 53.43 C ATOM 809 CG ASN A 49 -7.239 0.895 -8.018 1.00 32.12 C ATOM 810 OD1 ASN A 49 -6.494 0.279 -7.260 1.00 2.22 O ATOM 811 ND2 ASN A 49 -6.928 1.064 -9.285 1.00 32.12 N ATOM 0 H ASN A 49 -8.627 -0.245 -5.727 1.00 43.44 H new ATOM 0 HA ASN A 49 -7.689 2.441 -5.818 1.00 42.23 H new ATOM 0 HB2 ASN A 49 -9.373 0.771 -7.737 1.00 53.43 H new ATOM 0 HB3 ASN A 49 -8.798 2.381 -8.120 1.00 53.43 H new ATOM 0 HD21 ASN A 49 -6.057 0.681 -9.652 1.00 32.12 H new ATOM 0 HD22 ASN A 49 -7.558 1.578 -9.901 1.00 32.12 H new ATOM 818 N GLU A 50 -10.880 2.048 -5.173 1.00 62.15 N ATOM 819 CA GLU A 50 -12.059 2.726 -4.578 1.00 20.35 C ATOM 820 C GLU A 50 -11.625 3.492 -3.293 1.00 55.31 C ATOM 821 O GLU A 50 -11.903 4.684 -3.140 1.00 53.14 O ATOM 822 CB GLU A 50 -13.151 1.646 -4.270 1.00 75.44 C ATOM 823 CG GLU A 50 -14.582 2.150 -3.923 1.00 52.14 C ATOM 824 CD GLU A 50 -14.747 2.818 -2.538 1.00 63.44 C ATOM 825 OE1 GLU A 50 -14.325 2.221 -1.524 1.00 5.42 O ATOM 826 OE2 GLU A 50 -15.289 3.943 -2.463 1.00 65.40 O ATOM 0 H GLU A 50 -10.955 1.031 -5.178 1.00 62.15 H new ATOM 0 HA GLU A 50 -12.478 3.456 -5.270 1.00 20.35 H new ATOM 0 HB2 GLU A 50 -13.227 0.988 -5.136 1.00 75.44 H new ATOM 0 HB3 GLU A 50 -12.797 1.038 -3.437 1.00 75.44 H new ATOM 0 HG2 GLU A 50 -14.890 2.863 -4.688 1.00 52.14 H new ATOM 0 HG3 GLU A 50 -15.268 1.305 -3.981 1.00 52.14 H new ATOM 833 N MET A 51 -10.891 2.777 -2.417 1.00 43.23 N ATOM 834 CA MET A 51 -10.352 3.299 -1.130 1.00 64.20 C ATOM 835 C MET A 51 -9.331 4.455 -1.355 1.00 5.51 C ATOM 836 O MET A 51 -9.327 5.458 -0.633 1.00 4.32 O ATOM 837 CB MET A 51 -9.673 2.113 -0.371 1.00 41.42 C ATOM 838 CG MET A 51 -9.005 2.432 0.991 1.00 13.13 C ATOM 839 SD MET A 51 -10.173 2.559 2.377 1.00 63.31 S ATOM 840 CE MET A 51 -10.845 4.213 2.212 1.00 54.30 C ATOM 0 H MET A 51 -10.647 1.800 -2.581 1.00 43.23 H new ATOM 0 HA MET A 51 -11.171 3.713 -0.542 1.00 64.20 H new ATOM 0 HB2 MET A 51 -10.426 1.343 -0.205 1.00 41.42 H new ATOM 0 HB3 MET A 51 -8.916 1.683 -1.026 1.00 41.42 H new ATOM 0 HG2 MET A 51 -8.274 1.656 1.216 1.00 13.13 H new ATOM 0 HG3 MET A 51 -8.457 3.370 0.904 1.00 13.13 H new ATOM 0 HE1 MET A 51 -11.097 4.603 3.198 1.00 54.30 H new ATOM 0 HE2 MET A 51 -10.105 4.861 1.744 1.00 54.30 H new ATOM 0 HE3 MET A 51 -11.742 4.181 1.594 1.00 54.30 H new ATOM 850 N MET A 52 -8.493 4.275 -2.379 1.00 74.32 N ATOM 851 CA MET A 52 -7.368 5.168 -2.731 1.00 1.15 C ATOM 852 C MET A 52 -7.868 6.463 -3.415 1.00 3.15 C ATOM 853 O MET A 52 -7.241 7.519 -3.297 1.00 43.44 O ATOM 854 CB MET A 52 -6.386 4.354 -3.631 1.00 20.41 C ATOM 855 CG MET A 52 -5.129 5.085 -4.143 1.00 75.34 C ATOM 856 SD MET A 52 -5.430 6.121 -5.600 1.00 34.21 S ATOM 857 CE MET A 52 -6.038 4.917 -6.794 1.00 12.02 C ATOM 0 H MET A 52 -8.575 3.479 -3.012 1.00 74.32 H new ATOM 0 HA MET A 52 -6.845 5.500 -1.834 1.00 1.15 H new ATOM 0 HB2 MET A 52 -6.062 3.477 -3.070 1.00 20.41 H new ATOM 0 HB3 MET A 52 -6.942 3.992 -4.496 1.00 20.41 H new ATOM 0 HG2 MET A 52 -4.730 5.707 -3.342 1.00 75.34 H new ATOM 0 HG3 MET A 52 -4.364 4.347 -4.385 1.00 75.34 H new ATOM 0 HE1 MET A 52 -5.846 5.278 -7.804 1.00 12.02 H new ATOM 0 HE2 MET A 52 -5.526 3.966 -6.645 1.00 12.02 H new ATOM 0 HE3 MET A 52 -7.110 4.778 -6.656 1.00 12.02 H new ATOM 867 N SER A 53 -9.004 6.361 -4.131 1.00 64.50 N ATOM 868 CA SER A 53 -9.675 7.524 -4.768 1.00 73.44 C ATOM 869 C SER A 53 -10.443 8.373 -3.725 1.00 74.54 C ATOM 870 O SER A 53 -10.541 9.598 -3.858 1.00 32.14 O ATOM 871 CB SER A 53 -10.636 7.044 -5.882 1.00 11.44 C ATOM 872 OG SER A 53 -11.269 8.132 -6.540 1.00 72.11 O ATOM 0 H SER A 53 -9.486 5.476 -4.287 1.00 64.50 H new ATOM 0 HA SER A 53 -8.904 8.155 -5.211 1.00 73.44 H new ATOM 0 HB2 SER A 53 -10.081 6.452 -6.610 1.00 11.44 H new ATOM 0 HB3 SER A 53 -11.394 6.390 -5.451 1.00 11.44 H new ATOM 0 HG SER A 53 -11.866 7.790 -7.237 1.00 72.11 H new ATOM 878 N LYS A 54 -10.994 7.694 -2.698 1.00 24.21 N ATOM 879 CA LYS A 54 -11.681 8.345 -1.550 1.00 72.23 C ATOM 880 C LYS A 54 -10.688 9.129 -0.661 1.00 20.13 C ATOM 881 O LYS A 54 -10.872 10.322 -0.397 1.00 30.12 O ATOM 882 CB LYS A 54 -12.406 7.261 -0.700 1.00 21.44 C ATOM 883 CG LYS A 54 -13.677 6.665 -1.353 1.00 44.42 C ATOM 884 CD LYS A 54 -14.882 7.639 -1.345 1.00 1.33 C ATOM 885 CE LYS A 54 -15.327 8.014 0.085 1.00 10.14 C ATOM 886 NZ LYS A 54 -15.658 6.813 0.909 1.00 42.14 N ATOM 0 H LYS A 54 -10.978 6.676 -2.636 1.00 24.21 H new ATOM 0 HA LYS A 54 -12.405 9.057 -1.947 1.00 72.23 H new ATOM 0 HB2 LYS A 54 -11.706 6.451 -0.496 1.00 21.44 H new ATOM 0 HB3 LYS A 54 -12.679 7.696 0.262 1.00 21.44 H new ATOM 0 HG2 LYS A 54 -13.452 6.385 -2.382 1.00 44.42 H new ATOM 0 HG3 LYS A 54 -13.953 5.751 -0.827 1.00 44.42 H new ATOM 0 HD2 LYS A 54 -14.617 8.545 -1.889 1.00 1.33 H new ATOM 0 HD3 LYS A 54 -15.718 7.182 -1.875 1.00 1.33 H new ATOM 0 HE2 LYS A 54 -14.533 8.580 0.573 1.00 10.14 H new ATOM 0 HE3 LYS A 54 -16.198 8.667 0.033 1.00 10.14 H new ATOM 0 HZ1 LYS A 54 -16.094 7.115 1.803 1.00 42.14 H new ATOM 0 HZ2 LYS A 54 -16.322 6.206 0.387 1.00 42.14 H new ATOM 0 HZ3 LYS A 54 -14.788 6.280 1.111 1.00 42.14 H new ATOM 900 N GLU A 55 -9.633 8.434 -0.221 1.00 62.21 N ATOM 901 CA GLU A 55 -8.567 9.002 0.634 1.00 30.43 C ATOM 902 C GLU A 55 -7.225 8.939 -0.127 1.00 15.32 C ATOM 903 O GLU A 55 -6.520 7.918 -0.113 1.00 73.42 O ATOM 904 CB GLU A 55 -8.507 8.245 1.993 1.00 1.30 C ATOM 905 CG GLU A 55 -9.792 8.386 2.843 1.00 23.35 C ATOM 906 CD GLU A 55 -9.746 7.613 4.174 1.00 2.01 C ATOM 907 OE1 GLU A 55 -8.895 7.940 5.034 1.00 2.13 O ATOM 908 OE2 GLU A 55 -10.574 6.692 4.382 1.00 2.53 O ATOM 0 H GLU A 55 -9.487 7.450 -0.447 1.00 62.21 H new ATOM 0 HA GLU A 55 -8.782 10.046 0.861 1.00 30.43 H new ATOM 0 HB2 GLU A 55 -8.323 7.188 1.802 1.00 1.30 H new ATOM 0 HB3 GLU A 55 -7.659 8.617 2.568 1.00 1.30 H new ATOM 0 HG2 GLU A 55 -9.963 9.442 3.053 1.00 23.35 H new ATOM 0 HG3 GLU A 55 -10.643 8.035 2.259 1.00 23.35 H new ATOM 915 N GLN A 56 -6.911 10.049 -0.818 1.00 54.41 N ATOM 916 CA GLN A 56 -5.789 10.121 -1.771 1.00 4.04 C ATOM 917 C GLN A 56 -4.418 10.263 -1.062 1.00 54.31 C ATOM 918 O GLN A 56 -4.209 11.179 -0.256 1.00 3.35 O ATOM 919 CB GLN A 56 -6.026 11.289 -2.765 1.00 42.44 C ATOM 920 CG GLN A 56 -7.358 11.186 -3.545 1.00 15.33 C ATOM 921 CD GLN A 56 -7.527 12.274 -4.612 1.00 53.34 C ATOM 922 OE1 GLN A 56 -8.056 13.352 -4.348 1.00 72.15 O ATOM 923 NE2 GLN A 56 -7.072 12.005 -5.819 1.00 25.23 N ATOM 0 H GLN A 56 -7.429 10.923 -0.731 1.00 54.41 H new ATOM 0 HA GLN A 56 -5.754 9.180 -2.320 1.00 4.04 H new ATOM 0 HB2 GLN A 56 -6.010 12.230 -2.215 1.00 42.44 H new ATOM 0 HB3 GLN A 56 -5.201 11.321 -3.477 1.00 42.44 H new ATOM 0 HG2 GLN A 56 -7.416 10.208 -4.022 1.00 15.33 H new ATOM 0 HG3 GLN A 56 -8.188 11.247 -2.841 1.00 15.33 H new ATOM 0 HE21 GLN A 56 -6.637 11.102 -6.011 1.00 25.23 H new ATOM 0 HE22 GLN A 56 -7.154 12.699 -6.562 1.00 25.23 H new ATOM 932 N PHE A 57 -3.498 9.337 -1.379 1.00 53.41 N ATOM 933 CA PHE A 57 -2.112 9.333 -0.849 1.00 34.24 C ATOM 934 C PHE A 57 -1.175 10.197 -1.742 1.00 12.23 C ATOM 935 O PHE A 57 -1.565 10.632 -2.839 1.00 24.43 O ATOM 936 CB PHE A 57 -1.582 7.868 -0.789 1.00 13.03 C ATOM 937 CG PHE A 57 -2.566 6.871 -0.164 1.00 32.15 C ATOM 938 CD1 PHE A 57 -2.756 6.813 1.216 1.00 43.41 C ATOM 939 CD2 PHE A 57 -3.303 5.992 -0.964 1.00 31.14 C ATOM 940 CE1 PHE A 57 -3.651 5.915 1.773 1.00 62.13 C ATOM 941 CE2 PHE A 57 -4.194 5.096 -0.405 1.00 71.20 C ATOM 942 CZ PHE A 57 -4.367 5.056 0.961 1.00 64.25 C ATOM 0 H PHE A 57 -3.690 8.562 -2.014 1.00 53.41 H new ATOM 0 HA PHE A 57 -2.121 9.762 0.153 1.00 34.24 H new ATOM 0 HB2 PHE A 57 -1.341 7.539 -1.800 1.00 13.03 H new ATOM 0 HB3 PHE A 57 -0.654 7.852 -0.218 1.00 13.03 H new ATOM 0 HD1 PHE A 57 -2.198 7.477 1.859 1.00 43.41 H new ATOM 0 HD2 PHE A 57 -3.174 6.014 -2.036 1.00 31.14 H new ATOM 0 HE1 PHE A 57 -3.790 5.886 2.844 1.00 62.13 H new ATOM 0 HE2 PHE A 57 -4.755 4.426 -1.040 1.00 71.20 H new ATOM 0 HZ PHE A 57 -5.062 4.354 1.397 1.00 64.25 H new ATOM 952 N ASN A 58 0.060 10.430 -1.263 1.00 62.21 N ATOM 953 CA ASN A 58 1.127 11.093 -2.060 1.00 24.04 C ATOM 954 C ASN A 58 1.660 10.136 -3.156 1.00 40.42 C ATOM 955 O ASN A 58 1.593 8.923 -2.998 1.00 24.13 O ATOM 956 CB ASN A 58 2.280 11.561 -1.138 1.00 42.31 C ATOM 957 CG ASN A 58 1.833 12.607 -0.112 1.00 35.24 C ATOM 958 OD1 ASN A 58 1.888 13.809 -0.363 1.00 23.42 O ATOM 959 ND2 ASN A 58 1.376 12.162 1.043 1.00 14.42 N ATOM 0 H ASN A 58 0.353 10.169 -0.321 1.00 62.21 H new ATOM 0 HA ASN A 58 0.700 11.969 -2.548 1.00 24.04 H new ATOM 0 HB2 ASN A 58 2.693 10.699 -0.615 1.00 42.31 H new ATOM 0 HB3 ASN A 58 3.081 11.977 -1.749 1.00 42.31 H new ATOM 0 HD21 ASN A 58 1.057 12.821 1.753 1.00 14.42 H new ATOM 0 HD22 ASN A 58 1.341 11.159 1.225 1.00 14.42 H new ATOM 966 N GLU A 59 2.197 10.695 -4.255 1.00 0.55 N ATOM 967 CA GLU A 59 2.619 9.912 -5.453 1.00 50.14 C ATOM 968 C GLU A 59 3.817 8.958 -5.168 1.00 3.03 C ATOM 969 O GLU A 59 3.916 7.878 -5.765 1.00 61.05 O ATOM 970 CB GLU A 59 2.928 10.876 -6.631 1.00 32.52 C ATOM 971 CG GLU A 59 4.067 11.883 -6.365 1.00 12.43 C ATOM 972 CD GLU A 59 4.245 12.916 -7.489 1.00 24.12 C ATOM 973 OE1 GLU A 59 4.643 12.521 -8.606 1.00 23.10 O ATOM 974 OE2 GLU A 59 4.010 14.128 -7.261 1.00 45.42 O ATOM 0 H GLU A 59 2.355 11.698 -4.348 1.00 0.55 H new ATOM 0 HA GLU A 59 1.787 9.265 -5.729 1.00 50.14 H new ATOM 0 HB2 GLU A 59 3.185 10.283 -7.509 1.00 32.52 H new ATOM 0 HB3 GLU A 59 2.022 11.431 -6.875 1.00 32.52 H new ATOM 0 HG2 GLU A 59 3.868 12.406 -5.430 1.00 12.43 H new ATOM 0 HG3 GLU A 59 5.001 11.337 -6.233 1.00 12.43 H new ATOM 981 N ALA A 60 4.716 9.364 -4.249 1.00 14.34 N ATOM 982 CA ALA A 60 5.815 8.500 -3.743 1.00 63.12 C ATOM 983 C ALA A 60 5.261 7.318 -2.916 1.00 4.43 C ATOM 984 O ALA A 60 5.756 6.185 -3.021 1.00 31.41 O ATOM 985 CB ALA A 60 6.808 9.331 -2.905 1.00 3.42 C ATOM 0 H ALA A 60 4.706 10.296 -3.834 1.00 14.34 H new ATOM 0 HA ALA A 60 6.343 8.087 -4.602 1.00 63.12 H new ATOM 0 HB1 ALA A 60 7.607 8.685 -2.541 1.00 3.42 H new ATOM 0 HB2 ALA A 60 7.234 10.121 -3.523 1.00 3.42 H new ATOM 0 HB3 ALA A 60 6.286 9.775 -2.057 1.00 3.42 H new ATOM 991 N GLN A 61 4.223 7.607 -2.101 1.00 24.25 N ATOM 992 CA GLN A 61 3.491 6.582 -1.324 1.00 20.22 C ATOM 993 C GLN A 61 2.800 5.566 -2.265 1.00 24.44 C ATOM 994 O GLN A 61 2.866 4.364 -2.033 1.00 53.12 O ATOM 995 CB GLN A 61 2.439 7.249 -0.387 1.00 42.11 C ATOM 996 CG GLN A 61 3.032 8.136 0.730 1.00 13.13 C ATOM 997 CD GLN A 61 1.976 8.730 1.678 1.00 64.41 C ATOM 998 OE1 GLN A 61 0.853 9.015 1.284 1.00 51.04 O ATOM 999 NE2 GLN A 61 2.324 8.930 2.933 1.00 2.23 N ATOM 0 H GLN A 61 3.870 8.554 -1.963 1.00 24.25 H new ATOM 0 HA GLN A 61 4.215 6.046 -0.710 1.00 20.22 H new ATOM 0 HB2 GLN A 61 1.766 7.855 -0.994 1.00 42.11 H new ATOM 0 HB3 GLN A 61 1.835 6.466 0.073 1.00 42.11 H new ATOM 0 HG2 GLN A 61 3.739 7.546 1.313 1.00 13.13 H new ATOM 0 HG3 GLN A 61 3.596 8.950 0.274 1.00 13.13 H new ATOM 0 HE21 GLN A 61 3.264 8.687 3.247 1.00 2.23 H new ATOM 0 HE22 GLN A 61 1.654 9.327 3.591 1.00 2.23 H new ATOM 1008 N LEU A 62 2.168 6.080 -3.340 1.00 0.21 N ATOM 1009 CA LEU A 62 1.469 5.254 -4.354 1.00 14.41 C ATOM 1010 C LEU A 62 2.426 4.266 -5.048 1.00 62.53 C ATOM 1011 O LEU A 62 2.099 3.094 -5.202 1.00 53.31 O ATOM 1012 CB LEU A 62 0.801 6.158 -5.418 1.00 11.04 C ATOM 1013 CG LEU A 62 -0.352 7.074 -4.912 1.00 43.53 C ATOM 1014 CD1 LEU A 62 -0.849 8.022 -6.027 1.00 60.02 C ATOM 1015 CD2 LEU A 62 -1.511 6.237 -4.326 1.00 11.31 C ATOM 0 H LEU A 62 2.126 7.081 -3.532 1.00 0.21 H new ATOM 0 HA LEU A 62 0.707 4.677 -3.830 1.00 14.41 H new ATOM 0 HB2 LEU A 62 1.570 6.789 -5.864 1.00 11.04 H new ATOM 0 HB3 LEU A 62 0.410 5.522 -6.212 1.00 11.04 H new ATOM 0 HG LEU A 62 0.046 7.695 -4.110 1.00 43.53 H new ATOM 0 HD11 LEU A 62 -1.654 8.648 -5.641 1.00 60.02 H new ATOM 0 HD12 LEU A 62 -0.026 8.654 -6.361 1.00 60.02 H new ATOM 0 HD13 LEU A 62 -1.218 7.434 -6.867 1.00 60.02 H new ATOM 0 HD21 LEU A 62 -2.302 6.903 -3.980 1.00 11.31 H new ATOM 0 HD22 LEU A 62 -1.906 5.573 -5.095 1.00 11.31 H new ATOM 0 HD23 LEU A 62 -1.144 5.644 -3.488 1.00 11.31 H new ATOM 1027 N ALA A 63 3.605 4.774 -5.461 1.00 25.51 N ATOM 1028 CA ALA A 63 4.663 3.971 -6.117 1.00 53.11 C ATOM 1029 C ALA A 63 5.104 2.767 -5.248 1.00 62.32 C ATOM 1030 O ALA A 63 5.347 1.666 -5.759 1.00 73.51 O ATOM 1031 CB ALA A 63 5.863 4.877 -6.452 1.00 21.00 C ATOM 0 H ALA A 63 3.853 5.757 -5.349 1.00 25.51 H new ATOM 0 HA ALA A 63 4.253 3.557 -7.039 1.00 53.11 H new ATOM 0 HB1 ALA A 63 6.641 4.286 -6.935 1.00 21.00 H new ATOM 0 HB2 ALA A 63 5.542 5.672 -7.124 1.00 21.00 H new ATOM 0 HB3 ALA A 63 6.256 5.314 -5.534 1.00 21.00 H new ATOM 1037 N LEU A 64 5.195 2.999 -3.927 1.00 52.10 N ATOM 1038 CA LEU A 64 5.514 1.945 -2.943 1.00 31.55 C ATOM 1039 C LEU A 64 4.364 0.916 -2.793 1.00 54.21 C ATOM 1040 O LEU A 64 4.599 -0.293 -2.801 1.00 61.01 O ATOM 1041 CB LEU A 64 5.797 2.587 -1.576 1.00 62.55 C ATOM 1042 CG LEU A 64 6.296 1.612 -0.469 1.00 74.31 C ATOM 1043 CD1 LEU A 64 7.737 1.121 -0.750 1.00 11.21 C ATOM 1044 CD2 LEU A 64 6.179 2.261 0.913 1.00 52.54 C ATOM 0 H LEU A 64 5.050 3.919 -3.510 1.00 52.10 H new ATOM 0 HA LEU A 64 6.393 1.413 -3.307 1.00 31.55 H new ATOM 0 HB2 LEU A 64 6.543 3.370 -1.709 1.00 62.55 H new ATOM 0 HB3 LEU A 64 4.885 3.071 -1.226 1.00 62.55 H new ATOM 0 HG LEU A 64 5.654 0.731 -0.481 1.00 74.31 H new ATOM 0 HD11 LEU A 64 8.051 0.443 0.043 1.00 11.21 H new ATOM 0 HD12 LEU A 64 7.763 0.598 -1.706 1.00 11.21 H new ATOM 0 HD13 LEU A 64 8.412 1.976 -0.785 1.00 11.21 H new ATOM 0 HD21 LEU A 64 6.532 1.564 1.673 1.00 52.54 H new ATOM 0 HD22 LEU A 64 6.784 3.167 0.942 1.00 52.54 H new ATOM 0 HD23 LEU A 64 5.137 2.514 1.109 1.00 52.54 H new ATOM 1056 N ILE A 65 3.122 1.427 -2.635 1.00 61.21 N ATOM 1057 CA ILE A 65 1.904 0.590 -2.486 1.00 65.14 C ATOM 1058 C ILE A 65 1.701 -0.345 -3.715 1.00 34.20 C ATOM 1059 O ILE A 65 1.202 -1.470 -3.578 1.00 42.43 O ATOM 1060 CB ILE A 65 0.626 1.494 -2.250 1.00 52.31 C ATOM 1061 CG1 ILE A 65 0.740 2.293 -0.904 1.00 41.42 C ATOM 1062 CG2 ILE A 65 -0.670 0.660 -2.273 1.00 64.42 C ATOM 1063 CD1 ILE A 65 -0.397 3.280 -0.635 1.00 64.11 C ATOM 0 H ILE A 65 2.933 2.429 -2.607 1.00 61.21 H new ATOM 0 HA ILE A 65 2.043 -0.043 -1.609 1.00 65.14 H new ATOM 0 HB ILE A 65 0.580 2.208 -3.072 1.00 52.31 H new ATOM 0 HG12 ILE A 65 0.784 1.581 -0.080 1.00 41.42 H new ATOM 0 HG13 ILE A 65 1.683 2.840 -0.903 1.00 41.42 H new ATOM 0 HG21 ILE A 65 -1.526 1.314 -2.108 1.00 64.42 H new ATOM 0 HG22 ILE A 65 -0.770 0.169 -3.241 1.00 64.42 H new ATOM 0 HG23 ILE A 65 -0.632 -0.094 -1.486 1.00 64.42 H new ATOM 0 HD11 ILE A 65 -0.226 3.781 0.318 1.00 64.11 H new ATOM 0 HD12 ILE A 65 -0.432 4.021 -1.434 1.00 64.11 H new ATOM 0 HD13 ILE A 65 -1.344 2.742 -0.597 1.00 64.11 H new ATOM 1075 N ARG A 66 2.111 0.136 -4.909 1.00 51.21 N ATOM 1076 CA ARG A 66 2.119 -0.669 -6.150 1.00 61.45 C ATOM 1077 C ARG A 66 3.024 -1.915 -5.995 1.00 44.34 C ATOM 1078 O ARG A 66 2.607 -3.014 -6.329 1.00 63.11 O ATOM 1079 CB ARG A 66 2.569 0.203 -7.360 1.00 0.21 C ATOM 1080 CG ARG A 66 1.564 1.311 -7.755 1.00 4.40 C ATOM 1081 CD ARG A 66 2.087 2.235 -8.871 1.00 33.50 C ATOM 1082 NE ARG A 66 1.121 3.299 -9.191 1.00 61.11 N ATOM 1083 CZ ARG A 66 1.244 4.176 -10.165 1.00 31.20 C ATOM 1084 NH1 ARG A 66 2.297 4.202 -10.924 1.00 4.32 N ATOM 1085 NH2 ARG A 66 0.311 5.042 -10.360 1.00 4.00 N ATOM 0 H ARG A 66 2.445 1.091 -5.039 1.00 51.21 H new ATOM 0 HA ARG A 66 1.104 -1.018 -6.340 1.00 61.45 H new ATOM 0 HB2 ARG A 66 3.527 0.665 -7.123 1.00 0.21 H new ATOM 0 HB3 ARG A 66 2.732 -0.446 -8.220 1.00 0.21 H new ATOM 0 HG2 ARG A 66 0.633 0.848 -8.082 1.00 4.40 H new ATOM 0 HG3 ARG A 66 1.330 1.911 -6.875 1.00 4.40 H new ATOM 0 HD2 ARG A 66 3.032 2.682 -8.561 1.00 33.50 H new ATOM 0 HD3 ARG A 66 2.291 1.647 -9.766 1.00 33.50 H new ATOM 0 HE ARG A 66 0.286 3.362 -8.609 1.00 61.11 H new ATOM 0 HH11 ARG A 66 3.052 3.533 -10.772 1.00 4.32 H new ATOM 0 HH12 ARG A 66 2.369 4.891 -11.672 1.00 4.32 H new ATOM 0 HH21 ARG A 66 -0.515 5.045 -9.762 1.00 4.00 H new ATOM 0 HH22 ARG A 66 0.398 5.725 -11.112 1.00 4.00 H new ATOM 1099 N ASP A 67 4.246 -1.723 -5.451 1.00 40.42 N ATOM 1100 CA ASP A 67 5.188 -2.837 -5.138 1.00 52.52 C ATOM 1101 C ASP A 67 4.569 -3.848 -4.136 1.00 31.32 C ATOM 1102 O ASP A 67 4.681 -5.060 -4.316 1.00 44.25 O ATOM 1103 CB ASP A 67 6.518 -2.261 -4.572 1.00 2.20 C ATOM 1104 CG ASP A 67 7.513 -3.346 -4.104 1.00 1.01 C ATOM 1105 OD1 ASP A 67 8.095 -4.036 -4.969 1.00 23.42 O ATOM 1106 OD2 ASP A 67 7.706 -3.525 -2.871 1.00 1.15 O ATOM 0 H ASP A 67 4.612 -0.800 -5.215 1.00 40.42 H new ATOM 0 HA ASP A 67 5.391 -3.376 -6.064 1.00 52.52 H new ATOM 0 HB2 ASP A 67 6.994 -1.649 -5.338 1.00 2.20 H new ATOM 0 HB3 ASP A 67 6.291 -1.602 -3.734 1.00 2.20 H new ATOM 1111 N ILE A 68 3.917 -3.315 -3.090 1.00 34.22 N ATOM 1112 CA ILE A 68 3.251 -4.109 -2.028 1.00 42.44 C ATOM 1113 C ILE A 68 2.152 -5.050 -2.609 1.00 20.31 C ATOM 1114 O ILE A 68 2.102 -6.243 -2.285 1.00 53.12 O ATOM 1115 CB ILE A 68 2.643 -3.124 -0.950 1.00 61.13 C ATOM 1116 CG1 ILE A 68 3.793 -2.309 -0.257 1.00 73.30 C ATOM 1117 CG2 ILE A 68 1.759 -3.856 0.085 1.00 73.04 C ATOM 1118 CD1 ILE A 68 3.341 -1.247 0.738 1.00 13.13 C ATOM 0 H ILE A 68 3.833 -2.308 -2.950 1.00 34.22 H new ATOM 0 HA ILE A 68 3.994 -4.752 -1.556 1.00 42.44 H new ATOM 0 HB ILE A 68 1.985 -2.427 -1.469 1.00 61.13 H new ATOM 0 HG12 ILE A 68 4.450 -3.009 0.260 1.00 73.30 H new ATOM 0 HG13 ILE A 68 4.389 -1.826 -1.031 1.00 73.30 H new ATOM 0 HG21 ILE A 68 1.366 -3.135 0.802 1.00 73.04 H new ATOM 0 HG22 ILE A 68 0.931 -4.347 -0.426 1.00 73.04 H new ATOM 0 HG23 ILE A 68 2.355 -4.602 0.610 1.00 73.04 H new ATOM 0 HD11 ILE A 68 4.214 -0.746 1.157 1.00 13.13 H new ATOM 0 HD12 ILE A 68 2.712 -0.516 0.230 1.00 13.13 H new ATOM 0 HD13 ILE A 68 2.774 -1.718 1.541 1.00 13.13 H new ATOM 1130 N ARG A 69 1.299 -4.491 -3.490 1.00 60.24 N ATOM 1131 CA ARG A 69 0.193 -5.233 -4.142 1.00 22.42 C ATOM 1132 C ARG A 69 0.767 -6.222 -5.206 1.00 34.32 C ATOM 1133 O ARG A 69 0.313 -7.364 -5.317 1.00 73.43 O ATOM 1134 CB ARG A 69 -0.820 -4.199 -4.763 1.00 34.20 C ATOM 1135 CG ARG A 69 -2.338 -4.576 -4.701 1.00 73.10 C ATOM 1136 CD ARG A 69 -2.846 -5.444 -5.875 1.00 22.21 C ATOM 1137 NE ARG A 69 -2.359 -6.825 -5.825 1.00 73.25 N ATOM 1138 CZ ARG A 69 -2.604 -7.763 -6.717 1.00 13.24 C ATOM 1139 NH1 ARG A 69 -3.315 -7.533 -7.770 1.00 31.42 N ATOM 1140 NH2 ARG A 69 -2.124 -8.949 -6.531 1.00 63.34 N ATOM 0 H ARG A 69 1.354 -3.512 -3.772 1.00 60.24 H new ATOM 0 HA ARG A 69 -0.347 -5.835 -3.411 1.00 22.42 H new ATOM 0 HB2 ARG A 69 -0.686 -3.244 -4.255 1.00 34.20 H new ATOM 0 HB3 ARG A 69 -0.550 -4.044 -5.808 1.00 34.20 H new ATOM 0 HG2 ARG A 69 -2.527 -5.107 -3.768 1.00 73.10 H new ATOM 0 HG3 ARG A 69 -2.924 -3.657 -4.669 1.00 73.10 H new ATOM 0 HD2 ARG A 69 -3.936 -5.450 -5.869 1.00 22.21 H new ATOM 0 HD3 ARG A 69 -2.535 -4.990 -6.816 1.00 22.21 H new ATOM 0 HE ARG A 69 -1.778 -7.083 -5.028 1.00 73.25 H new ATOM 0 HH11 ARG A 69 -3.705 -6.604 -7.929 1.00 31.42 H new ATOM 0 HH12 ARG A 69 -3.487 -8.280 -8.442 1.00 31.42 H new ATOM 0 HH21 ARG A 69 -1.564 -9.148 -5.702 1.00 63.34 H new ATOM 0 HH22 ARG A 69 -2.305 -9.685 -7.213 1.00 63.34 H new ATOM 1154 N ARG A 70 1.801 -5.768 -5.950 1.00 11.13 N ATOM 1155 CA ARG A 70 2.500 -6.585 -6.982 1.00 63.43 C ATOM 1156 C ARG A 70 3.242 -7.801 -6.376 1.00 44.24 C ATOM 1157 O ARG A 70 3.410 -8.818 -7.050 1.00 71.22 O ATOM 1158 CB ARG A 70 3.500 -5.707 -7.794 1.00 21.13 C ATOM 1159 CG ARG A 70 2.857 -4.818 -8.887 1.00 64.22 C ATOM 1160 CD ARG A 70 2.261 -5.644 -10.046 1.00 23.14 C ATOM 1161 NE ARG A 70 3.266 -6.556 -10.629 1.00 62.14 N ATOM 1162 CZ ARG A 70 3.762 -6.494 -11.842 1.00 72.04 C ATOM 1163 NH1 ARG A 70 3.395 -5.580 -12.683 1.00 1.51 N ATOM 1164 NH2 ARG A 70 4.655 -7.357 -12.199 1.00 0.22 N ATOM 0 H ARG A 70 2.178 -4.825 -5.856 1.00 11.13 H new ATOM 0 HA ARG A 70 1.729 -6.971 -7.648 1.00 63.43 H new ATOM 0 HB2 ARG A 70 4.043 -5.066 -7.100 1.00 21.13 H new ATOM 0 HB3 ARG A 70 4.234 -6.361 -8.265 1.00 21.13 H new ATOM 0 HG2 ARG A 70 2.073 -4.208 -8.439 1.00 64.22 H new ATOM 0 HG3 ARG A 70 3.608 -4.133 -9.282 1.00 64.22 H new ATOM 0 HD2 ARG A 70 1.410 -6.221 -9.684 1.00 23.14 H new ATOM 0 HD3 ARG A 70 1.885 -4.972 -10.818 1.00 23.14 H new ATOM 0 HE ARG A 70 3.608 -7.307 -10.030 1.00 62.14 H new ATOM 0 HH11 ARG A 70 2.703 -4.883 -12.409 1.00 1.51 H new ATOM 0 HH12 ARG A 70 3.798 -5.557 -13.620 1.00 1.51 H new ATOM 0 HH21 ARG A 70 4.964 -8.073 -11.541 1.00 0.22 H new ATOM 0 HH22 ARG A 70 5.051 -7.323 -13.139 1.00 0.22 H new ATOM 1178 N ARG A 71 3.710 -7.676 -5.124 1.00 22.13 N ATOM 1179 CA ARG A 71 4.358 -8.790 -4.391 1.00 41.42 C ATOM 1180 C ARG A 71 3.314 -9.702 -3.705 1.00 1.30 C ATOM 1181 O ARG A 71 3.584 -10.885 -3.457 1.00 43.42 O ATOM 1182 CB ARG A 71 5.395 -8.240 -3.371 1.00 75.31 C ATOM 1183 CG ARG A 71 6.704 -7.741 -4.030 1.00 75.33 C ATOM 1184 CD ARG A 71 7.779 -7.271 -3.024 1.00 34.30 C ATOM 1185 NE ARG A 71 9.138 -7.420 -3.594 1.00 24.43 N ATOM 1186 CZ ARG A 71 10.130 -6.562 -3.488 1.00 50.52 C ATOM 1187 NH1 ARG A 71 9.974 -5.400 -2.935 1.00 12.10 N ATOM 1188 NH2 ARG A 71 11.281 -6.868 -3.992 1.00 21.31 N ATOM 0 H ARG A 71 3.654 -6.809 -4.589 1.00 22.13 H new ATOM 0 HA ARG A 71 4.891 -9.407 -5.115 1.00 41.42 H new ATOM 0 HB2 ARG A 71 4.944 -7.420 -2.812 1.00 75.31 H new ATOM 0 HB3 ARG A 71 5.635 -9.023 -2.651 1.00 75.31 H new ATOM 0 HG2 ARG A 71 7.119 -8.543 -4.640 1.00 75.33 H new ATOM 0 HG3 ARG A 71 6.468 -6.917 -4.704 1.00 75.33 H new ATOM 0 HD2 ARG A 71 7.604 -6.228 -2.759 1.00 34.30 H new ATOM 0 HD3 ARG A 71 7.700 -7.851 -2.104 1.00 34.30 H new ATOM 0 HE ARG A 71 9.323 -8.273 -4.121 1.00 24.43 H new ATOM 0 HH11 ARG A 71 9.062 -5.129 -2.567 1.00 12.10 H new ATOM 0 HH12 ARG A 71 10.763 -4.757 -2.868 1.00 12.10 H new ATOM 0 HH21 ARG A 71 11.410 -7.763 -4.463 1.00 21.31 H new ATOM 0 HH22 ARG A 71 12.060 -6.214 -3.918 1.00 21.31 H new