USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 279 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 30 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.16) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -1.16 USER MOD Single : A 35 THR OG1 : rot 77:sc= 0.727 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 65:sc= 0.543 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0212 USER MOD ----------------------------------------------------------------- ATOM 355 N ILE A 28 1.369 -7.416 -1.082 1.00 0.00 N ATOM 356 CA ILE A 28 0.733 -6.109 -1.109 1.00 0.00 C ATOM 357 C ILE A 28 1.561 -5.127 -0.277 1.00 0.00 C ATOM 358 O ILE A 28 1.484 -5.128 0.950 1.00 0.00 O ATOM 359 CB ILE A 28 -0.727 -6.215 -0.662 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.526 -7.112 -1.609 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.357 -4.828 -0.518 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.585 -7.909 -0.845 1.00 0.00 C ATOM 0 HA ILE A 28 0.704 -5.720 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.751 -6.684 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.006 -6.502 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.851 -7.796 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.394 -4.931 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.805 -4.253 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.321 -4.311 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.139 -8.539 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.099 -8.535 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.272 -7.222 -0.352 1.00 0.00 H new ATOM 374 N ASP A 29 2.334 -4.312 -0.980 1.00 0.00 N ATOM 375 CA ASP A 29 3.175 -3.327 -0.322 1.00 0.00 C ATOM 376 C ASP A 29 2.297 -2.371 0.487 1.00 0.00 C ATOM 377 O ASP A 29 1.244 -1.941 0.016 1.00 0.00 O ATOM 378 CB ASP A 29 3.957 -2.500 -1.344 1.00 0.00 C ATOM 379 CG ASP A 29 4.520 -3.294 -2.525 1.00 0.00 C ATOM 380 OD1 ASP A 29 3.695 -3.768 -3.335 1.00 0.00 O ATOM 381 OD2 ASP A 29 5.763 -3.411 -2.590 1.00 0.00 O ATOM 0 H ASP A 29 2.395 -4.314 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 29 3.874 -3.858 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.305 -1.717 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.782 -2.004 -0.833 1.00 0.00 H new ATOM 386 N GLN A 30 2.761 -2.065 1.690 1.00 0.00 N ATOM 387 CA GLN A 30 2.030 -1.168 2.568 1.00 0.00 C ATOM 388 C GLN A 30 1.963 0.234 1.959 1.00 0.00 C ATOM 389 O GLN A 30 0.934 0.902 2.041 1.00 0.00 O ATOM 390 CB GLN A 30 2.661 -1.130 3.961 1.00 0.00 C ATOM 391 CG GLN A 30 1.827 -0.276 4.918 1.00 0.00 C ATOM 392 CD GLN A 30 0.732 -1.111 5.585 1.00 0.00 C ATOM 393 OE1 GLN A 30 0.979 -2.150 6.174 1.00 0.00 O ATOM 394 NE2 GLN A 30 -0.490 -0.599 5.459 1.00 0.00 N ATOM 0 H GLN A 30 3.634 -2.423 2.077 1.00 0.00 H new ATOM 0 HA GLN A 30 1.013 -1.545 2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.747 -2.143 4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.672 -0.727 3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.473 0.159 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.376 0.553 4.372 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.627 0.276 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.290 -1.081 5.869 1.00 0.00 H new ATOM 403 N SER A 31 3.074 0.638 1.360 1.00 0.00 N ATOM 404 CA SER A 31 3.155 1.948 0.737 1.00 0.00 C ATOM 405 C SER A 31 2.103 2.067 -0.368 1.00 0.00 C ATOM 406 O SER A 31 1.540 3.140 -0.580 1.00 0.00 O ATOM 407 CB SER A 31 4.552 2.202 0.168 1.00 0.00 C ATOM 408 OG SER A 31 5.066 3.471 0.563 1.00 0.00 O ATOM 0 H SER A 31 3.926 0.081 1.293 1.00 0.00 H new ATOM 0 HA SER A 31 2.960 2.702 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.229 1.416 0.504 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.516 2.148 -0.920 1.00 0.00 H new ATOM 0 HG SER A 31 5.960 3.595 0.181 1.00 0.00 H new ATOM 414 N SER A 32 1.869 0.951 -1.042 1.00 0.00 N ATOM 415 CA SER A 32 0.894 0.917 -2.119 1.00 0.00 C ATOM 416 C SER A 32 -0.502 1.215 -1.570 1.00 0.00 C ATOM 417 O SER A 32 -1.178 2.127 -2.044 1.00 0.00 O ATOM 418 CB SER A 32 0.908 -0.437 -2.831 1.00 0.00 C ATOM 419 OG SER A 32 2.191 -0.746 -3.367 1.00 0.00 O ATOM 0 H SER A 32 2.338 0.063 -0.863 1.00 0.00 H new ATOM 0 HA SER A 32 1.161 1.682 -2.848 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.610 -1.218 -2.131 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.171 -0.432 -3.634 1.00 0.00 H new ATOM 0 HG SER A 32 2.158 -1.619 -3.812 1.00 0.00 H new ATOM 425 N VAL A 33 -0.894 0.427 -0.579 1.00 0.00 N ATOM 426 CA VAL A 33 -2.199 0.595 0.039 1.00 0.00 C ATOM 427 C VAL A 33 -2.438 2.080 0.320 1.00 0.00 C ATOM 428 O VAL A 33 -3.569 2.556 0.240 1.00 0.00 O ATOM 429 CB VAL A 33 -2.299 -0.275 1.293 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.592 0.013 2.058 1.00 0.00 C ATOM 431 CG2 VAL A 33 -2.189 -1.759 0.942 1.00 0.00 C ATOM 0 H VAL A 33 -0.331 -0.329 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.988 0.261 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.461 -0.022 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.638 -0.619 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.612 1.061 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.448 -0.198 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.263 -2.355 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.996 -2.033 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.229 -1.949 0.461 1.00 0.00 H new ATOM 441 N ASP A 34 -1.354 2.771 0.642 1.00 0.00 N ATOM 442 CA ASP A 34 -1.432 4.191 0.935 1.00 0.00 C ATOM 443 C ASP A 34 -1.586 4.970 -0.373 1.00 0.00 C ATOM 444 O ASP A 34 -2.342 5.938 -0.438 1.00 0.00 O ATOM 445 CB ASP A 34 -0.160 4.681 1.630 1.00 0.00 C ATOM 446 CG ASP A 34 -0.314 5.981 2.421 1.00 0.00 C ATOM 447 OD1 ASP A 34 -1.442 6.221 2.905 1.00 0.00 O ATOM 448 OD2 ASP A 34 0.698 6.707 2.524 1.00 0.00 O ATOM 0 H ASP A 34 -0.417 2.373 0.706 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.287 4.353 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.189 3.901 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.616 4.821 0.877 1.00 0.00 H new ATOM 453 N THR A 35 -0.856 4.519 -1.382 1.00 0.00 N ATOM 454 CA THR A 35 -0.902 5.161 -2.685 1.00 0.00 C ATOM 455 C THR A 35 -2.350 5.310 -3.155 1.00 0.00 C ATOM 456 O THR A 35 -2.666 6.216 -3.925 1.00 0.00 O ATOM 457 CB THR A 35 -0.032 4.346 -3.644 1.00 0.00 C ATOM 458 OG1 THR A 35 1.283 4.469 -3.110 1.00 0.00 O ATOM 459 CG2 THR A 35 0.068 4.987 -5.030 1.00 0.00 C ATOM 0 H THR A 35 -0.229 3.717 -1.324 1.00 0.00 H new ATOM 0 HA THR A 35 -0.502 6.174 -2.642 1.00 0.00 H new ATOM 0 HB THR A 35 -0.439 3.339 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.378 3.878 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.696 4.369 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.928 5.068 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.507 5.981 -4.940 1.00 0.00 H new ATOM 467 N LEU A 36 -3.191 4.407 -2.672 1.00 0.00 N ATOM 468 CA LEU A 36 -4.598 4.427 -3.034 1.00 0.00 C ATOM 469 C LEU A 36 -5.380 5.216 -1.981 1.00 0.00 C ATOM 470 O LEU A 36 -6.459 5.734 -2.263 1.00 0.00 O ATOM 471 CB LEU A 36 -5.117 3.003 -3.245 1.00 0.00 C ATOM 472 CG LEU A 36 -4.694 2.322 -4.548 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.498 0.819 -4.342 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.688 2.622 -5.672 1.00 0.00 C ATOM 0 H LEU A 36 -2.925 3.657 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.739 4.938 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.781 2.387 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.206 3.025 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.732 2.734 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.198 0.359 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.724 0.652 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.433 0.373 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.363 2.126 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.676 2.256 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.734 3.698 -5.840 1.00 0.00 H new ATOM 486 N LEU A 37 -4.804 5.283 -0.790 1.00 0.00 N ATOM 487 CA LEU A 37 -5.433 6.000 0.306 1.00 0.00 C ATOM 488 C LEU A 37 -5.593 7.472 -0.079 1.00 0.00 C ATOM 489 O LEU A 37 -6.616 8.088 0.219 1.00 0.00 O ATOM 490 CB LEU A 37 -4.653 5.786 1.605 1.00 0.00 C ATOM 491 CG LEU A 37 -4.931 4.476 2.346 1.00 0.00 C ATOM 492 CD1 LEU A 37 -3.864 4.211 3.410 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.343 4.469 2.935 1.00 0.00 C ATOM 0 H LEU A 37 -3.908 4.852 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.433 5.608 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.588 5.833 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.872 6.615 2.278 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.878 3.658 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.085 3.274 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.885 4.143 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.860 5.027 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.515 3.527 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.449 5.297 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.073 4.578 2.133 1.00 0.00 H new ATOM 505 N SER A 38 -4.567 7.995 -0.734 1.00 0.00 N ATOM 506 CA SER A 38 -4.581 9.383 -1.163 1.00 0.00 C ATOM 507 C SER A 38 -5.554 9.560 -2.330 1.00 0.00 C ATOM 508 O SER A 38 -6.350 10.498 -2.343 1.00 0.00 O ATOM 509 CB SER A 38 -3.181 9.850 -1.564 1.00 0.00 C ATOM 510 OG SER A 38 -2.352 10.089 -0.429 1.00 0.00 O ATOM 0 H SER A 38 -3.720 7.482 -0.978 1.00 0.00 H new ATOM 0 HA SER A 38 -4.913 9.996 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.716 9.097 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.259 10.763 -2.155 1.00 0.00 H new ATOM 0 HG SER A 38 -1.466 10.384 -0.727 1.00 0.00 H new ATOM 516 N PHE A 39 -5.459 8.644 -3.283 1.00 0.00 N ATOM 517 CA PHE A 39 -6.321 8.688 -4.452 1.00 0.00 C ATOM 518 C PHE A 39 -7.773 8.956 -4.053 1.00 0.00 C ATOM 519 O PHE A 39 -8.404 9.876 -4.572 1.00 0.00 O ATOM 520 CB PHE A 39 -6.234 7.316 -5.123 1.00 0.00 C ATOM 521 CG PHE A 39 -5.093 7.188 -6.134 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.845 7.622 -5.809 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.326 6.642 -7.357 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.786 7.504 -6.748 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.267 6.524 -8.296 1.00 0.00 C ATOM 526 CZ PHE A 39 -3.019 6.957 -7.971 1.00 0.00 C ATOM 0 H PHE A 39 -4.798 7.867 -3.269 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.002 9.489 -5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.111 6.554 -4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.178 7.110 -5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.660 8.056 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.317 6.298 -7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.795 7.849 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.452 6.091 -9.268 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.213 6.866 -8.684 1.00 0.00 H new ATOM 536 N GLY A 40 -8.262 8.137 -3.133 1.00 0.00 N ATOM 537 CA GLY A 40 -9.628 8.274 -2.658 1.00 0.00 C ATOM 538 C GLY A 40 -10.300 6.907 -2.519 1.00 0.00 C ATOM 539 O GLY A 40 -11.300 6.633 -3.181 1.00 0.00 O ATOM 0 H GLY A 40 -7.736 7.376 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.632 8.785 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.197 8.894 -3.351 1.00 0.00 H new ATOM 543 N PHE A 41 -9.725 6.086 -1.653 1.00 0.00 N ATOM 544 CA PHE A 41 -10.256 4.753 -1.419 1.00 0.00 C ATOM 545 C PHE A 41 -9.970 4.293 0.012 1.00 0.00 C ATOM 546 O PHE A 41 -9.054 4.798 0.659 1.00 0.00 O ATOM 547 CB PHE A 41 -9.548 3.812 -2.395 1.00 0.00 C ATOM 548 CG PHE A 41 -9.543 4.306 -3.844 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.717 4.479 -4.507 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.364 4.572 -4.467 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.713 4.937 -5.851 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.359 5.031 -5.811 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.534 5.204 -6.475 1.00 0.00 C ATOM 0 H PHE A 41 -8.897 6.318 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.336 4.752 -1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.518 3.672 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.030 2.835 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.653 4.268 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.432 4.434 -3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.646 5.073 -6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.423 5.243 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.531 5.553 -7.497 1.00 0.00 H new ATOM 563 N ALA A 42 -10.772 3.340 0.464 1.00 0.00 N ATOM 564 CA ALA A 42 -10.618 2.807 1.806 1.00 0.00 C ATOM 565 C ALA A 42 -9.410 1.867 1.841 1.00 0.00 C ATOM 566 O ALA A 42 -9.250 1.024 0.960 1.00 0.00 O ATOM 567 CB ALA A 42 -11.912 2.109 2.231 1.00 0.00 C ATOM 0 H ALA A 42 -11.531 2.923 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.432 3.610 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.796 1.709 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.733 2.826 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.130 1.294 1.540 1.00 0.00 H new ATOM 573 N GLU A 43 -8.592 2.045 2.868 1.00 0.00 N ATOM 574 CA GLU A 43 -7.404 1.223 3.029 1.00 0.00 C ATOM 575 C GLU A 43 -7.740 -0.249 2.783 1.00 0.00 C ATOM 576 O GLU A 43 -6.919 -0.997 2.254 1.00 0.00 O ATOM 577 CB GLU A 43 -6.785 1.421 4.414 1.00 0.00 C ATOM 578 CG GLU A 43 -5.546 0.541 4.591 1.00 0.00 C ATOM 579 CD GLU A 43 -5.671 -0.339 5.836 1.00 0.00 C ATOM 580 OE1 GLU A 43 -6.202 0.176 6.844 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.233 -1.506 5.753 1.00 0.00 O ATOM 0 H GLU A 43 -8.728 2.746 3.597 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.666 1.535 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.514 2.468 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.520 1.180 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.413 -0.087 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.659 1.169 4.673 1.00 0.00 H new ATOM 588 N ASP A 44 -8.948 -0.622 3.180 1.00 0.00 N ATOM 589 CA ASP A 44 -9.402 -1.992 3.009 1.00 0.00 C ATOM 590 C ASP A 44 -9.451 -2.326 1.517 1.00 0.00 C ATOM 591 O ASP A 44 -8.857 -3.309 1.078 1.00 0.00 O ATOM 592 CB ASP A 44 -10.808 -2.181 3.583 1.00 0.00 C ATOM 593 CG ASP A 44 -10.889 -2.175 5.111 1.00 0.00 C ATOM 594 OD1 ASP A 44 -9.833 -2.412 5.736 1.00 0.00 O ATOM 595 OD2 ASP A 44 -12.005 -1.935 5.619 1.00 0.00 O ATOM 0 H ASP A 44 -9.626 0.000 3.619 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.707 -2.646 3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.451 -1.390 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.210 -3.126 3.217 1.00 0.00 H new ATOM 600 N VAL A 45 -10.166 -1.489 0.779 1.00 0.00 N ATOM 601 CA VAL A 45 -10.300 -1.684 -0.655 1.00 0.00 C ATOM 602 C VAL A 45 -8.930 -1.528 -1.317 1.00 0.00 C ATOM 603 O VAL A 45 -8.637 -2.194 -2.309 1.00 0.00 O ATOM 604 CB VAL A 45 -11.349 -0.722 -1.217 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.110 -0.460 -2.706 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.764 -1.249 -0.973 1.00 0.00 C ATOM 0 H VAL A 45 -10.658 -0.675 1.147 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.653 -2.692 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.250 0.227 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.869 0.227 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.122 -0.020 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.168 -1.400 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.490 -0.546 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.881 -2.217 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.931 -1.360 0.098 1.00 0.00 H new ATOM 616 N ALA A 46 -8.127 -0.645 -0.742 1.00 0.00 N ATOM 617 CA ALA A 46 -6.794 -0.394 -1.264 1.00 0.00 C ATOM 618 C ALA A 46 -6.002 -1.703 -1.278 1.00 0.00 C ATOM 619 O ALA A 46 -5.183 -1.927 -2.168 1.00 0.00 O ATOM 620 CB ALA A 46 -6.114 0.691 -0.427 1.00 0.00 C ATOM 0 H ALA A 46 -8.374 -0.094 0.080 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.845 -0.029 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.114 0.879 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.701 1.608 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.042 0.360 0.609 1.00 0.00 H new ATOM 626 N ARG A 47 -6.273 -2.532 -0.281 1.00 0.00 N ATOM 627 CA ARG A 47 -5.596 -3.813 -0.168 1.00 0.00 C ATOM 628 C ARG A 47 -6.299 -4.864 -1.028 1.00 0.00 C ATOM 629 O ARG A 47 -5.655 -5.762 -1.567 1.00 0.00 O ATOM 630 CB ARG A 47 -5.563 -4.292 1.285 1.00 0.00 C ATOM 631 CG ARG A 47 -4.127 -4.554 1.744 1.00 0.00 C ATOM 632 CD ARG A 47 -4.062 -4.737 3.262 1.00 0.00 C ATOM 633 NE ARG A 47 -2.959 -5.659 3.613 1.00 0.00 N ATOM 634 CZ ARG A 47 -2.753 -6.150 4.843 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.573 -5.809 5.846 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.726 -6.981 5.069 1.00 0.00 N ATOM 0 H ARG A 47 -6.952 -2.342 0.456 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.573 -3.678 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.023 -3.543 1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.152 -5.204 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.740 -5.445 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.489 -3.722 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.909 -3.773 3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.009 -5.132 3.630 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.315 -5.938 2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.354 -5.176 5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.416 -6.183 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.102 -7.240 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.569 -7.355 6.005 1.00 0.00 H new ATOM 650 N LYS A 48 -7.612 -4.716 -1.131 1.00 0.00 N ATOM 651 CA LYS A 48 -8.410 -5.642 -1.917 1.00 0.00 C ATOM 652 C LYS A 48 -8.040 -5.499 -3.395 1.00 0.00 C ATOM 653 O LYS A 48 -7.881 -6.496 -4.098 1.00 0.00 O ATOM 654 CB LYS A 48 -9.899 -5.439 -1.634 1.00 0.00 C ATOM 655 CG LYS A 48 -10.234 -5.786 -0.182 1.00 0.00 C ATOM 656 CD LYS A 48 -11.590 -6.487 -0.084 1.00 0.00 C ATOM 657 CE LYS A 48 -12.721 -5.471 0.085 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.915 -5.892 -0.683 1.00 0.00 N ATOM 0 H LYS A 48 -8.143 -3.969 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.192 -6.671 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.173 -4.404 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.489 -6.063 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.457 -6.430 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.246 -4.877 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.762 -7.082 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.587 -7.177 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.976 -5.374 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.390 -4.490 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.673 -5.191 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.672 -5.962 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.239 -6.819 -0.340 1.00 0.00 H new ATOM 672 N ALA A 49 -7.914 -4.251 -3.823 1.00 0.00 N ATOM 673 CA ALA A 49 -7.566 -3.966 -5.204 1.00 0.00 C ATOM 674 C ALA A 49 -6.130 -4.422 -5.469 1.00 0.00 C ATOM 675 O ALA A 49 -5.841 -5.001 -6.516 1.00 0.00 O ATOM 676 CB ALA A 49 -7.764 -2.474 -5.483 1.00 0.00 C ATOM 0 H ALA A 49 -8.047 -3.426 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.217 -4.515 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.503 -2.260 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.806 -2.206 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.124 -1.892 -4.820 1.00 0.00 H new ATOM 682 N LEU A 50 -5.267 -4.146 -4.502 1.00 0.00 N ATOM 683 CA LEU A 50 -3.868 -4.521 -4.618 1.00 0.00 C ATOM 684 C LEU A 50 -3.725 -6.024 -4.368 1.00 0.00 C ATOM 685 O LEU A 50 -2.664 -6.598 -4.605 1.00 0.00 O ATOM 686 CB LEU A 50 -3.004 -3.659 -3.695 1.00 0.00 C ATOM 687 CG LEU A 50 -3.027 -2.154 -3.967 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.569 -1.368 -2.737 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.202 -1.809 -5.208 1.00 0.00 C ATOM 0 H LEU A 50 -5.510 -3.667 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.505 -4.329 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.326 -3.827 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.973 -4.005 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.056 -1.859 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.595 -0.301 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.234 -1.582 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.552 -1.660 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.235 -0.733 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.169 -2.121 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.614 -2.327 -6.074 1.00 0.00 H new ATOM 701 N LYS A 51 -4.810 -6.618 -3.892 1.00 0.00 N ATOM 702 CA LYS A 51 -4.819 -8.043 -3.608 1.00 0.00 C ATOM 703 C LYS A 51 -5.065 -8.816 -4.905 1.00 0.00 C ATOM 704 O LYS A 51 -4.415 -9.828 -5.161 1.00 0.00 O ATOM 705 CB LYS A 51 -5.827 -8.362 -2.502 1.00 0.00 C ATOM 706 CG LYS A 51 -6.345 -9.796 -2.629 1.00 0.00 C ATOM 707 CD LYS A 51 -6.747 -10.357 -1.263 1.00 0.00 C ATOM 708 CE LYS A 51 -5.530 -10.907 -0.517 1.00 0.00 C ATOM 709 NZ LYS A 51 -5.769 -10.896 0.943 1.00 0.00 N ATOM 0 H LYS A 51 -5.689 -6.138 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.849 -8.361 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.358 -8.226 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.662 -7.664 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.202 -9.819 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.575 -10.427 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.219 -9.574 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.486 -11.148 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.321 -11.924 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.650 -10.308 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.933 -11.272 1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.946 -9.921 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.596 -11.487 1.164 1.00 0.00 H new ATOM 723 N ALA A 52 -6.004 -8.309 -5.690 1.00 0.00 N ATOM 724 CA ALA A 52 -6.343 -8.940 -6.954 1.00 0.00 C ATOM 725 C ALA A 52 -5.374 -8.458 -8.036 1.00 0.00 C ATOM 726 O ALA A 52 -4.956 -9.236 -8.891 1.00 0.00 O ATOM 727 CB ALA A 52 -7.802 -8.636 -7.301 1.00 0.00 C ATOM 0 H ALA A 52 -6.541 -7.469 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.244 -10.023 -6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.057 -9.109 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.451 -9.024 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.939 -7.558 -7.385 1.00 0.00 H new ATOM 733 N SER A 53 -5.045 -7.176 -7.962 1.00 0.00 N ATOM 734 CA SER A 53 -4.133 -6.581 -8.924 1.00 0.00 C ATOM 735 C SER A 53 -2.702 -7.044 -8.644 1.00 0.00 C ATOM 736 O SER A 53 -2.032 -7.571 -9.531 1.00 0.00 O ATOM 737 CB SER A 53 -4.214 -5.054 -8.887 1.00 0.00 C ATOM 738 OG SER A 53 -5.561 -4.590 -8.866 1.00 0.00 O ATOM 0 H SER A 53 -5.394 -6.533 -7.251 1.00 0.00 H new ATOM 0 HA SER A 53 -4.425 -6.909 -9.921 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.690 -4.685 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.703 -4.643 -9.757 1.00 0.00 H new ATOM 0 HG SER A 53 -5.994 -4.879 -8.036 1.00 0.00 H new ATOM 744 N GLY A 54 -2.277 -6.831 -7.408 1.00 0.00 N ATOM 745 CA GLY A 54 -0.937 -7.220 -7.000 1.00 0.00 C ATOM 746 C GLY A 54 0.038 -6.048 -7.131 1.00 0.00 C ATOM 747 O GLY A 54 0.870 -6.026 -8.036 1.00 0.00 O ATOM 0 H GLY A 54 -2.836 -6.394 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.954 -7.570 -5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.594 -8.053 -7.613 1.00 0.00 H new ATOM 751 N GLY A 55 -0.098 -5.102 -6.213 1.00 0.00 N ATOM 752 CA GLY A 55 0.761 -3.929 -6.215 1.00 0.00 C ATOM 753 C GLY A 55 0.328 -2.935 -7.294 1.00 0.00 C ATOM 754 O GLY A 55 0.085 -1.764 -7.003 1.00 0.00 O ATOM 0 H GLY A 55 -0.789 -5.124 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.728 -3.448 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.794 -4.231 -6.387 1.00 0.00 H new ATOM 758 N ASP A 56 0.246 -3.436 -8.517 1.00 0.00 N ATOM 759 CA ASP A 56 -0.153 -2.606 -9.641 1.00 0.00 C ATOM 760 C ASP A 56 -1.290 -1.679 -9.207 1.00 0.00 C ATOM 761 O ASP A 56 -2.402 -2.135 -8.946 1.00 0.00 O ATOM 762 CB ASP A 56 -0.658 -3.461 -10.805 1.00 0.00 C ATOM 763 CG ASP A 56 0.394 -4.369 -11.446 1.00 0.00 C ATOM 764 OD1 ASP A 56 0.672 -5.428 -10.843 1.00 0.00 O ATOM 765 OD2 ASP A 56 0.896 -3.983 -12.523 1.00 0.00 O ATOM 0 H ASP A 56 0.449 -4.407 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 56 0.717 -2.035 -9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.482 -4.080 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.062 -2.801 -11.572 1.00 0.00 H new ATOM 770 N ILE A 57 -0.971 -0.395 -9.143 1.00 0.00 N ATOM 771 CA ILE A 57 -1.952 0.600 -8.745 1.00 0.00 C ATOM 772 C ILE A 57 -2.984 0.769 -9.862 1.00 0.00 C ATOM 773 O ILE A 57 -4.184 0.632 -9.630 1.00 0.00 O ATOM 774 CB ILE A 57 -1.260 1.905 -8.345 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.338 1.690 -7.142 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.284 3.014 -8.091 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.139 1.283 -5.904 1.00 0.00 C ATOM 0 H ILE A 57 -0.047 -0.021 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.493 0.268 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.635 2.229 -9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.396 0.918 -7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.217 2.605 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.766 3.930 -7.808 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.863 3.189 -8.998 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.954 2.713 -7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.460 1.136 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.855 2.068 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.673 0.354 -6.105 1.00 0.00 H new ATOM 789 N GLU A 58 -2.478 1.064 -11.051 1.00 0.00 N ATOM 790 CA GLU A 58 -3.341 1.253 -12.205 1.00 0.00 C ATOM 791 C GLU A 58 -4.406 0.156 -12.257 1.00 0.00 C ATOM 792 O GLU A 58 -5.543 0.408 -12.652 1.00 0.00 O ATOM 793 CB GLU A 58 -2.525 1.288 -13.499 1.00 0.00 C ATOM 794 CG GLU A 58 -1.948 2.683 -13.746 1.00 0.00 C ATOM 795 CD GLU A 58 -2.295 3.180 -15.151 1.00 0.00 C ATOM 796 OE1 GLU A 58 -3.426 2.885 -15.593 1.00 0.00 O ATOM 797 OE2 GLU A 58 -1.421 3.842 -15.751 1.00 0.00 O ATOM 0 H GLU A 58 -1.482 1.177 -11.240 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.844 2.215 -12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.715 0.561 -13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.156 0.998 -14.339 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.339 3.379 -13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.865 2.660 -13.622 1.00 0.00 H new ATOM 804 N LYS A 59 -3.999 -1.039 -11.853 1.00 0.00 N ATOM 805 CA LYS A 59 -4.904 -2.175 -11.849 1.00 0.00 C ATOM 806 C LYS A 59 -5.802 -2.102 -10.612 1.00 0.00 C ATOM 807 O LYS A 59 -6.991 -2.409 -10.686 1.00 0.00 O ATOM 808 CB LYS A 59 -4.120 -3.485 -11.962 1.00 0.00 C ATOM 809 CG LYS A 59 -3.838 -3.829 -13.426 1.00 0.00 C ATOM 810 CD LYS A 59 -2.765 -4.914 -13.537 1.00 0.00 C ATOM 811 CE LYS A 59 -3.213 -6.036 -14.475 1.00 0.00 C ATOM 812 NZ LYS A 59 -2.065 -6.894 -14.843 1.00 0.00 N ATOM 0 H LYS A 59 -3.055 -1.244 -11.526 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.557 -2.144 -12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.180 -3.399 -11.417 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.685 -4.293 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.755 -4.169 -13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.512 -2.935 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.837 -4.476 -13.905 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.554 -5.324 -12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.983 -6.637 -13.991 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.659 -5.610 -15.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.387 -7.650 -15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.343 -6.320 -15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.657 -7.315 -13.984 1.00 0.00 H new ATOM 826 N ALA A 60 -5.200 -1.693 -9.506 1.00 0.00 N ATOM 827 CA ALA A 60 -5.930 -1.575 -8.255 1.00 0.00 C ATOM 828 C ALA A 60 -7.003 -0.493 -8.396 1.00 0.00 C ATOM 829 O ALA A 60 -8.149 -0.695 -8.000 1.00 0.00 O ATOM 830 CB ALA A 60 -4.951 -1.281 -7.117 1.00 0.00 C ATOM 0 H ALA A 60 -4.214 -1.439 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.435 -2.511 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.499 -1.193 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.228 -2.093 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.427 -0.347 -7.320 1.00 0.00 H new ATOM 836 N THR A 61 -6.592 0.632 -8.962 1.00 0.00 N ATOM 837 CA THR A 61 -7.503 1.747 -9.160 1.00 0.00 C ATOM 838 C THR A 61 -8.712 1.306 -9.987 1.00 0.00 C ATOM 839 O THR A 61 -9.812 1.830 -9.814 1.00 0.00 O ATOM 840 CB THR A 61 -6.716 2.893 -9.799 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.671 3.158 -8.867 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.514 4.197 -9.844 1.00 0.00 C ATOM 0 H THR A 61 -5.640 0.796 -9.290 1.00 0.00 H new ATOM 0 HA THR A 61 -7.908 2.101 -8.212 1.00 0.00 H new ATOM 0 HB THR A 61 -6.422 2.612 -10.810 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.110 3.888 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.910 4.977 -10.307 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.423 4.048 -10.427 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.779 4.497 -8.830 1.00 0.00 H new ATOM 850 N ASP A 62 -8.469 0.346 -10.868 1.00 0.00 N ATOM 851 CA ASP A 62 -9.525 -0.171 -11.721 1.00 0.00 C ATOM 852 C ASP A 62 -10.332 -1.218 -10.950 1.00 0.00 C ATOM 853 O ASP A 62 -11.561 -1.181 -10.948 1.00 0.00 O ATOM 854 CB ASP A 62 -8.946 -0.844 -12.967 1.00 0.00 C ATOM 855 CG ASP A 62 -9.970 -1.195 -14.048 1.00 0.00 C ATOM 856 OD1 ASP A 62 -11.173 -0.988 -13.778 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.527 -1.661 -15.120 1.00 0.00 O ATOM 0 H ASP A 62 -7.556 -0.087 -11.009 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.155 0.666 -12.022 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.194 -0.185 -13.401 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.433 -1.757 -12.663 1.00 0.00 H new ATOM 862 N TRP A 63 -9.607 -2.126 -10.314 1.00 0.00 N ATOM 863 CA TRP A 63 -10.240 -3.181 -9.541 1.00 0.00 C ATOM 864 C TRP A 63 -11.372 -2.555 -8.725 1.00 0.00 C ATOM 865 O TRP A 63 -12.488 -3.072 -8.705 1.00 0.00 O ATOM 866 CB TRP A 63 -9.215 -3.917 -8.676 1.00 0.00 C ATOM 867 CG TRP A 63 -9.775 -5.146 -7.957 1.00 0.00 C ATOM 868 CD1 TRP A 63 -9.774 -6.419 -8.376 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.423 -5.167 -6.667 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.371 -7.255 -7.454 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.778 -6.469 -6.382 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.699 -4.119 -5.771 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.430 -6.846 -5.202 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.351 -4.512 -4.596 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.715 -5.819 -4.294 1.00 0.00 C ATOM 0 H TRP A 63 -8.587 -2.153 -10.318 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.664 -3.940 -10.199 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.380 -4.226 -9.304 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.817 -3.225 -7.934 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.358 -6.749 -9.317 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.491 -8.264 -7.543 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.430 -3.093 -5.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.699 -7.873 -5.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.588 -3.745 -3.873 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.215 -6.041 -3.363 1.00 0.00 H new ATOM 886 N VAL A 64 -11.046 -1.450 -8.070 1.00 0.00 N ATOM 887 CA VAL A 64 -12.021 -0.748 -7.254 1.00 0.00 C ATOM 888 C VAL A 64 -13.312 -0.565 -8.055 1.00 0.00 C ATOM 889 O VAL A 64 -14.398 -0.873 -7.567 1.00 0.00 O ATOM 890 CB VAL A 64 -11.433 0.574 -6.757 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.456 1.351 -5.925 1.00 0.00 C ATOM 892 CG2 VAL A 64 -10.147 0.338 -5.963 1.00 0.00 C ATOM 0 H VAL A 64 -10.119 -1.024 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.268 -1.332 -6.367 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.182 1.178 -7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.013 2.287 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.333 1.566 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.752 0.754 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.750 1.294 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.362 -0.294 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.411 -0.154 -6.600 1.00 0.00 H new ATOM 902 N PHE A 65 -13.151 -0.063 -9.271 1.00 0.00 N ATOM 903 CA PHE A 65 -14.290 0.165 -10.143 1.00 0.00 C ATOM 904 C PHE A 65 -14.824 -1.155 -10.703 1.00 0.00 C ATOM 905 O PHE A 65 -16.011 -1.452 -10.576 1.00 0.00 O ATOM 906 CB PHE A 65 -13.798 1.035 -11.302 1.00 0.00 C ATOM 907 CG PHE A 65 -12.796 2.114 -10.888 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.836 2.634 -9.631 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.865 2.555 -11.776 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.906 3.635 -9.247 1.00 0.00 C ATOM 911 CE2 PHE A 65 -10.935 3.557 -11.392 1.00 0.00 C ATOM 912 CZ PHE A 65 -10.975 4.076 -10.135 1.00 0.00 C ATOM 0 H PHE A 65 -12.249 0.192 -9.672 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.095 0.645 -9.587 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.337 0.394 -12.053 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.656 1.513 -11.774 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.576 2.285 -8.926 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.833 2.143 -12.774 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.938 4.047 -8.249 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.196 3.907 -12.098 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.268 4.838 -9.842 1.00 0.00 H new