USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 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 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -57:sc= -5.93! USER MOD Single : A 35 THR OG1 : rot 93:sc= 0.731 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 -117:sc= -0.806 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0315) USER MOD Single : A 61 THR OG1 : rot 78:sc= 0.502 USER MOD ----------------------------------------------------------------- ATOM 355 N ILE A 28 0.869 -7.407 -0.428 1.00 0.00 N ATOM 356 CA ILE A 28 0.331 -6.107 -0.790 1.00 0.00 C ATOM 357 C ILE A 28 1.205 -5.010 -0.179 1.00 0.00 C ATOM 358 O ILE A 28 1.119 -4.737 1.017 1.00 0.00 O ATOM 359 CB ILE A 28 -1.144 -6.008 -0.396 1.00 0.00 C ATOM 360 CG1 ILE A 28 -2.001 -6.953 -1.241 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.637 -4.562 -0.474 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.992 -7.723 -0.366 1.00 0.00 C ATOM 0 HA ILE A 28 0.358 -5.972 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.243 -6.325 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.543 -6.382 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.359 -7.655 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.688 -4.520 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.052 -3.941 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.522 -4.193 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.589 -8.387 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.446 -8.311 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.648 -7.019 0.146 1.00 0.00 H new ATOM 374 N ASP A 29 2.027 -4.411 -1.028 1.00 0.00 N ATOM 375 CA ASP A 29 2.917 -3.350 -0.586 1.00 0.00 C ATOM 376 C ASP A 29 2.160 -2.419 0.363 1.00 0.00 C ATOM 377 O ASP A 29 0.948 -2.252 0.240 1.00 0.00 O ATOM 378 CB ASP A 29 3.412 -2.517 -1.771 1.00 0.00 C ATOM 379 CG ASP A 29 3.818 -3.326 -3.004 1.00 0.00 C ATOM 380 OD1 ASP A 29 4.215 -4.495 -2.811 1.00 0.00 O ATOM 381 OD2 ASP A 29 3.724 -2.756 -4.113 1.00 0.00 O ATOM 0 H ASP A 29 2.096 -4.640 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 29 3.770 -3.810 -0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.627 -1.817 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.267 -1.923 -1.447 1.00 0.00 H new ATOM 386 N GLN A 30 2.908 -1.836 1.290 1.00 0.00 N ATOM 387 CA GLN A 30 2.323 -0.926 2.260 1.00 0.00 C ATOM 388 C GLN A 30 2.166 0.469 1.651 1.00 0.00 C ATOM 389 O GLN A 30 1.200 1.172 1.943 1.00 0.00 O ATOM 390 CB GLN A 30 3.161 -0.876 3.539 1.00 0.00 C ATOM 391 CG GLN A 30 2.423 -0.125 4.649 1.00 0.00 C ATOM 392 CD GLN A 30 1.541 -1.075 5.461 1.00 0.00 C ATOM 393 OE1 GLN A 30 1.996 -1.778 6.349 1.00 0.00 O ATOM 394 NE2 GLN A 30 0.259 -1.058 5.109 1.00 0.00 N ATOM 0 H GLN A 30 3.913 -1.977 1.389 1.00 0.00 H new ATOM 0 HA GLN A 30 1.334 -1.297 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.388 -1.890 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.113 -0.387 3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.144 0.359 5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.809 0.664 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.055 -0.445 4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.410 -1.658 5.591 1.00 0.00 H new ATOM 403 N SER A 31 3.131 0.828 0.817 1.00 0.00 N ATOM 404 CA SER A 31 3.112 2.126 0.165 1.00 0.00 C ATOM 405 C SER A 31 1.949 2.197 -0.826 1.00 0.00 C ATOM 406 O SER A 31 1.337 3.251 -0.997 1.00 0.00 O ATOM 407 CB SER A 31 4.436 2.403 -0.550 1.00 0.00 C ATOM 408 OG SER A 31 5.011 3.643 -0.148 1.00 0.00 O ATOM 0 H SER A 31 3.931 0.242 0.578 1.00 0.00 H new ATOM 0 HA SER A 31 2.976 2.891 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.136 1.594 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.271 2.412 -1.627 1.00 0.00 H new ATOM 0 HG SER A 31 5.855 3.782 -0.626 1.00 0.00 H new ATOM 414 N SER A 32 1.678 1.062 -1.454 1.00 0.00 N ATOM 415 CA SER A 32 0.599 0.982 -2.423 1.00 0.00 C ATOM 416 C SER A 32 -0.746 1.216 -1.731 1.00 0.00 C ATOM 417 O SER A 32 -1.543 2.040 -2.177 1.00 0.00 O ATOM 418 CB SER A 32 0.599 -0.371 -3.138 1.00 0.00 C ATOM 419 OG SER A 32 0.089 -1.412 -2.309 1.00 0.00 O ATOM 0 H SER A 32 2.188 0.190 -1.310 1.00 0.00 H new ATOM 0 HA SER A 32 0.755 1.759 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.002 -0.302 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.615 -0.618 -3.447 1.00 0.00 H new ATOM 0 HG SER A 32 0.619 -1.464 -1.486 1.00 0.00 H new ATOM 425 N VAL A 33 -0.956 0.477 -0.651 1.00 0.00 N ATOM 426 CA VAL A 33 -2.190 0.594 0.107 1.00 0.00 C ATOM 427 C VAL A 33 -2.441 2.066 0.441 1.00 0.00 C ATOM 428 O VAL A 33 -3.585 2.517 0.454 1.00 0.00 O ATOM 429 CB VAL A 33 -2.127 -0.298 1.349 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.412 -0.183 2.172 1.00 0.00 C ATOM 431 CG2 VAL A 33 -1.850 -1.753 0.965 1.00 0.00 C ATOM 0 H VAL A 33 -0.292 -0.205 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.036 0.246 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.300 0.048 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.341 -0.827 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.549 0.850 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.262 -0.491 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.810 -2.366 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.646 -2.115 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.896 -1.816 0.441 1.00 0.00 H new ATOM 441 N ASP A 34 -1.352 2.775 0.701 1.00 0.00 N ATOM 442 CA ASP A 34 -1.440 4.186 1.034 1.00 0.00 C ATOM 443 C ASP A 34 -1.598 5.000 -0.252 1.00 0.00 C ATOM 444 O ASP A 34 -2.277 6.025 -0.263 1.00 0.00 O ATOM 445 CB ASP A 34 -0.172 4.665 1.743 1.00 0.00 C ATOM 446 CG ASP A 34 -0.320 5.976 2.519 1.00 0.00 C ATOM 447 OD1 ASP A 34 -1.137 6.810 2.072 1.00 0.00 O ATOM 448 OD2 ASP A 34 0.386 6.113 3.541 1.00 0.00 O ATOM 0 H ASP A 34 -0.404 2.398 0.688 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.296 4.324 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.156 3.887 2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.617 4.787 1.001 1.00 0.00 H new ATOM 453 N THR A 35 -0.959 4.512 -1.305 1.00 0.00 N ATOM 454 CA THR A 35 -1.020 5.181 -2.594 1.00 0.00 C ATOM 455 C THR A 35 -2.471 5.304 -3.063 1.00 0.00 C ATOM 456 O THR A 35 -2.806 6.207 -3.828 1.00 0.00 O ATOM 457 CB THR A 35 -0.128 4.411 -3.569 1.00 0.00 C ATOM 458 OG1 THR A 35 1.179 4.534 -3.017 1.00 0.00 O ATOM 459 CG2 THR A 35 -0.023 5.096 -4.933 1.00 0.00 C ATOM 0 H THR A 35 -0.396 3.661 -1.292 1.00 0.00 H new ATOM 0 HA THR A 35 -0.646 6.203 -2.528 1.00 0.00 H new ATOM 0 HB THR A 35 -0.520 3.402 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.363 3.766 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.621 4.508 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.015 5.176 -5.378 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.400 6.093 -4.808 1.00 0.00 H new ATOM 467 N LEU A 36 -3.293 4.381 -2.585 1.00 0.00 N ATOM 468 CA LEU A 36 -4.701 4.375 -2.946 1.00 0.00 C ATOM 469 C LEU A 36 -5.505 5.092 -1.860 1.00 0.00 C ATOM 470 O LEU A 36 -6.656 5.467 -2.080 1.00 0.00 O ATOM 471 CB LEU A 36 -5.176 2.947 -3.221 1.00 0.00 C ATOM 472 CG LEU A 36 -4.558 2.256 -4.438 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.100 0.838 -4.090 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.522 2.272 -5.626 1.00 0.00 C ATOM 0 H LEU A 36 -3.011 3.633 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.859 4.924 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.968 2.340 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.258 2.964 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.672 2.816 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.665 0.369 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.354 0.881 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.955 0.252 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.058 1.775 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.440 1.750 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.756 3.303 -5.891 1.00 0.00 H new ATOM 486 N LEU A 37 -4.867 5.262 -0.711 1.00 0.00 N ATOM 487 CA LEU A 37 -5.509 5.928 0.410 1.00 0.00 C ATOM 488 C LEU A 37 -5.740 7.399 0.059 1.00 0.00 C ATOM 489 O LEU A 37 -6.805 7.947 0.337 1.00 0.00 O ATOM 490 CB LEU A 37 -4.699 5.721 1.691 1.00 0.00 C ATOM 491 CG LEU A 37 -4.984 4.432 2.464 1.00 0.00 C ATOM 492 CD1 LEU A 37 -3.884 4.154 3.490 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.371 4.475 3.108 1.00 0.00 C ATOM 0 H LEU A 37 -3.912 4.950 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.487 5.489 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.640 5.741 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.882 6.567 2.354 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.983 3.602 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.111 3.232 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.927 4.050 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.829 4.981 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.549 3.547 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.425 5.316 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.128 4.593 2.333 1.00 0.00 H new ATOM 505 N SER A 38 -4.724 7.996 -0.547 1.00 0.00 N ATOM 506 CA SER A 38 -4.803 9.393 -0.939 1.00 0.00 C ATOM 507 C SER A 38 -5.745 9.549 -2.135 1.00 0.00 C ATOM 508 O SER A 38 -6.629 10.405 -2.126 1.00 0.00 O ATOM 509 CB SER A 38 -3.419 9.949 -1.279 1.00 0.00 C ATOM 510 OG SER A 38 -3.156 11.175 -0.602 1.00 0.00 O ATOM 0 H SER A 38 -3.842 7.538 -0.776 1.00 0.00 H new ATOM 0 HA SER A 38 -5.197 9.962 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.658 9.216 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.346 10.106 -2.355 1.00 0.00 H new ATOM 0 HG SER A 38 -2.263 11.497 -0.844 1.00 0.00 H new ATOM 516 N PHE A 39 -5.525 8.708 -3.135 1.00 0.00 N ATOM 517 CA PHE A 39 -6.343 8.742 -4.335 1.00 0.00 C ATOM 518 C PHE A 39 -7.812 8.997 -3.990 1.00 0.00 C ATOM 519 O PHE A 39 -8.424 9.925 -4.517 1.00 0.00 O ATOM 520 CB PHE A 39 -6.218 7.370 -5.000 1.00 0.00 C ATOM 521 CG PHE A 39 -5.087 7.275 -6.025 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.830 7.671 -5.689 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.338 6.795 -7.273 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.780 7.583 -6.641 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.288 6.707 -8.224 1.00 0.00 C ATOM 526 CZ PHE A 39 -3.030 7.103 -7.888 1.00 0.00 C ATOM 0 H PHE A 39 -4.792 7.999 -3.139 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.007 9.545 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.059 6.617 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.161 7.129 -5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.630 8.052 -4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.336 6.481 -7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.782 7.898 -6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.487 6.326 -9.215 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.231 7.036 -8.612 1.00 0.00 H new ATOM 536 N GLY A 40 -8.334 8.158 -3.108 1.00 0.00 N ATOM 537 CA GLY A 40 -9.719 8.281 -2.687 1.00 0.00 C ATOM 538 C GLY A 40 -10.373 6.906 -2.544 1.00 0.00 C ATOM 539 O GLY A 40 -11.398 6.634 -3.168 1.00 0.00 O ATOM 0 H GLY A 40 -7.823 7.390 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.768 8.811 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.272 8.877 -3.413 1.00 0.00 H new ATOM 543 N PHE A 41 -9.753 6.074 -1.720 1.00 0.00 N ATOM 544 CA PHE A 41 -10.262 4.733 -1.488 1.00 0.00 C ATOM 545 C PHE A 41 -10.024 4.299 -0.040 1.00 0.00 C ATOM 546 O PHE A 41 -9.139 4.827 0.633 1.00 0.00 O ATOM 547 CB PHE A 41 -9.495 3.795 -2.422 1.00 0.00 C ATOM 548 CG PHE A 41 -9.485 4.245 -3.884 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.650 4.316 -4.582 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.310 4.574 -4.486 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.640 4.734 -5.939 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.301 4.991 -5.843 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.466 5.062 -6.541 1.00 0.00 C ATOM 0 H PHE A 41 -8.903 6.303 -1.205 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.335 4.705 -1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.466 3.711 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.935 2.799 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.583 4.055 -4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.385 4.518 -3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.565 4.791 -6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.369 5.252 -6.321 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.459 5.379 -7.573 1.00 0.00 H new ATOM 563 N ALA A 42 -10.828 3.341 0.398 1.00 0.00 N ATOM 564 CA ALA A 42 -10.716 2.830 1.753 1.00 0.00 C ATOM 565 C ALA A 42 -9.449 1.980 1.869 1.00 0.00 C ATOM 566 O ALA A 42 -9.030 1.349 0.900 1.00 0.00 O ATOM 567 CB ALA A 42 -11.980 2.046 2.110 1.00 0.00 C ATOM 0 H ALA A 42 -11.560 2.905 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.630 3.649 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.895 1.663 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.847 2.703 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.099 1.213 1.417 1.00 0.00 H new ATOM 573 N GLU A 43 -8.876 1.990 3.064 1.00 0.00 N ATOM 574 CA GLU A 43 -7.666 1.227 3.319 1.00 0.00 C ATOM 575 C GLU A 43 -7.898 -0.254 3.015 1.00 0.00 C ATOM 576 O GLU A 43 -6.955 -0.985 2.717 1.00 0.00 O ATOM 577 CB GLU A 43 -7.189 1.423 4.760 1.00 0.00 C ATOM 578 CG GLU A 43 -5.670 1.265 4.860 1.00 0.00 C ATOM 579 CD GLU A 43 -5.295 0.243 5.935 1.00 0.00 C ATOM 580 OE1 GLU A 43 -5.230 -0.955 5.582 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.082 0.682 7.086 1.00 0.00 O ATOM 0 H GLU A 43 -9.227 2.514 3.866 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.881 1.594 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.479 2.413 5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.677 0.698 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.269 0.949 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.215 2.228 5.094 1.00 0.00 H new ATOM 588 N ASP A 44 -9.159 -0.653 3.100 1.00 0.00 N ATOM 589 CA ASP A 44 -9.526 -2.033 2.837 1.00 0.00 C ATOM 590 C ASP A 44 -9.514 -2.281 1.327 1.00 0.00 C ATOM 591 O ASP A 44 -8.851 -3.201 0.851 1.00 0.00 O ATOM 592 CB ASP A 44 -10.934 -2.337 3.355 1.00 0.00 C ATOM 593 CG ASP A 44 -11.032 -2.568 4.864 1.00 0.00 C ATOM 594 OD1 ASP A 44 -9.964 -2.787 5.475 1.00 0.00 O ATOM 595 OD2 ASP A 44 -12.173 -2.520 5.372 1.00 0.00 O ATOM 0 H ASP A 44 -9.939 -0.044 3.347 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.808 -2.676 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.590 -1.509 3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.310 -3.222 2.842 1.00 0.00 H new ATOM 600 N VAL A 45 -10.256 -1.445 0.616 1.00 0.00 N ATOM 601 CA VAL A 45 -10.339 -1.562 -0.830 1.00 0.00 C ATOM 602 C VAL A 45 -8.932 -1.481 -1.425 1.00 0.00 C ATOM 603 O VAL A 45 -8.619 -2.182 -2.386 1.00 0.00 O ATOM 604 CB VAL A 45 -11.286 -0.497 -1.387 1.00 0.00 C ATOM 605 CG1 VAL A 45 -10.946 -0.168 -2.842 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.745 -0.937 -1.251 1.00 0.00 C ATOM 0 H VAL A 45 -10.805 -0.684 1.014 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.756 -2.529 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.153 0.411 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.634 0.591 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.924 0.208 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.037 -1.068 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.398 -0.163 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.898 -1.864 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.980 -1.098 -0.199 1.00 0.00 H new ATOM 616 N ALA A 46 -8.121 -0.619 -0.830 1.00 0.00 N ATOM 617 CA ALA A 46 -6.754 -0.437 -1.289 1.00 0.00 C ATOM 618 C ALA A 46 -6.015 -1.774 -1.219 1.00 0.00 C ATOM 619 O ALA A 46 -5.175 -2.069 -2.068 1.00 0.00 O ATOM 620 CB ALA A 46 -6.075 0.650 -0.453 1.00 0.00 C ATOM 0 H ALA A 46 -8.384 -0.039 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.739 -0.106 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.050 0.787 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.622 1.587 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.069 0.352 0.595 1.00 0.00 H new ATOM 626 N ARG A 47 -6.354 -2.549 -0.198 1.00 0.00 N ATOM 627 CA ARG A 47 -5.733 -3.848 -0.006 1.00 0.00 C ATOM 628 C ARG A 47 -6.431 -4.903 -0.867 1.00 0.00 C ATOM 629 O ARG A 47 -5.833 -5.918 -1.218 1.00 0.00 O ATOM 630 CB ARG A 47 -5.793 -4.275 1.462 1.00 0.00 C ATOM 631 CG ARG A 47 -4.602 -3.717 2.244 1.00 0.00 C ATOM 632 CD ARG A 47 -4.827 -3.850 3.752 1.00 0.00 C ATOM 633 NE ARG A 47 -3.575 -4.278 4.415 1.00 0.00 N ATOM 634 CZ ARG A 47 -3.032 -5.496 4.280 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.628 -6.413 3.506 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.894 -5.796 4.919 1.00 0.00 N ATOM 0 H ARG A 47 -7.051 -2.301 0.505 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.688 -3.764 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.723 -3.924 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.799 -5.363 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.694 -4.249 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.452 -2.669 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.159 -2.897 4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.618 -4.574 3.948 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.095 -3.604 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.495 -6.184 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.215 -7.340 3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.441 -5.098 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.481 -6.723 4.816 1.00 0.00 H new ATOM 650 N LYS A 48 -7.688 -4.626 -1.181 1.00 0.00 N ATOM 651 CA LYS A 48 -8.475 -5.538 -1.994 1.00 0.00 C ATOM 652 C LYS A 48 -8.063 -5.393 -3.460 1.00 0.00 C ATOM 653 O LYS A 48 -7.947 -6.385 -4.177 1.00 0.00 O ATOM 654 CB LYS A 48 -9.969 -5.320 -1.750 1.00 0.00 C ATOM 655 CG LYS A 48 -10.340 -5.639 -0.300 1.00 0.00 C ATOM 656 CD LYS A 48 -11.721 -6.294 -0.219 1.00 0.00 C ATOM 657 CE LYS A 48 -12.824 -5.238 -0.130 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.331 -5.133 1.256 1.00 0.00 N ATOM 0 H LYS A 48 -8.181 -3.783 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.277 -6.571 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.231 -4.287 -1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.547 -5.951 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.592 -6.304 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.333 -4.723 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.882 -6.920 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.767 -6.947 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.438 -4.272 -0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.641 -5.499 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.079 -4.412 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.718 -6.051 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.553 -4.862 1.891 1.00 0.00 H new ATOM 672 N ALA A 49 -7.854 -4.147 -3.862 1.00 0.00 N ATOM 673 CA ALA A 49 -7.458 -3.859 -5.230 1.00 0.00 C ATOM 674 C ALA A 49 -6.024 -4.342 -5.454 1.00 0.00 C ATOM 675 O ALA A 49 -5.708 -4.892 -6.507 1.00 0.00 O ATOM 676 CB ALA A 49 -7.619 -2.362 -5.503 1.00 0.00 C ATOM 0 H ALA A 49 -7.952 -3.326 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.098 -4.390 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.322 -2.145 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.661 -2.076 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.989 -1.797 -4.816 1.00 0.00 H new ATOM 682 N LEU A 50 -5.194 -4.119 -4.445 1.00 0.00 N ATOM 683 CA LEU A 50 -3.801 -4.524 -4.518 1.00 0.00 C ATOM 684 C LEU A 50 -3.690 -6.016 -4.194 1.00 0.00 C ATOM 685 O LEU A 50 -2.594 -6.573 -4.186 1.00 0.00 O ATOM 686 CB LEU A 50 -2.936 -3.635 -3.623 1.00 0.00 C ATOM 687 CG LEU A 50 -2.932 -2.143 -3.963 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.499 -1.307 -2.757 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.069 -1.863 -5.195 1.00 0.00 C ATOM 0 H LEU A 50 -5.460 -3.663 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.418 -4.387 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.274 -3.752 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.910 -4.000 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.951 -1.847 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.505 -0.251 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.190 -1.475 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.493 -1.599 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.084 -0.795 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.044 -2.179 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.463 -2.414 -6.049 1.00 0.00 H new ATOM 701 N LYS A 51 -4.841 -6.619 -3.934 1.00 0.00 N ATOM 702 CA LYS A 51 -4.888 -8.034 -3.610 1.00 0.00 C ATOM 703 C LYS A 51 -5.140 -8.838 -4.888 1.00 0.00 C ATOM 704 O LYS A 51 -4.538 -9.890 -5.092 1.00 0.00 O ATOM 705 CB LYS A 51 -5.913 -8.298 -2.505 1.00 0.00 C ATOM 706 CG LYS A 51 -6.489 -9.711 -2.618 1.00 0.00 C ATOM 707 CD LYS A 51 -7.046 -10.184 -1.273 1.00 0.00 C ATOM 708 CE LYS A 51 -5.950 -10.826 -0.421 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.166 -10.527 1.012 1.00 0.00 N ATOM 0 H LYS A 51 -5.748 -6.153 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.930 -8.364 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.443 -8.170 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.719 -7.567 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.279 -9.727 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.713 -10.398 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.480 -9.339 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.849 -10.902 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.945 -11.905 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.974 -10.454 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.413 -10.970 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.148 -9.498 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.089 -10.903 1.310 1.00 0.00 H new ATOM 723 N ALA A 52 -6.032 -8.310 -5.713 1.00 0.00 N ATOM 724 CA ALA A 52 -6.372 -8.965 -6.965 1.00 0.00 C ATOM 725 C ALA A 52 -5.443 -8.457 -8.070 1.00 0.00 C ATOM 726 O ALA A 52 -5.011 -9.227 -8.926 1.00 0.00 O ATOM 727 CB ALA A 52 -7.848 -8.721 -7.285 1.00 0.00 C ATOM 0 H ALA A 52 -6.529 -7.437 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.230 -10.043 -6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.103 -9.212 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.466 -9.127 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.028 -7.650 -7.375 1.00 0.00 H new ATOM 733 N SER A 53 -5.165 -7.162 -8.016 1.00 0.00 N ATOM 734 CA SER A 53 -4.296 -6.542 -9.001 1.00 0.00 C ATOM 735 C SER A 53 -2.866 -7.060 -8.839 1.00 0.00 C ATOM 736 O SER A 53 -2.217 -7.420 -9.820 1.00 0.00 O ATOM 737 CB SER A 53 -4.325 -5.017 -8.878 1.00 0.00 C ATOM 738 OG SER A 53 -3.613 -4.560 -7.732 1.00 0.00 O ATOM 0 H SER A 53 -5.526 -6.526 -7.305 1.00 0.00 H new ATOM 0 HA SER A 53 -4.661 -6.807 -9.993 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.892 -4.573 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.359 -4.678 -8.821 1.00 0.00 H new ATOM 0 HG SER A 53 -4.232 -4.111 -7.120 1.00 0.00 H new ATOM 744 N GLY A 54 -2.417 -7.083 -7.592 1.00 0.00 N ATOM 745 CA GLY A 54 -1.075 -7.552 -7.289 1.00 0.00 C ATOM 746 C GLY A 54 -0.050 -6.430 -7.463 1.00 0.00 C ATOM 747 O GLY A 54 0.481 -6.233 -8.555 1.00 0.00 O ATOM 0 H GLY A 54 -2.958 -6.785 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.039 -7.927 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.821 -8.386 -7.943 1.00 0.00 H new ATOM 751 N GLY A 55 0.198 -5.723 -6.370 1.00 0.00 N ATOM 752 CA GLY A 55 1.151 -4.626 -6.388 1.00 0.00 C ATOM 753 C GLY A 55 1.052 -3.835 -7.694 1.00 0.00 C ATOM 754 O GLY A 55 2.069 -3.468 -8.280 1.00 0.00 O ATOM 0 H GLY A 55 -0.245 -5.889 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.965 -3.964 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.162 -5.016 -6.271 1.00 0.00 H new ATOM 758 N ASP A 56 -0.183 -3.597 -8.112 1.00 0.00 N ATOM 759 CA ASP A 56 -0.428 -2.857 -9.338 1.00 0.00 C ATOM 760 C ASP A 56 -1.497 -1.793 -9.081 1.00 0.00 C ATOM 761 O ASP A 56 -2.691 -2.072 -9.174 1.00 0.00 O ATOM 762 CB ASP A 56 -0.938 -3.781 -10.447 1.00 0.00 C ATOM 763 CG ASP A 56 0.093 -4.775 -10.985 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.251 -4.344 -11.178 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.299 -5.944 -11.191 1.00 0.00 O ATOM 0 H ASP A 56 -1.024 -3.904 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 56 0.512 -2.402 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.795 -4.338 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.296 -3.168 -11.274 1.00 0.00 H new ATOM 770 N ILE A 57 -1.029 -0.595 -8.763 1.00 0.00 N ATOM 771 CA ILE A 57 -1.930 0.513 -8.492 1.00 0.00 C ATOM 772 C ILE A 57 -2.793 0.776 -9.727 1.00 0.00 C ATOM 773 O ILE A 57 -4.017 0.847 -9.630 1.00 0.00 O ATOM 774 CB ILE A 57 -1.145 1.737 -8.017 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.529 1.493 -6.638 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.021 2.992 -8.039 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.572 1.667 -5.533 1.00 0.00 C ATOM 0 H ILE A 57 -0.038 -0.367 -8.687 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.609 0.263 -7.677 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.322 1.905 -8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.113 0.487 -6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.296 2.187 -6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.439 3.848 -7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.371 3.174 -9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.878 2.849 -7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.108 1.488 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.969 2.682 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.384 0.955 -5.684 1.00 0.00 H new ATOM 789 N GLU A 58 -2.121 0.915 -10.861 1.00 0.00 N ATOM 790 CA GLU A 58 -2.812 1.169 -12.113 1.00 0.00 C ATOM 791 C GLU A 58 -4.026 0.248 -12.246 1.00 0.00 C ATOM 792 O GLU A 58 -5.083 0.671 -12.714 1.00 0.00 O ATOM 793 CB GLU A 58 -1.866 1.004 -13.304 1.00 0.00 C ATOM 794 CG GLU A 58 -1.351 2.362 -13.788 1.00 0.00 C ATOM 795 CD GLU A 58 -1.723 2.598 -15.253 1.00 0.00 C ATOM 796 OE1 GLU A 58 -2.934 2.524 -15.551 1.00 0.00 O ATOM 797 OE2 GLU A 58 -0.786 2.848 -16.043 1.00 0.00 O ATOM 0 H GLU A 58 -1.106 0.856 -10.938 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.162 2.201 -12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.024 0.372 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.385 0.497 -14.117 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.771 3.156 -13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.268 2.407 -13.672 1.00 0.00 H new ATOM 804 N LYS A 59 -3.836 -0.994 -11.827 1.00 0.00 N ATOM 805 CA LYS A 59 -4.903 -1.978 -11.893 1.00 0.00 C ATOM 806 C LYS A 59 -5.756 -1.886 -10.626 1.00 0.00 C ATOM 807 O LYS A 59 -6.958 -2.141 -10.663 1.00 0.00 O ATOM 808 CB LYS A 59 -4.329 -3.374 -12.148 1.00 0.00 C ATOM 809 CG LYS A 59 -4.143 -3.625 -13.645 1.00 0.00 C ATOM 810 CD LYS A 59 -2.949 -4.547 -13.902 1.00 0.00 C ATOM 811 CE LYS A 59 -3.278 -5.583 -14.978 1.00 0.00 C ATOM 812 NZ LYS A 59 -4.187 -6.620 -14.438 1.00 0.00 N ATOM 0 H LYS A 59 -2.959 -1.342 -11.440 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.561 -1.770 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.372 -3.476 -11.637 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.996 -4.127 -11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.048 -4.072 -14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.992 -2.677 -14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.088 -3.955 -14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.670 -5.053 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.743 -5.093 -15.833 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.360 -6.047 -15.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.226 -7.424 -15.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.834 -6.945 -13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.140 -6.220 -14.323 1.00 0.00 H new ATOM 826 N ALA A 60 -5.099 -1.520 -9.535 1.00 0.00 N ATOM 827 CA ALA A 60 -5.783 -1.391 -8.259 1.00 0.00 C ATOM 828 C ALA A 60 -6.811 -0.262 -8.348 1.00 0.00 C ATOM 829 O ALA A 60 -7.874 -0.335 -7.732 1.00 0.00 O ATOM 830 CB ALA A 60 -4.754 -1.156 -7.151 1.00 0.00 C ATOM 0 H ALA A 60 -4.101 -1.309 -9.508 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.321 -2.308 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.266 -1.059 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.064 -1.999 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.198 -0.242 -7.359 1.00 0.00 H new ATOM 836 N THR A 61 -6.460 0.756 -9.120 1.00 0.00 N ATOM 837 CA THR A 61 -7.339 1.899 -9.297 1.00 0.00 C ATOM 838 C THR A 61 -8.563 1.506 -10.128 1.00 0.00 C ATOM 839 O THR A 61 -9.616 2.133 -10.023 1.00 0.00 O ATOM 840 CB THR A 61 -6.522 3.033 -9.919 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.495 3.285 -8.963 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.300 4.348 -9.986 1.00 0.00 C ATOM 0 H THR A 61 -5.579 0.813 -9.630 1.00 0.00 H new ATOM 0 HA THR A 61 -7.731 2.248 -8.342 1.00 0.00 H new ATOM 0 HB THR A 61 -6.209 2.746 -10.923 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.803 2.595 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.674 5.119 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.196 4.210 -10.591 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.585 4.654 -8.979 1.00 0.00 H new ATOM 850 N ASP A 62 -8.383 0.471 -10.934 1.00 0.00 N ATOM 851 CA ASP A 62 -9.459 -0.013 -11.782 1.00 0.00 C ATOM 852 C ASP A 62 -10.267 -1.068 -11.022 1.00 0.00 C ATOM 853 O ASP A 62 -11.495 -1.078 -11.084 1.00 0.00 O ATOM 854 CB ASP A 62 -8.909 -0.664 -13.053 1.00 0.00 C ATOM 855 CG ASP A 62 -9.913 -0.791 -14.201 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.540 0.241 -14.523 1.00 0.00 O ATOM 857 OD2 ASP A 62 -10.030 -1.917 -14.730 1.00 0.00 O ATOM 0 H ASP A 62 -7.508 -0.046 -11.018 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.083 0.839 -12.054 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.055 -0.083 -13.400 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.538 -1.658 -12.803 1.00 0.00 H new ATOM 862 N TRP A 63 -9.544 -1.929 -10.322 1.00 0.00 N ATOM 863 CA TRP A 63 -10.178 -2.985 -9.551 1.00 0.00 C ATOM 864 C TRP A 63 -11.245 -2.345 -8.661 1.00 0.00 C ATOM 865 O TRP A 63 -12.298 -2.936 -8.426 1.00 0.00 O ATOM 866 CB TRP A 63 -9.141 -3.784 -8.760 1.00 0.00 C ATOM 867 CG TRP A 63 -9.721 -4.983 -8.007 1.00 0.00 C ATOM 868 CD1 TRP A 63 -9.706 -6.273 -8.372 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.406 -4.952 -6.737 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.329 -7.071 -7.435 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.768 -6.242 -6.409 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.710 -3.869 -5.894 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.454 -6.571 -5.233 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.396 -4.213 -4.723 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.768 -5.507 -4.378 1.00 0.00 C ATOM 0 H TRP A 63 -8.525 -1.917 -10.272 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.661 -3.707 -10.210 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.370 -4.137 -9.445 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.654 -3.120 -8.046 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.262 -6.641 -9.285 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.446 -8.083 -7.486 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.436 -2.852 -6.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.726 -7.590 -4.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.654 -3.417 -4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.297 -5.691 -3.455 1.00 0.00 H new ATOM 886 N VAL A 64 -10.937 -1.146 -8.191 1.00 0.00 N ATOM 887 CA VAL A 64 -11.857 -0.419 -7.333 1.00 0.00 C ATOM 888 C VAL A 64 -13.169 -0.181 -8.084 1.00 0.00 C ATOM 889 O VAL A 64 -14.230 -0.081 -7.471 1.00 0.00 O ATOM 890 CB VAL A 64 -11.205 0.876 -6.844 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.167 1.676 -5.964 1.00 0.00 C ATOM 892 CG2 VAL A 64 -9.898 0.585 -6.103 1.00 0.00 C ATOM 0 H VAL A 64 -10.063 -0.659 -8.388 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.093 -1.004 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.968 1.483 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.679 2.591 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.059 1.929 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.450 1.078 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.455 1.522 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.102 -0.051 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.205 0.076 -6.773 1.00 0.00 H new ATOM 902 N PHE A 65 -13.052 -0.097 -9.401 1.00 0.00 N ATOM 903 CA PHE A 65 -14.215 0.128 -10.243 1.00 0.00 C ATOM 904 C PHE A 65 -14.758 -1.193 -10.792 1.00 0.00 C ATOM 905 O PHE A 65 -15.859 -1.237 -11.338 1.00 0.00 O ATOM 906 CB PHE A 65 -13.760 1.004 -11.411 1.00 0.00 C ATOM 907 CG PHE A 65 -12.814 2.137 -11.007 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.891 2.676 -9.761 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.895 2.604 -11.894 1.00 0.00 C ATOM 910 CE1 PHE A 65 -12.013 3.727 -9.387 1.00 0.00 C ATOM 911 CE2 PHE A 65 -11.016 3.655 -11.520 1.00 0.00 C ATOM 912 CZ PHE A 65 -11.094 4.194 -10.274 1.00 0.00 C ATOM 0 H PHE A 65 -12.170 -0.181 -9.906 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.007 0.603 -9.664 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.263 0.376 -12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.638 1.432 -11.894 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.620 2.305 -9.056 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.834 2.175 -12.883 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.075 4.156 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.286 4.026 -12.225 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.426 4.993 -9.989 1.00 0.00 H new