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 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 171:sc= -1.16 USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.742 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 80:sc= 1.1 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.867 USER MOD ----------------------------------------------------------------- ATOM 355 N ILE A 28 0.978 -7.104 -1.386 1.00 0.00 N ATOM 356 CA ILE A 28 0.378 -5.809 -1.115 1.00 0.00 C ATOM 357 C ILE A 28 1.354 -4.961 -0.297 1.00 0.00 C ATOM 358 O ILE A 28 1.526 -5.187 0.900 1.00 0.00 O ATOM 359 CB ILE A 28 -0.991 -5.980 -0.455 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.959 -6.717 -1.383 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.551 -4.632 0.003 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.794 -7.737 -0.606 1.00 0.00 C ATOM 0 HA ILE A 28 0.192 -5.273 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.866 -6.596 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.618 -5.999 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.400 -7.223 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.525 -4.782 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.869 -4.181 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.658 -3.971 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.474 -8.247 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.134 -8.468 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.370 -7.224 0.164 1.00 0.00 H new ATOM 374 N ASP A 29 1.967 -4.001 -0.975 1.00 0.00 N ATOM 375 CA ASP A 29 2.921 -3.118 -0.326 1.00 0.00 C ATOM 376 C ASP A 29 2.164 -2.064 0.484 1.00 0.00 C ATOM 377 O ASP A 29 1.277 -1.392 -0.040 1.00 0.00 O ATOM 378 CB ASP A 29 3.787 -2.391 -1.356 1.00 0.00 C ATOM 379 CG ASP A 29 4.352 -3.277 -2.467 1.00 0.00 C ATOM 380 OD1 ASP A 29 5.241 -4.095 -2.145 1.00 0.00 O ATOM 381 OD2 ASP A 29 3.882 -3.118 -3.615 1.00 0.00 O ATOM 0 H ASP A 29 1.821 -3.816 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 29 3.559 -3.724 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.194 -1.597 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.617 -1.912 -0.837 1.00 0.00 H new ATOM 386 N GLN A 30 2.542 -1.952 1.749 1.00 0.00 N ATOM 387 CA GLN A 30 1.909 -0.991 2.637 1.00 0.00 C ATOM 388 C GLN A 30 1.880 0.393 1.986 1.00 0.00 C ATOM 389 O GLN A 30 0.879 1.102 2.071 1.00 0.00 O ATOM 390 CB GLN A 30 2.620 -0.946 3.991 1.00 0.00 C ATOM 391 CG GLN A 30 1.879 -0.030 4.968 1.00 0.00 C ATOM 392 CD GLN A 30 0.809 -0.804 5.741 1.00 0.00 C ATOM 393 OE1 GLN A 30 1.092 -1.555 6.660 1.00 0.00 O ATOM 394 NE2 GLN A 30 -0.432 -0.580 5.319 1.00 0.00 N ATOM 0 H GLN A 30 3.278 -2.511 2.180 1.00 0.00 H new ATOM 0 HA GLN A 30 0.882 -1.309 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.683 -1.952 4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.642 -0.591 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.589 0.413 5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.415 0.791 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.599 0.061 4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.217 -1.050 5.771 1.00 0.00 H new ATOM 403 N SER A 31 2.991 0.737 1.351 1.00 0.00 N ATOM 404 CA SER A 31 3.106 2.024 0.687 1.00 0.00 C ATOM 405 C SER A 31 2.054 2.137 -0.419 1.00 0.00 C ATOM 406 O SER A 31 1.518 3.217 -0.662 1.00 0.00 O ATOM 407 CB SER A 31 4.508 2.222 0.107 1.00 0.00 C ATOM 408 OG SER A 31 5.098 3.444 0.542 1.00 0.00 O ATOM 0 H SER A 31 3.820 0.146 1.282 1.00 0.00 H new ATOM 0 HA SER A 31 2.934 2.807 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.144 1.387 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.455 2.213 -0.982 1.00 0.00 H new ATOM 0 HG SER A 31 5.993 3.533 0.152 1.00 0.00 H new ATOM 414 N SER A 32 1.790 1.007 -1.059 1.00 0.00 N ATOM 415 CA SER A 32 0.812 0.966 -2.133 1.00 0.00 C ATOM 416 C SER A 32 -0.585 1.254 -1.579 1.00 0.00 C ATOM 417 O SER A 32 -1.267 2.164 -2.048 1.00 0.00 O ATOM 418 CB SER A 32 0.833 -0.387 -2.845 1.00 0.00 C ATOM 419 OG SER A 32 2.090 -0.646 -3.464 1.00 0.00 O ATOM 0 H SER A 32 2.236 0.113 -0.854 1.00 0.00 H new ATOM 0 HA SER A 32 1.072 1.733 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.613 -1.177 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.046 -0.412 -3.599 1.00 0.00 H new ATOM 0 HG SER A 32 2.114 -1.573 -3.781 1.00 0.00 H new ATOM 425 N VAL A 33 -0.969 0.461 -0.590 1.00 0.00 N ATOM 426 CA VAL A 33 -2.272 0.619 0.033 1.00 0.00 C ATOM 427 C VAL A 33 -2.520 2.102 0.319 1.00 0.00 C ATOM 428 O VAL A 33 -3.656 2.569 0.251 1.00 0.00 O ATOM 429 CB VAL A 33 -2.364 -0.255 1.286 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.638 0.050 2.075 1.00 0.00 C ATOM 431 CG2 VAL A 33 -2.283 -1.739 0.925 1.00 0.00 C ATOM 0 H VAL A 33 -0.401 -0.293 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.060 0.281 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.512 -0.019 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.678 -0.585 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.636 1.097 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.509 -0.144 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.351 -2.339 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.106 -1.997 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.335 -1.941 0.427 1.00 0.00 H new ATOM 441 N ASP A 34 -1.438 2.800 0.632 1.00 0.00 N ATOM 442 CA ASP A 34 -1.524 4.220 0.928 1.00 0.00 C ATOM 443 C ASP A 34 -1.684 5.000 -0.378 1.00 0.00 C ATOM 444 O ASP A 34 -2.447 5.963 -0.441 1.00 0.00 O ATOM 445 CB ASP A 34 -0.254 4.715 1.622 1.00 0.00 C ATOM 446 CG ASP A 34 -0.367 6.098 2.267 1.00 0.00 C ATOM 447 OD1 ASP A 34 -1.515 6.579 2.381 1.00 0.00 O ATOM 448 OD2 ASP A 34 0.698 6.643 2.631 1.00 0.00 O ATOM 0 H ASP A 34 -0.498 2.409 0.687 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.379 4.377 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.027 3.994 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.556 4.736 0.893 1.00 0.00 H new ATOM 453 N THR A 35 -0.952 4.556 -1.389 1.00 0.00 N ATOM 454 CA THR A 35 -1.003 5.201 -2.690 1.00 0.00 C ATOM 455 C THR A 35 -2.450 5.311 -3.174 1.00 0.00 C ATOM 456 O THR A 35 -2.790 6.225 -3.924 1.00 0.00 O ATOM 457 CB THR A 35 -0.102 4.414 -3.644 1.00 0.00 C ATOM 458 OG1 THR A 35 1.216 4.663 -3.161 1.00 0.00 O ATOM 459 CG2 THR A 35 -0.097 4.995 -5.059 1.00 0.00 C ATOM 0 H THR A 35 -0.320 3.757 -1.334 1.00 0.00 H new ATOM 0 HA THR A 35 -0.631 6.224 -2.639 1.00 0.00 H new ATOM 0 HB THR A 35 -0.431 3.376 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.360 4.163 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.558 4.399 -5.695 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.109 4.977 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.264 6.023 -5.029 1.00 0.00 H new ATOM 467 N LEU A 36 -3.264 4.367 -2.726 1.00 0.00 N ATOM 468 CA LEU A 36 -4.667 4.346 -3.104 1.00 0.00 C ATOM 469 C LEU A 36 -5.478 5.142 -2.080 1.00 0.00 C ATOM 470 O LEU A 36 -6.541 5.673 -2.401 1.00 0.00 O ATOM 471 CB LEU A 36 -5.151 2.907 -3.288 1.00 0.00 C ATOM 472 CG LEU A 36 -4.707 2.209 -4.575 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.520 0.707 -4.348 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.680 2.499 -5.720 1.00 0.00 C ATOM 0 H LEU A 36 -2.979 3.610 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.809 4.831 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.804 2.317 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.240 2.904 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.738 2.614 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.204 0.235 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.760 0.546 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.463 0.268 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.341 1.991 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.674 2.140 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.719 3.573 -5.901 1.00 0.00 H new ATOM 486 N LEU A 37 -4.947 5.201 -0.867 1.00 0.00 N ATOM 487 CA LEU A 37 -5.608 5.923 0.206 1.00 0.00 C ATOM 488 C LEU A 37 -5.805 7.381 -0.212 1.00 0.00 C ATOM 489 O LEU A 37 -6.904 7.922 -0.094 1.00 0.00 O ATOM 490 CB LEU A 37 -4.837 5.758 1.517 1.00 0.00 C ATOM 491 CG LEU A 37 -5.093 4.460 2.287 1.00 0.00 C ATOM 492 CD1 LEU A 37 -4.012 4.228 3.345 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.498 4.449 2.892 1.00 0.00 C ATOM 0 H LEU A 37 -4.066 4.760 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.599 5.507 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.771 5.824 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.082 6.598 2.168 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.039 3.629 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.217 3.299 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.038 4.161 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.010 5.058 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.654 3.516 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.605 5.289 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.238 4.534 2.096 1.00 0.00 H new ATOM 505 N SER A 38 -4.724 7.977 -0.693 1.00 0.00 N ATOM 506 CA SER A 38 -4.764 9.362 -1.129 1.00 0.00 C ATOM 507 C SER A 38 -5.698 9.505 -2.333 1.00 0.00 C ATOM 508 O SER A 38 -6.572 10.371 -2.346 1.00 0.00 O ATOM 509 CB SER A 38 -3.364 9.870 -1.481 1.00 0.00 C ATOM 510 OG SER A 38 -3.335 11.285 -1.644 1.00 0.00 O ATOM 0 H SER A 38 -3.815 7.526 -0.790 1.00 0.00 H new ATOM 0 HA SER A 38 -5.145 9.968 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.665 9.581 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.025 9.392 -2.400 1.00 0.00 H new ATOM 0 HG SER A 38 -2.424 11.570 -1.866 1.00 0.00 H new ATOM 516 N PHE A 39 -5.482 8.642 -3.315 1.00 0.00 N ATOM 517 CA PHE A 39 -6.293 8.661 -4.520 1.00 0.00 C ATOM 518 C PHE A 39 -7.760 8.945 -4.189 1.00 0.00 C ATOM 519 O PHE A 39 -8.370 9.840 -4.772 1.00 0.00 O ATOM 520 CB PHE A 39 -6.185 7.273 -5.154 1.00 0.00 C ATOM 521 CG PHE A 39 -5.053 7.143 -6.176 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.808 7.599 -5.873 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.292 6.570 -7.386 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.758 7.478 -6.821 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.242 6.449 -8.334 1.00 0.00 C ATOM 526 CZ PHE A 39 -2.997 6.905 -8.031 1.00 0.00 C ATOM 0 H PHE A 39 -4.757 7.925 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.942 9.444 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.036 6.535 -4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.130 7.032 -5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.618 8.053 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.281 6.207 -7.626 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.769 7.841 -6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.432 5.995 -9.295 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.198 6.812 -8.752 1.00 0.00 H new ATOM 536 N GLY A 40 -8.283 8.165 -3.254 1.00 0.00 N ATOM 537 CA GLY A 40 -9.667 8.321 -2.838 1.00 0.00 C ATOM 538 C GLY A 40 -10.337 6.960 -2.642 1.00 0.00 C ATOM 539 O GLY A 40 -11.356 6.669 -3.268 1.00 0.00 O ATOM 0 H GLY A 40 -7.774 7.424 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.709 8.888 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.213 8.895 -3.587 1.00 0.00 H new ATOM 543 N PHE A 41 -9.738 6.161 -1.771 1.00 0.00 N ATOM 544 CA PHE A 41 -10.265 4.838 -1.484 1.00 0.00 C ATOM 545 C PHE A 41 -9.973 4.433 -0.038 1.00 0.00 C ATOM 546 O PHE A 41 -9.126 5.035 0.620 1.00 0.00 O ATOM 547 CB PHE A 41 -9.557 3.862 -2.427 1.00 0.00 C ATOM 548 CG PHE A 41 -9.541 4.310 -3.889 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.712 4.518 -4.550 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.356 4.502 -4.529 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.696 4.934 -5.907 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.341 4.918 -5.886 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.511 5.125 -6.547 1.00 0.00 C ATOM 0 H PHE A 41 -8.893 6.405 -1.255 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.346 4.829 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.530 3.726 -2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.046 2.890 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.653 4.367 -4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.426 4.338 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.625 5.099 -6.432 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.400 5.070 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.500 5.441 -7.580 1.00 0.00 H new ATOM 563 N ALA A 42 -10.692 3.416 0.415 1.00 0.00 N ATOM 564 CA ALA A 42 -10.521 2.924 1.771 1.00 0.00 C ATOM 565 C ALA A 42 -9.288 2.020 1.830 1.00 0.00 C ATOM 566 O ALA A 42 -8.889 1.442 0.820 1.00 0.00 O ATOM 567 CB ALA A 42 -11.794 2.202 2.217 1.00 0.00 C ATOM 0 H ALA A 42 -11.394 2.920 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.356 3.752 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.665 1.833 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.635 2.895 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.990 1.363 1.549 1.00 0.00 H new ATOM 573 N GLU A 43 -8.718 1.926 3.023 1.00 0.00 N ATOM 574 CA GLU A 43 -7.539 1.103 3.226 1.00 0.00 C ATOM 575 C GLU A 43 -7.857 -0.364 2.926 1.00 0.00 C ATOM 576 O GLU A 43 -6.993 -1.108 2.466 1.00 0.00 O ATOM 577 CB GLU A 43 -6.994 1.266 4.646 1.00 0.00 C ATOM 578 CG GLU A 43 -5.703 0.467 4.834 1.00 0.00 C ATOM 579 CD GLU A 43 -5.786 -0.427 6.073 1.00 0.00 C ATOM 580 OE1 GLU A 43 -6.110 0.123 7.148 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.524 -1.639 5.917 1.00 0.00 O ATOM 0 H GLU A 43 -9.052 2.407 3.859 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.765 1.436 2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.806 2.320 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.741 0.932 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.518 -0.145 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.859 1.150 4.930 1.00 0.00 H new ATOM 588 N ASP A 44 -9.099 -0.734 3.200 1.00 0.00 N ATOM 589 CA ASP A 44 -9.542 -2.098 2.965 1.00 0.00 C ATOM 590 C ASP A 44 -9.565 -2.371 1.460 1.00 0.00 C ATOM 591 O ASP A 44 -8.957 -3.331 0.990 1.00 0.00 O ATOM 592 CB ASP A 44 -10.956 -2.319 3.507 1.00 0.00 C ATOM 593 CG ASP A 44 -11.109 -2.114 5.016 1.00 0.00 C ATOM 594 OD1 ASP A 44 -10.112 -2.363 5.727 1.00 0.00 O ATOM 595 OD2 ASP A 44 -12.220 -1.713 5.424 1.00 0.00 O ATOM 0 H ASP A 44 -9.813 -0.113 3.582 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.851 -2.769 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.636 -1.641 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.269 -3.333 3.260 1.00 0.00 H new ATOM 600 N VAL A 45 -10.273 -1.508 0.745 1.00 0.00 N ATOM 601 CA VAL A 45 -10.383 -1.644 -0.697 1.00 0.00 C ATOM 602 C VAL A 45 -8.993 -1.524 -1.324 1.00 0.00 C ATOM 603 O VAL A 45 -8.687 -2.208 -2.299 1.00 0.00 O ATOM 604 CB VAL A 45 -11.377 -0.617 -1.245 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.086 -0.303 -2.714 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.818 -1.096 -1.061 1.00 0.00 C ATOM 0 H VAL A 45 -10.776 -0.712 1.138 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.774 -2.627 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.256 0.304 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.806 0.429 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.078 0.102 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.166 -1.216 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.504 -0.348 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.959 -2.037 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.019 -1.245 -0.000 1.00 0.00 H new ATOM 616 N ALA A 46 -8.188 -0.649 -0.738 1.00 0.00 N ATOM 617 CA ALA A 46 -6.838 -0.431 -1.227 1.00 0.00 C ATOM 618 C ALA A 46 -6.065 -1.751 -1.187 1.00 0.00 C ATOM 619 O ALA A 46 -5.268 -2.035 -2.079 1.00 0.00 O ATOM 620 CB ALA A 46 -6.164 0.664 -0.397 1.00 0.00 C ATOM 0 H ALA A 46 -8.445 -0.083 0.071 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.856 -0.091 -2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.151 0.827 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.735 1.589 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.126 0.357 0.648 1.00 0.00 H new ATOM 626 N ARG A 47 -6.330 -2.522 -0.143 1.00 0.00 N ATOM 627 CA ARG A 47 -5.670 -3.806 0.026 1.00 0.00 C ATOM 628 C ARG A 47 -6.345 -4.868 -0.844 1.00 0.00 C ATOM 629 O ARG A 47 -5.717 -5.854 -1.227 1.00 0.00 O ATOM 630 CB ARG A 47 -5.704 -4.255 1.488 1.00 0.00 C ATOM 631 CG ARG A 47 -4.303 -4.623 1.981 1.00 0.00 C ATOM 632 CD ARG A 47 -4.302 -4.871 3.491 1.00 0.00 C ATOM 633 NE ARG A 47 -3.144 -5.713 3.865 1.00 0.00 N ATOM 634 CZ ARG A 47 -2.698 -5.863 5.119 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.310 -5.229 6.129 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.640 -6.648 5.365 1.00 0.00 N ATOM 0 H ARG A 47 -6.993 -2.283 0.595 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.631 -3.688 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.114 -3.457 2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.368 -5.113 1.593 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.953 -5.515 1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.606 -3.820 1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.259 -3.921 4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.229 -5.361 3.788 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.655 -6.210 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.116 -4.632 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.970 -5.344 7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.174 -7.131 4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.301 -6.762 6.320 1.00 0.00 H new ATOM 650 N LYS A 48 -7.617 -4.632 -1.129 1.00 0.00 N ATOM 651 CA LYS A 48 -8.385 -5.556 -1.946 1.00 0.00 C ATOM 652 C LYS A 48 -7.998 -5.375 -3.415 1.00 0.00 C ATOM 653 O LYS A 48 -7.862 -6.351 -4.150 1.00 0.00 O ATOM 654 CB LYS A 48 -9.883 -5.390 -1.680 1.00 0.00 C ATOM 655 CG LYS A 48 -10.236 -5.817 -0.253 1.00 0.00 C ATOM 656 CD LYS A 48 -11.548 -6.604 -0.226 1.00 0.00 C ATOM 657 CE LYS A 48 -12.744 -5.684 -0.479 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.763 -5.855 0.581 1.00 0.00 N ATOM 0 H LYS A 48 -8.135 -3.814 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.149 -6.586 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.171 -4.350 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.451 -5.987 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.432 -6.429 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.323 -4.936 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.521 -7.388 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.661 -7.096 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.412 -4.646 -0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.182 -5.906 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.568 -5.223 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.092 -6.842 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.346 -5.620 1.504 1.00 0.00 H new ATOM 672 N ALA A 49 -7.832 -4.117 -3.799 1.00 0.00 N ATOM 673 CA ALA A 49 -7.463 -3.795 -5.167 1.00 0.00 C ATOM 674 C ALA A 49 -6.051 -4.312 -5.445 1.00 0.00 C ATOM 675 O ALA A 49 -5.786 -4.863 -6.513 1.00 0.00 O ATOM 676 CB ALA A 49 -7.586 -2.286 -5.387 1.00 0.00 C ATOM 0 H ALA A 49 -7.946 -3.309 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.137 -4.283 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.309 -2.044 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.615 -1.975 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.922 -1.763 -4.699 1.00 0.00 H new ATOM 682 N LEU A 50 -5.180 -4.116 -4.466 1.00 0.00 N ATOM 683 CA LEU A 50 -3.801 -4.555 -4.593 1.00 0.00 C ATOM 684 C LEU A 50 -3.736 -6.074 -4.421 1.00 0.00 C ATOM 685 O LEU A 50 -2.757 -6.706 -4.816 1.00 0.00 O ATOM 686 CB LEU A 50 -2.903 -3.788 -3.620 1.00 0.00 C ATOM 687 CG LEU A 50 -2.875 -2.268 -3.790 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.406 -1.581 -2.505 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.025 -1.867 -4.997 1.00 0.00 C ATOM 0 H LEU A 50 -5.403 -3.659 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.420 -4.329 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.225 -4.014 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.885 -4.164 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.892 -1.927 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.395 -0.501 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.087 -1.829 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.402 -1.923 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.022 -0.781 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.004 -2.222 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.443 -2.312 -5.900 1.00 0.00 H new ATOM 701 N LYS A 51 -4.792 -6.617 -3.832 1.00 0.00 N ATOM 702 CA LYS A 51 -4.868 -8.050 -3.604 1.00 0.00 C ATOM 703 C LYS A 51 -5.005 -8.769 -4.947 1.00 0.00 C ATOM 704 O LYS A 51 -4.266 -9.712 -5.229 1.00 0.00 O ATOM 705 CB LYS A 51 -5.988 -8.376 -2.614 1.00 0.00 C ATOM 706 CG LYS A 51 -6.485 -9.811 -2.802 1.00 0.00 C ATOM 707 CD LYS A 51 -6.918 -10.421 -1.468 1.00 0.00 C ATOM 708 CE LYS A 51 -5.705 -10.889 -0.660 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.001 -10.848 0.789 1.00 0.00 N ATOM 0 H LYS A 51 -5.602 -6.090 -3.506 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.950 -8.412 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.627 -8.243 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.815 -7.680 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.323 -9.821 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.695 -10.418 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.481 -9.685 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.586 -11.263 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.434 -11.903 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.847 -10.254 -0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.168 -11.168 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.237 -9.874 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.806 -11.472 0.997 1.00 0.00 H new ATOM 723 N ALA A 52 -5.955 -8.297 -5.741 1.00 0.00 N ATOM 724 CA ALA A 52 -6.198 -8.884 -7.047 1.00 0.00 C ATOM 725 C ALA A 52 -5.152 -8.367 -8.037 1.00 0.00 C ATOM 726 O ALA A 52 -4.695 -9.108 -8.906 1.00 0.00 O ATOM 727 CB ALA A 52 -7.628 -8.567 -7.492 1.00 0.00 C ATOM 0 H ALA A 52 -6.565 -7.515 -5.505 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.103 -9.969 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.810 -9.008 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.333 -8.981 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.760 -7.487 -7.550 1.00 0.00 H new ATOM 733 N SER A 53 -4.803 -7.100 -7.871 1.00 0.00 N ATOM 734 CA SER A 53 -3.818 -6.475 -8.738 1.00 0.00 C ATOM 735 C SER A 53 -2.429 -6.566 -8.104 1.00 0.00 C ATOM 736 O SER A 53 -2.049 -5.709 -7.308 1.00 0.00 O ATOM 737 CB SER A 53 -4.180 -5.015 -9.020 1.00 0.00 C ATOM 738 OG SER A 53 -5.583 -4.836 -9.192 1.00 0.00 O ATOM 0 H SER A 53 -5.185 -6.489 -7.149 1.00 0.00 H new ATOM 0 HA SER A 53 -3.811 -7.009 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.833 -4.390 -8.197 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.659 -4.679 -9.917 1.00 0.00 H new ATOM 0 HG SER A 53 -6.018 -4.800 -8.315 1.00 0.00 H new ATOM 744 N GLY A 54 -1.709 -7.612 -8.481 1.00 0.00 N ATOM 745 CA GLY A 54 -0.370 -7.825 -7.958 1.00 0.00 C ATOM 746 C GLY A 54 0.413 -6.512 -7.901 1.00 0.00 C ATOM 747 O GLY A 54 1.014 -6.100 -8.892 1.00 0.00 O ATOM 0 H GLY A 54 -2.027 -8.321 -9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.431 -8.260 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.160 -8.541 -8.586 1.00 0.00 H new ATOM 751 N GLY A 55 0.379 -5.890 -6.732 1.00 0.00 N ATOM 752 CA GLY A 55 1.077 -4.632 -6.533 1.00 0.00 C ATOM 753 C GLY A 55 0.987 -3.751 -7.781 1.00 0.00 C ATOM 754 O GLY A 55 2.005 -3.289 -8.293 1.00 0.00 O ATOM 0 H GLY A 55 -0.121 -6.234 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.649 -4.105 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.123 -4.826 -6.295 1.00 0.00 H new ATOM 758 N ASP A 56 -0.241 -3.546 -8.234 1.00 0.00 N ATOM 759 CA ASP A 56 -0.477 -2.729 -9.412 1.00 0.00 C ATOM 760 C ASP A 56 -1.565 -1.698 -9.103 1.00 0.00 C ATOM 761 O ASP A 56 -2.753 -2.012 -9.147 1.00 0.00 O ATOM 762 CB ASP A 56 -0.956 -3.584 -10.587 1.00 0.00 C ATOM 763 CG ASP A 56 0.137 -4.400 -11.280 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.270 -3.879 -11.361 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.186 -5.528 -11.713 1.00 0.00 O ATOM 0 H ASP A 56 -1.083 -3.932 -7.807 1.00 0.00 H new ATOM 0 HA ASP A 56 0.461 -2.242 -9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.727 -4.267 -10.230 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.424 -2.932 -11.324 1.00 0.00 H new ATOM 770 N ILE A 57 -1.119 -0.489 -8.797 1.00 0.00 N ATOM 771 CA ILE A 57 -2.039 0.590 -8.481 1.00 0.00 C ATOM 772 C ILE A 57 -2.940 0.856 -9.688 1.00 0.00 C ATOM 773 O ILE A 57 -4.156 0.975 -9.545 1.00 0.00 O ATOM 774 CB ILE A 57 -1.273 1.825 -8.001 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.583 1.556 -6.662 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.189 3.048 -7.939 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.586 1.614 -5.508 1.00 0.00 C ATOM 0 H ILE A 57 -0.132 -0.233 -8.761 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.689 0.306 -7.654 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.491 2.046 -8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.106 0.576 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.205 2.291 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.620 3.912 -7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.593 3.251 -8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.008 2.854 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.070 1.419 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.044 2.603 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.360 0.861 -5.660 1.00 0.00 H new ATOM 789 N GLU A 58 -2.309 0.942 -10.850 1.00 0.00 N ATOM 790 CA GLU A 58 -3.039 1.192 -12.081 1.00 0.00 C ATOM 791 C GLU A 58 -4.204 0.210 -12.216 1.00 0.00 C ATOM 792 O GLU A 58 -5.295 0.589 -12.640 1.00 0.00 O ATOM 793 CB GLU A 58 -2.110 1.111 -13.295 1.00 0.00 C ATOM 794 CG GLU A 58 -1.655 2.505 -13.730 1.00 0.00 C ATOM 795 CD GLU A 58 -2.000 2.760 -15.199 1.00 0.00 C ATOM 796 OE1 GLU A 58 -3.153 3.172 -15.448 1.00 0.00 O ATOM 797 OE2 GLU A 58 -1.102 2.538 -16.040 1.00 0.00 O ATOM 0 H GLU A 58 -1.300 0.843 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.444 2.203 -12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.241 0.500 -13.052 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.625 0.619 -14.120 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.132 3.259 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.579 2.603 -13.583 1.00 0.00 H new ATOM 804 N LYS A 59 -3.934 -1.034 -11.848 1.00 0.00 N ATOM 805 CA LYS A 59 -4.947 -2.074 -11.923 1.00 0.00 C ATOM 806 C LYS A 59 -5.833 -2.006 -10.678 1.00 0.00 C ATOM 807 O LYS A 59 -7.039 -2.239 -10.757 1.00 0.00 O ATOM 808 CB LYS A 59 -4.296 -3.441 -12.141 1.00 0.00 C ATOM 809 CG LYS A 59 -4.134 -3.739 -13.633 1.00 0.00 C ATOM 810 CD LYS A 59 -3.445 -5.088 -13.851 1.00 0.00 C ATOM 811 CE LYS A 59 -4.143 -5.888 -14.952 1.00 0.00 C ATOM 812 NZ LYS A 59 -3.289 -5.962 -16.159 1.00 0.00 N ATOM 0 H LYS A 59 -3.028 -1.345 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.595 -1.914 -12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.321 -3.466 -11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.905 -4.216 -11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.112 -3.744 -14.115 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.550 -2.948 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.401 -4.928 -14.119 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.452 -5.658 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.365 -6.893 -14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.096 -5.421 -15.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.777 -6.508 -16.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.098 -5.001 -16.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.391 -6.428 -15.921 1.00 0.00 H new ATOM 826 N ALA A 60 -5.202 -1.687 -9.558 1.00 0.00 N ATOM 827 CA ALA A 60 -5.919 -1.586 -8.298 1.00 0.00 C ATOM 828 C ALA A 60 -6.974 -0.483 -8.403 1.00 0.00 C ATOM 829 O ALA A 60 -8.104 -0.655 -7.948 1.00 0.00 O ATOM 830 CB ALA A 60 -4.924 -1.333 -7.163 1.00 0.00 C ATOM 0 H ALA A 60 -4.202 -1.495 -9.496 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.437 -2.519 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.462 -1.257 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.214 -2.158 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.387 -0.403 -7.350 1.00 0.00 H new ATOM 836 N THR A 61 -6.569 0.624 -9.007 1.00 0.00 N ATOM 837 CA THR A 61 -7.466 1.755 -9.178 1.00 0.00 C ATOM 838 C THR A 61 -8.713 1.333 -9.958 1.00 0.00 C ATOM 839 O THR A 61 -9.794 1.881 -9.750 1.00 0.00 O ATOM 840 CB THR A 61 -6.681 2.883 -9.850 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.679 3.226 -8.897 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.507 4.163 -9.999 1.00 0.00 C ATOM 0 H THR A 61 -5.632 0.762 -9.384 1.00 0.00 H new ATOM 0 HA THR A 61 -7.830 2.120 -8.218 1.00 0.00 H new ATOM 0 HB THR A 61 -6.342 2.553 -10.832 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.953 2.569 -8.935 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.903 4.932 -10.481 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.388 3.959 -10.607 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.819 4.512 -9.014 1.00 0.00 H new ATOM 850 N ASP A 62 -8.520 0.363 -10.839 1.00 0.00 N ATOM 851 CA ASP A 62 -9.616 -0.139 -11.651 1.00 0.00 C ATOM 852 C ASP A 62 -10.403 -1.179 -10.852 1.00 0.00 C ATOM 853 O ASP A 62 -11.632 -1.144 -10.822 1.00 0.00 O ATOM 854 CB ASP A 62 -9.095 -0.814 -12.922 1.00 0.00 C ATOM 855 CG ASP A 62 -10.163 -1.126 -13.973 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.827 -0.161 -14.410 1.00 0.00 O ATOM 857 OD2 ASP A 62 -10.291 -2.321 -14.314 1.00 0.00 O ATOM 0 H ASP A 62 -7.621 -0.089 -11.009 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.248 0.706 -11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.340 -0.171 -13.373 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.598 -1.743 -12.644 1.00 0.00 H new ATOM 862 N TRP A 63 -9.662 -2.081 -10.224 1.00 0.00 N ATOM 863 CA TRP A 63 -10.275 -3.129 -9.426 1.00 0.00 C ATOM 864 C TRP A 63 -11.349 -2.487 -8.547 1.00 0.00 C ATOM 865 O TRP A 63 -12.365 -3.112 -8.245 1.00 0.00 O ATOM 866 CB TRP A 63 -9.221 -3.893 -8.622 1.00 0.00 C ATOM 867 CG TRP A 63 -9.775 -5.097 -7.857 1.00 0.00 C ATOM 868 CD1 TRP A 63 -9.717 -6.391 -8.203 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.476 -5.067 -6.596 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.328 -7.193 -7.261 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.803 -6.363 -6.253 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.821 -3.981 -5.773 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.493 -6.694 -5.080 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.510 -4.328 -4.605 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.848 -5.628 -4.245 1.00 0.00 C ATOM 0 H TRP A 63 -8.643 -2.107 -10.252 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.749 -3.874 -10.065 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.439 -4.235 -9.300 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.753 -3.209 -7.914 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.251 -6.759 -9.105 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.415 -8.209 -7.298 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.574 -2.960 -6.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.738 -7.716 -4.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.799 -3.530 -3.937 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.382 -5.814 -3.325 1.00 0.00 H new ATOM 886 N VAL A 64 -11.089 -1.247 -8.160 1.00 0.00 N ATOM 887 CA VAL A 64 -12.021 -0.513 -7.321 1.00 0.00 C ATOM 888 C VAL A 64 -13.295 -0.221 -8.116 1.00 0.00 C ATOM 889 O VAL A 64 -14.402 -0.410 -7.613 1.00 0.00 O ATOM 890 CB VAL A 64 -11.352 0.752 -6.778 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.321 1.551 -5.904 1.00 0.00 C ATOM 892 CG2 VAL A 64 -10.074 0.410 -6.010 1.00 0.00 C ATOM 0 H VAL A 64 -10.246 -0.732 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.308 -1.110 -6.455 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.074 1.376 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.822 2.445 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.190 1.841 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.643 0.937 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.619 1.327 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.317 -0.244 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.375 -0.097 -6.675 1.00 0.00 H new ATOM 902 N PHE A 65 -13.097 0.234 -9.345 1.00 0.00 N ATOM 903 CA PHE A 65 -14.216 0.553 -10.214 1.00 0.00 C ATOM 904 C PHE A 65 -14.839 -0.717 -10.796 1.00 0.00 C ATOM 905 O PHE A 65 -15.945 -0.681 -11.333 1.00 0.00 O ATOM 906 CB PHE A 65 -13.665 1.407 -11.358 1.00 0.00 C ATOM 907 CG PHE A 65 -12.599 2.415 -10.924 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.659 2.979 -9.688 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.590 2.746 -11.775 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.669 3.914 -9.286 1.00 0.00 C ATOM 911 CE2 PHE A 65 -10.601 3.682 -11.373 1.00 0.00 C ATOM 912 CZ PHE A 65 -10.661 4.246 -10.137 1.00 0.00 C ATOM 0 H PHE A 65 -12.178 0.389 -9.759 1.00 0.00 H new ATOM 0 HA PHE A 65 -14.987 1.077 -9.649 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.241 0.750 -12.117 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.490 1.945 -11.826 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.459 2.716 -9.012 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.542 2.297 -12.756 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.716 4.362 -8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.801 3.946 -12.049 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.908 4.958 -9.831 1.00 0.00 H new