USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot 69:sc= 1.5 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 150:sc= 0.826 (180deg=0) USER MOD Single : A 27 MET CE :methyl -153:sc= -0.12 (180deg=-1.65) USER MOD Single : A 30 HIS : no HD1:sc= 0.452 K(o=0.45,f=-2.2!) USER MOD Single : A 36 SER OG : rot 36:sc= 0.735 USER MOD Single : A 39 SER OG : rot 150:sc= -1.04 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -109:sc= -0.999 USER MOD Single : A 52 MET CE :methyl -141:sc= -0.174 (180deg=-1.5) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= 0.576 (180deg=0.141) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0265) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 93 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.29) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.407 K(o=-0.41,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 6.470 -9.050 -2.393 1.00 0.00 N ATOM 393 CA MET A 27 6.150 -7.728 -1.808 1.00 0.00 C ATOM 394 C MET A 27 5.439 -6.853 -2.856 1.00 0.00 C ATOM 395 O MET A 27 4.329 -6.385 -2.616 1.00 0.00 O ATOM 396 CB MET A 27 7.447 -7.025 -1.270 1.00 0.00 C ATOM 397 CG MET A 27 7.224 -5.714 -0.467 1.00 0.00 C ATOM 398 SD MET A 27 6.767 -4.287 -1.485 1.00 0.00 S ATOM 399 CE MET A 27 8.210 -4.092 -2.535 1.00 0.00 C ATOM 0 HA MET A 27 5.479 -7.870 -0.961 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.983 -7.731 -0.635 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.095 -6.803 -2.118 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.442 -5.883 0.273 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.136 -5.478 0.081 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.298 -3.050 -2.843 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.104 -4.384 -1.983 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.106 -4.724 -3.417 1.00 0.00 H new ATOM 409 N GLU A 28 6.085 -6.660 -4.035 1.00 0.00 N ATOM 410 CA GLU A 28 5.577 -5.772 -5.118 1.00 0.00 C ATOM 411 C GLU A 28 4.184 -6.226 -5.611 1.00 0.00 C ATOM 412 O GLU A 28 3.274 -5.411 -5.806 1.00 0.00 O ATOM 413 CB GLU A 28 6.595 -5.703 -6.310 1.00 0.00 C ATOM 414 CG GLU A 28 6.812 -7.021 -7.089 1.00 0.00 C ATOM 415 CD GLU A 28 7.822 -6.903 -8.247 1.00 0.00 C ATOM 416 OE1 GLU A 28 9.021 -6.688 -7.984 1.00 0.00 O ATOM 417 OE2 GLU A 28 7.427 -7.037 -9.425 1.00 0.00 O ATOM 0 H GLU A 28 6.970 -7.113 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 28 5.472 -4.770 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.253 -4.941 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.558 -5.370 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.157 -7.789 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.855 -7.358 -7.487 1.00 0.00 H new ATOM 424 N ASP A 29 4.041 -7.545 -5.742 1.00 0.00 N ATOM 425 CA ASP A 29 2.827 -8.215 -6.219 1.00 0.00 C ATOM 426 C ASP A 29 1.730 -8.196 -5.137 1.00 0.00 C ATOM 427 O ASP A 29 0.531 -8.187 -5.450 1.00 0.00 O ATOM 428 CB ASP A 29 3.181 -9.671 -6.607 1.00 0.00 C ATOM 429 CG ASP A 29 3.634 -10.523 -5.398 1.00 0.00 C ATOM 430 OD1 ASP A 29 4.728 -10.257 -4.840 1.00 0.00 O ATOM 431 OD2 ASP A 29 2.882 -11.430 -4.985 1.00 0.00 O ATOM 0 H ASP A 29 4.789 -8.199 -5.512 1.00 0.00 H new ATOM 0 HA ASP A 29 2.440 -7.686 -7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.313 -10.140 -7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.974 -9.660 -7.355 1.00 0.00 H new ATOM 436 N HIS A 30 2.165 -8.196 -3.861 1.00 0.00 N ATOM 437 CA HIS A 30 1.272 -8.211 -2.696 1.00 0.00 C ATOM 438 C HIS A 30 0.562 -6.854 -2.567 1.00 0.00 C ATOM 439 O HIS A 30 -0.659 -6.801 -2.420 1.00 0.00 O ATOM 440 CB HIS A 30 2.085 -8.543 -1.414 1.00 0.00 C ATOM 441 CG HIS A 30 1.268 -9.104 -0.274 1.00 0.00 C ATOM 442 ND1 HIS A 30 1.473 -10.364 0.242 1.00 0.00 N ATOM 443 CD2 HIS A 30 0.252 -8.575 0.453 1.00 0.00 C ATOM 444 CE1 HIS A 30 0.625 -10.581 1.220 1.00 0.00 C ATOM 445 NE2 HIS A 30 -0.126 -9.513 1.367 1.00 0.00 N ATOM 0 H HIS A 30 3.154 -8.185 -3.613 1.00 0.00 H new ATOM 0 HA HIS A 30 0.512 -8.982 -2.827 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.865 -9.260 -1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.585 -7.637 -1.073 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.178 -7.592 0.330 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.556 -11.486 1.806 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.872 -9.403 2.054 1.00 0.00 H new ATOM 454 N LEU A 31 1.363 -5.776 -2.645 1.00 0.00 N ATOM 455 CA LEU A 31 0.877 -4.376 -2.633 1.00 0.00 C ATOM 456 C LEU A 31 -0.015 -4.110 -3.851 1.00 0.00 C ATOM 457 O LEU A 31 -0.982 -3.367 -3.763 1.00 0.00 O ATOM 458 CB LEU A 31 2.075 -3.378 -2.627 1.00 0.00 C ATOM 459 CG LEU A 31 2.738 -3.055 -1.246 1.00 0.00 C ATOM 460 CD1 LEU A 31 3.106 -4.320 -0.461 1.00 0.00 C ATOM 461 CD2 LEU A 31 3.980 -2.160 -1.440 1.00 0.00 C ATOM 0 H LEU A 31 2.378 -5.849 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 31 0.292 -4.227 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.847 -3.775 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.734 -2.440 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 31 1.997 -2.517 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.562 -4.039 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.206 -4.906 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.812 -4.915 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.429 -1.945 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.705 -2.676 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.684 -1.226 -1.918 1.00 0.00 H new ATOM 473 N LEU A 32 0.351 -4.733 -4.981 1.00 0.00 N ATOM 474 CA LEU A 32 -0.396 -4.646 -6.245 1.00 0.00 C ATOM 475 C LEU A 32 -1.832 -5.208 -6.079 1.00 0.00 C ATOM 476 O LEU A 32 -2.802 -4.642 -6.601 1.00 0.00 O ATOM 477 CB LEU A 32 0.394 -5.416 -7.338 1.00 0.00 C ATOM 478 CG LEU A 32 -0.105 -5.260 -8.802 1.00 0.00 C ATOM 479 CD1 LEU A 32 -0.098 -3.785 -9.234 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.724 -6.140 -9.774 1.00 0.00 C ATOM 0 H LEU A 32 1.184 -5.318 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.499 -3.603 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.434 -5.093 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.379 -6.476 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.136 -5.610 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.452 -3.705 -10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.754 -3.211 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.916 -3.391 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.352 -6.010 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.772 -5.842 -9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.632 -7.187 -9.485 1.00 0.00 H new ATOM 492 N THR A 33 -1.936 -6.315 -5.310 1.00 0.00 N ATOM 493 CA THR A 33 -3.221 -6.951 -4.950 1.00 0.00 C ATOM 494 C THR A 33 -4.018 -6.068 -3.957 1.00 0.00 C ATOM 495 O THR A 33 -5.238 -5.946 -4.073 1.00 0.00 O ATOM 496 CB THR A 33 -2.988 -8.374 -4.323 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.187 -9.169 -5.213 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.313 -9.124 -4.040 1.00 0.00 C ATOM 0 H THR A 33 -1.125 -6.794 -4.920 1.00 0.00 H new ATOM 0 HA THR A 33 -3.800 -7.061 -5.867 1.00 0.00 H new ATOM 0 HB THR A 33 -2.479 -8.223 -3.371 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.277 -8.806 -5.247 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.093 -10.100 -3.608 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.917 -8.545 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.863 -9.255 -4.972 1.00 0.00 H new ATOM 506 N VAL A 34 -3.298 -5.453 -2.993 1.00 0.00 N ATOM 507 CA VAL A 34 -3.895 -4.554 -1.979 1.00 0.00 C ATOM 508 C VAL A 34 -4.590 -3.354 -2.660 1.00 0.00 C ATOM 509 O VAL A 34 -5.750 -3.050 -2.367 1.00 0.00 O ATOM 510 CB VAL A 34 -2.807 -4.049 -0.948 1.00 0.00 C ATOM 511 CG1 VAL A 34 -3.360 -2.947 -0.015 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.229 -5.230 -0.120 1.00 0.00 C ATOM 0 H VAL A 34 -2.289 -5.565 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.642 -5.124 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.998 -3.608 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.579 -2.630 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.685 -2.094 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.207 -3.339 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.484 -4.853 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.034 -5.715 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.764 -5.952 -0.791 1.00 0.00 H new ATOM 522 N LEU A 35 -3.873 -2.719 -3.596 1.00 0.00 N ATOM 523 CA LEU A 35 -4.368 -1.558 -4.359 1.00 0.00 C ATOM 524 C LEU A 35 -5.522 -1.958 -5.299 1.00 0.00 C ATOM 525 O LEU A 35 -6.405 -1.153 -5.575 1.00 0.00 O ATOM 526 CB LEU A 35 -3.219 -0.928 -5.180 1.00 0.00 C ATOM 527 CG LEU A 35 -2.002 -0.372 -4.374 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.915 0.200 -5.325 1.00 0.00 C ATOM 529 CD2 LEU A 35 -2.455 0.672 -3.322 1.00 0.00 C ATOM 0 H LEU A 35 -2.925 -2.996 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.746 -0.826 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.850 -1.678 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.633 -0.114 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.552 -1.202 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.080 0.580 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.562 -0.588 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.340 1.010 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.586 1.040 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.948 1.504 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.150 0.207 -2.623 1.00 0.00 H new ATOM 541 N SER A 36 -5.482 -3.206 -5.792 1.00 0.00 N ATOM 542 CA SER A 36 -6.535 -3.769 -6.656 1.00 0.00 C ATOM 543 C SER A 36 -7.894 -3.821 -5.925 1.00 0.00 C ATOM 544 O SER A 36 -8.934 -3.461 -6.493 1.00 0.00 O ATOM 545 CB SER A 36 -6.115 -5.181 -7.137 1.00 0.00 C ATOM 546 OG SER A 36 -7.070 -5.781 -8.002 1.00 0.00 O ATOM 0 H SER A 36 -4.718 -3.855 -5.603 1.00 0.00 H new ATOM 0 HA SER A 36 -6.657 -3.118 -7.522 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.158 -5.113 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.964 -5.824 -6.270 1.00 0.00 H new ATOM 0 HG SER A 36 -7.480 -5.092 -8.565 1.00 0.00 H new ATOM 552 N VAL A 37 -7.858 -4.251 -4.650 1.00 0.00 N ATOM 553 CA VAL A 37 -9.067 -4.415 -3.819 1.00 0.00 C ATOM 554 C VAL A 37 -9.551 -3.052 -3.267 1.00 0.00 C ATOM 555 O VAL A 37 -10.745 -2.727 -3.350 1.00 0.00 O ATOM 556 CB VAL A 37 -8.808 -5.434 -2.641 1.00 0.00 C ATOM 557 CG1 VAL A 37 -10.081 -5.651 -1.782 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.278 -6.785 -3.189 1.00 0.00 C ATOM 0 H VAL A 37 -6.993 -4.494 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.855 -4.822 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.045 -5.001 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.864 -6.358 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.395 -4.701 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.880 -6.047 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.107 -7.472 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.013 -7.215 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.342 -6.619 -3.722 1.00 0.00 H new ATOM 568 N ALA A 38 -8.598 -2.257 -2.743 1.00 0.00 N ATOM 569 CA ALA A 38 -8.878 -0.972 -2.063 1.00 0.00 C ATOM 570 C ALA A 38 -9.371 0.111 -3.048 1.00 0.00 C ATOM 571 O ALA A 38 -10.321 0.844 -2.751 1.00 0.00 O ATOM 572 CB ALA A 38 -7.624 -0.486 -1.308 1.00 0.00 C ATOM 0 H ALA A 38 -7.605 -2.488 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.682 -1.147 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.842 0.460 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.337 -1.229 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.806 -0.345 -2.014 1.00 0.00 H new ATOM 578 N SER A 39 -8.715 0.194 -4.218 1.00 0.00 N ATOM 579 CA SER A 39 -9.016 1.219 -5.245 1.00 0.00 C ATOM 580 C SER A 39 -10.059 0.712 -6.267 1.00 0.00 C ATOM 581 O SER A 39 -10.614 1.511 -7.026 1.00 0.00 O ATOM 582 CB SER A 39 -7.718 1.636 -5.961 1.00 0.00 C ATOM 583 OG SER A 39 -6.691 1.918 -5.021 1.00 0.00 O ATOM 0 H SER A 39 -7.963 -0.443 -4.483 1.00 0.00 H new ATOM 0 HA SER A 39 -9.446 2.086 -4.744 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.395 0.839 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.904 2.515 -6.578 1.00 0.00 H new ATOM 0 HG SER A 39 -5.819 1.711 -5.417 1.00 0.00 H new ATOM 589 N GLY A 40 -10.294 -0.619 -6.293 1.00 0.00 N ATOM 590 CA GLY A 40 -11.341 -1.221 -7.134 1.00 0.00 C ATOM 591 C GLY A 40 -10.961 -1.356 -8.609 1.00 0.00 C ATOM 592 O GLY A 40 -11.839 -1.438 -9.476 1.00 0.00 O ATOM 0 H GLY A 40 -9.769 -1.294 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.583 -2.208 -6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.245 -0.617 -7.057 1.00 0.00 H new ATOM 596 N VAL A 41 -9.651 -1.352 -8.893 1.00 0.00 N ATOM 597 CA VAL A 41 -9.095 -1.491 -10.255 1.00 0.00 C ATOM 598 C VAL A 41 -8.406 -2.868 -10.420 1.00 0.00 C ATOM 599 O VAL A 41 -7.987 -3.447 -9.428 1.00 0.00 O ATOM 600 CB VAL A 41 -8.050 -0.339 -10.537 1.00 0.00 C ATOM 601 CG1 VAL A 41 -8.738 1.041 -10.625 1.00 0.00 C ATOM 602 CG2 VAL A 41 -6.914 -0.321 -9.480 1.00 0.00 C ATOM 0 H VAL A 41 -8.933 -1.251 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.914 -1.416 -10.970 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.598 -0.552 -11.506 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.989 1.809 -10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.468 1.033 -11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.243 1.257 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.217 0.485 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.341 -0.161 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.386 -1.274 -9.498 1.00 0.00 H new ATOM 612 N PRO A 42 -8.327 -3.440 -11.665 1.00 0.00 N ATOM 613 CA PRO A 42 -7.431 -4.589 -11.961 1.00 0.00 C ATOM 614 C PRO A 42 -5.949 -4.283 -11.627 1.00 0.00 C ATOM 615 O PRO A 42 -5.512 -3.124 -11.693 1.00 0.00 O ATOM 616 CB PRO A 42 -7.620 -4.824 -13.487 1.00 0.00 C ATOM 617 CG PRO A 42 -8.983 -4.265 -13.782 1.00 0.00 C ATOM 618 CD PRO A 42 -9.166 -3.086 -12.841 1.00 0.00 C ATOM 0 HA PRO A 42 -7.678 -5.462 -11.357 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.848 -4.317 -14.066 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.562 -5.883 -13.737 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.058 -3.949 -14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.756 -5.016 -13.621 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.839 -2.153 -13.300 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.212 -2.955 -12.562 1.00 0.00 H new ATOM 626 N LYS A 43 -5.189 -5.344 -11.296 1.00 0.00 N ATOM 627 CA LYS A 43 -3.740 -5.258 -10.998 1.00 0.00 C ATOM 628 C LYS A 43 -2.938 -4.794 -12.236 1.00 0.00 C ATOM 629 O LYS A 43 -1.871 -4.190 -12.108 1.00 0.00 O ATOM 630 CB LYS A 43 -3.226 -6.646 -10.521 1.00 0.00 C ATOM 631 CG LYS A 43 -3.927 -7.189 -9.247 1.00 0.00 C ATOM 632 CD LYS A 43 -3.422 -8.584 -8.799 1.00 0.00 C ATOM 633 CE LYS A 43 -1.934 -8.598 -8.425 1.00 0.00 C ATOM 634 NZ LYS A 43 -1.514 -9.916 -7.893 1.00 0.00 N ATOM 0 H LYS A 43 -5.561 -6.291 -11.226 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.594 -4.520 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.359 -7.366 -11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.155 -6.577 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.778 -6.481 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.000 -7.243 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.008 -8.917 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.595 -9.301 -9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.336 -8.353 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.739 -7.826 -7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.512 -10.079 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.641 -9.930 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.093 -10.665 -8.323 1.00 0.00 H new ATOM 648 N GLU A 44 -3.499 -5.076 -13.429 1.00 0.00 N ATOM 649 CA GLU A 44 -2.866 -4.790 -14.729 1.00 0.00 C ATOM 650 C GLU A 44 -2.930 -3.291 -15.072 1.00 0.00 C ATOM 651 O GLU A 44 -2.137 -2.816 -15.894 1.00 0.00 O ATOM 652 CB GLU A 44 -3.521 -5.635 -15.863 1.00 0.00 C ATOM 653 CG GLU A 44 -3.347 -7.175 -15.734 1.00 0.00 C ATOM 654 CD GLU A 44 -4.086 -7.794 -14.527 1.00 0.00 C ATOM 655 OE1 GLU A 44 -5.321 -7.650 -14.445 1.00 0.00 O ATOM 656 OE2 GLU A 44 -3.443 -8.424 -13.660 1.00 0.00 O ATOM 0 H GLU A 44 -4.416 -5.514 -13.516 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.816 -5.070 -14.648 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.587 -5.408 -15.892 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.101 -5.318 -16.818 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.706 -7.648 -16.648 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.285 -7.404 -15.652 1.00 0.00 H new ATOM 663 N GLU A 45 -3.859 -2.551 -14.423 1.00 0.00 N ATOM 664 CA GLU A 45 -3.986 -1.086 -14.597 1.00 0.00 C ATOM 665 C GLU A 45 -2.790 -0.388 -13.942 1.00 0.00 C ATOM 666 O GLU A 45 -2.274 0.620 -14.443 1.00 0.00 O ATOM 667 CB GLU A 45 -5.301 -0.554 -13.954 1.00 0.00 C ATOM 668 CG GLU A 45 -6.590 -1.168 -14.513 1.00 0.00 C ATOM 669 CD GLU A 45 -6.763 -0.938 -16.020 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.127 0.183 -16.421 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.533 -1.870 -16.813 1.00 0.00 O ATOM 0 H GLU A 45 -4.535 -2.948 -13.771 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.011 -0.872 -15.665 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.264 -0.740 -12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.343 0.527 -14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.591 -2.239 -14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.445 -0.744 -13.986 1.00 0.00 H new ATOM 678 N ILE A 46 -2.366 -0.962 -12.811 1.00 0.00 N ATOM 679 CA ILE A 46 -1.254 -0.457 -12.014 1.00 0.00 C ATOM 680 C ILE A 46 0.046 -1.134 -12.489 1.00 0.00 C ATOM 681 O ILE A 46 0.430 -2.213 -12.014 1.00 0.00 O ATOM 682 CB ILE A 46 -1.517 -0.711 -10.488 1.00 0.00 C ATOM 683 CG1 ILE A 46 -2.927 -0.173 -10.077 1.00 0.00 C ATOM 684 CG2 ILE A 46 -0.399 -0.086 -9.612 1.00 0.00 C ATOM 685 CD1 ILE A 46 -3.340 -0.518 -8.665 1.00 0.00 C ATOM 0 H ILE A 46 -2.795 -1.802 -12.422 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.156 0.620 -12.148 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.501 -1.787 -10.316 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.936 0.911 -10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.670 -0.572 -10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.610 -0.279 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.561 -0.529 -9.877 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.362 0.990 -9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.329 -0.106 -8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.367 -1.601 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.622 -0.095 -7.962 1.00 0.00 H new ATOM 697 N SER A 47 0.699 -0.503 -13.472 1.00 0.00 N ATOM 698 CA SER A 47 1.935 -1.016 -14.096 1.00 0.00 C ATOM 699 C SER A 47 3.182 -0.413 -13.412 1.00 0.00 C ATOM 700 O SER A 47 4.259 -0.351 -14.020 1.00 0.00 O ATOM 701 CB SER A 47 1.887 -0.668 -15.606 1.00 0.00 C ATOM 702 OG SER A 47 0.680 -1.139 -16.206 1.00 0.00 O ATOM 0 H SER A 47 0.386 0.385 -13.863 1.00 0.00 H new ATOM 0 HA SER A 47 2.003 -2.097 -13.974 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.964 0.412 -15.736 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.745 -1.111 -16.112 1.00 0.00 H new ATOM 0 HG SER A 47 0.675 -0.905 -17.158 1.00 0.00 H new ATOM 708 N ARG A 48 3.015 -0.031 -12.119 1.00 0.00 N ATOM 709 CA ARG A 48 3.964 0.773 -11.317 1.00 0.00 C ATOM 710 C ARG A 48 3.924 2.240 -11.759 1.00 0.00 C ATOM 711 O ARG A 48 3.830 3.131 -10.910 1.00 0.00 O ATOM 712 CB ARG A 48 5.419 0.193 -11.272 1.00 0.00 C ATOM 713 CG ARG A 48 5.619 -0.949 -10.246 1.00 0.00 C ATOM 714 CD ARG A 48 4.750 -2.198 -10.506 1.00 0.00 C ATOM 715 NE ARG A 48 5.242 -3.000 -11.645 1.00 0.00 N ATOM 716 CZ ARG A 48 5.744 -4.240 -11.549 1.00 0.00 C ATOM 717 NH1 ARG A 48 5.848 -4.843 -10.379 1.00 0.00 N ATOM 718 NH2 ARG A 48 6.154 -4.873 -12.631 1.00 0.00 N ATOM 0 H ARG A 48 2.182 -0.287 -11.589 1.00 0.00 H new ATOM 0 HA ARG A 48 3.627 0.717 -10.282 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.681 -0.175 -12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.112 1.001 -11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.668 -1.244 -10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.398 -0.568 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.732 -2.818 -9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.723 -1.889 -10.700 1.00 0.00 H new ATOM 0 HE ARG A 48 5.197 -2.580 -12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.544 -4.366 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.232 -5.786 -10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.090 -4.420 -13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.536 -5.816 -12.556 1.00 0.00 H new ATOM 732 N ASP A 49 3.997 2.482 -13.083 1.00 0.00 N ATOM 733 CA ASP A 49 3.655 3.778 -13.695 1.00 0.00 C ATOM 734 C ASP A 49 2.155 4.087 -13.459 1.00 0.00 C ATOM 735 O ASP A 49 1.292 3.783 -14.299 1.00 0.00 O ATOM 736 CB ASP A 49 4.010 3.769 -15.215 1.00 0.00 C ATOM 737 CG ASP A 49 3.545 5.037 -15.972 1.00 0.00 C ATOM 738 OD1 ASP A 49 4.060 6.136 -15.687 1.00 0.00 O ATOM 739 OD2 ASP A 49 2.637 4.939 -16.830 1.00 0.00 O ATOM 0 H ASP A 49 4.296 1.780 -13.759 1.00 0.00 H new ATOM 0 HA ASP A 49 4.241 4.569 -13.227 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.089 3.666 -15.326 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.557 2.893 -15.679 1.00 0.00 H new ATOM 744 N SER A 50 1.864 4.622 -12.259 1.00 0.00 N ATOM 745 CA SER A 50 0.506 4.939 -11.795 1.00 0.00 C ATOM 746 C SER A 50 0.592 5.954 -10.633 1.00 0.00 C ATOM 747 O SER A 50 1.599 6.010 -9.904 1.00 0.00 O ATOM 748 CB SER A 50 -0.248 3.655 -11.336 1.00 0.00 C ATOM 749 OG SER A 50 -0.367 2.698 -12.372 1.00 0.00 O ATOM 0 H SER A 50 2.583 4.850 -11.573 1.00 0.00 H new ATOM 0 HA SER A 50 -0.055 5.373 -12.623 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.280 3.209 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.242 3.928 -10.982 1.00 0.00 H new ATOM 0 HG SER A 50 -1.300 2.650 -12.667 1.00 0.00 H new ATOM 755 N ARG A 51 -0.483 6.739 -10.467 1.00 0.00 N ATOM 756 CA ARG A 51 -0.572 7.819 -9.462 1.00 0.00 C ATOM 757 C ARG A 51 -1.397 7.346 -8.256 1.00 0.00 C ATOM 758 O ARG A 51 -2.467 6.754 -8.436 1.00 0.00 O ATOM 759 CB ARG A 51 -1.231 9.070 -10.109 1.00 0.00 C ATOM 760 CG ARG A 51 -0.454 9.648 -11.314 1.00 0.00 C ATOM 761 CD ARG A 51 0.888 10.287 -10.913 1.00 0.00 C ATOM 762 NE ARG A 51 0.685 11.471 -10.063 1.00 0.00 N ATOM 763 CZ ARG A 51 1.650 12.307 -9.650 1.00 0.00 C ATOM 764 NH1 ARG A 51 2.928 12.117 -9.982 1.00 0.00 N ATOM 765 NH2 ARG A 51 1.338 13.346 -8.902 1.00 0.00 N ATOM 0 H ARG A 51 -1.327 6.644 -11.032 1.00 0.00 H new ATOM 0 HA ARG A 51 0.429 8.079 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.238 8.809 -10.433 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.331 9.846 -9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.270 8.853 -12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.071 10.395 -11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.497 9.556 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.440 10.571 -11.809 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.269 11.673 -9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.191 11.321 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.642 12.768 -9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.366 13.512 -8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.068 13.984 -8.586 1.00 0.00 H new ATOM 779 N MET A 52 -0.913 7.645 -7.027 1.00 0.00 N ATOM 780 CA MET A 52 -1.600 7.249 -5.768 1.00 0.00 C ATOM 781 C MET A 52 -2.735 8.221 -5.412 1.00 0.00 C ATOM 782 O MET A 52 -3.327 8.091 -4.351 1.00 0.00 O ATOM 783 CB MET A 52 -0.606 7.152 -4.571 1.00 0.00 C ATOM 784 CG MET A 52 0.620 6.292 -4.848 1.00 0.00 C ATOM 785 SD MET A 52 0.233 4.659 -5.511 1.00 0.00 S ATOM 786 CE MET A 52 -0.268 3.758 -4.058 1.00 0.00 C ATOM 0 H MET A 52 -0.046 8.161 -6.878 1.00 0.00 H new ATOM 0 HA MET A 52 -2.025 6.262 -5.949 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.279 8.156 -4.302 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.133 6.747 -3.707 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.267 6.815 -5.552 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.185 6.173 -3.923 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.117 2.740 -4.111 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.129 4.250 -3.170 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.356 3.732 -4.003 1.00 0.00 H new ATOM 796 N GLU A 53 -3.039 9.179 -6.310 1.00 0.00 N ATOM 797 CA GLU A 53 -4.103 10.184 -6.102 1.00 0.00 C ATOM 798 C GLU A 53 -5.484 9.515 -5.962 1.00 0.00 C ATOM 799 O GLU A 53 -6.356 10.006 -5.244 1.00 0.00 O ATOM 800 CB GLU A 53 -4.068 11.217 -7.249 1.00 0.00 C ATOM 801 CG GLU A 53 -2.715 11.952 -7.372 1.00 0.00 C ATOM 802 CD GLU A 53 -2.673 12.942 -8.536 1.00 0.00 C ATOM 803 OE1 GLU A 53 -3.173 14.079 -8.379 1.00 0.00 O ATOM 804 OE2 GLU A 53 -2.151 12.591 -9.615 1.00 0.00 O ATOM 0 H GLU A 53 -2.554 9.279 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.921 10.710 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.285 10.711 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.859 11.951 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.512 12.484 -6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.920 11.217 -7.499 1.00 0.00 H new ATOM 811 N ASP A 54 -5.646 8.376 -6.642 1.00 0.00 N ATOM 812 CA ASP A 54 -6.787 7.462 -6.435 1.00 0.00 C ATOM 813 C ASP A 54 -6.357 6.308 -5.508 1.00 0.00 C ATOM 814 O ASP A 54 -7.061 5.964 -4.549 1.00 0.00 O ATOM 815 CB ASP A 54 -7.267 6.902 -7.806 1.00 0.00 C ATOM 816 CG ASP A 54 -8.447 5.910 -7.690 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.596 6.366 -7.477 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.233 4.679 -7.782 1.00 0.00 O ATOM 0 H ASP A 54 -4.991 8.056 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.611 8.004 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.564 7.734 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.432 6.404 -8.298 1.00 0.00 H new ATOM 823 N LEU A 55 -5.149 5.775 -5.778 1.00 0.00 N ATOM 824 CA LEU A 55 -4.694 4.464 -5.260 1.00 0.00 C ATOM 825 C LEU A 55 -4.275 4.471 -3.767 1.00 0.00 C ATOM 826 O LEU A 55 -4.088 3.392 -3.199 1.00 0.00 O ATOM 827 CB LEU A 55 -3.525 3.925 -6.132 1.00 0.00 C ATOM 828 CG LEU A 55 -3.790 3.854 -7.674 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.535 3.365 -8.423 1.00 0.00 C ATOM 830 CD2 LEU A 55 -5.024 2.979 -8.018 1.00 0.00 C ATOM 0 H LEU A 55 -4.457 6.242 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.561 3.806 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.652 4.555 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.269 2.925 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.018 4.866 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.743 3.324 -9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.710 4.054 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.263 2.371 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.167 2.960 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.862 1.964 -7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.911 3.397 -7.542 1.00 0.00 H new ATOM 842 N ALA A 56 -4.127 5.666 -3.141 1.00 0.00 N ATOM 843 CA ALA A 56 -3.693 5.788 -1.711 1.00 0.00 C ATOM 844 C ALA A 56 -3.842 7.211 -1.137 1.00 0.00 C ATOM 845 O ALA A 56 -3.295 7.496 -0.065 1.00 0.00 O ATOM 846 CB ALA A 56 -2.234 5.316 -1.538 1.00 0.00 C ATOM 0 H ALA A 56 -4.300 6.562 -3.597 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.366 5.143 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.941 5.414 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.151 4.273 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.578 5.928 -2.157 1.00 0.00 H new ATOM 852 N PHE A 57 -4.569 8.107 -1.826 1.00 0.00 N ATOM 853 CA PHE A 57 -4.772 9.507 -1.338 1.00 0.00 C ATOM 854 C PHE A 57 -6.207 9.752 -0.847 1.00 0.00 C ATOM 855 O PHE A 57 -6.445 10.708 -0.090 1.00 0.00 O ATOM 856 CB PHE A 57 -4.360 10.559 -2.422 1.00 0.00 C ATOM 857 CG PHE A 57 -2.960 11.159 -2.251 1.00 0.00 C ATOM 858 CD1 PHE A 57 -2.619 11.817 -1.071 1.00 0.00 C ATOM 859 CD2 PHE A 57 -2.005 11.109 -3.272 1.00 0.00 C ATOM 860 CE1 PHE A 57 -1.380 12.398 -0.920 1.00 0.00 C ATOM 861 CE2 PHE A 57 -0.761 11.686 -3.116 1.00 0.00 C ATOM 862 CZ PHE A 57 -0.449 12.334 -1.938 1.00 0.00 C ATOM 0 H PHE A 57 -5.027 7.903 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.114 9.635 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.418 10.088 -3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.089 11.370 -2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.336 11.872 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.246 10.610 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.135 12.907 0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.034 11.631 -3.913 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.522 12.790 -1.813 1.00 0.00 H new ATOM 872 N ASP A 58 -7.149 8.907 -1.278 1.00 0.00 N ATOM 873 CA ASP A 58 -8.541 8.955 -0.792 1.00 0.00 C ATOM 874 C ASP A 58 -8.572 8.469 0.663 1.00 0.00 C ATOM 875 O ASP A 58 -7.955 7.455 0.957 1.00 0.00 O ATOM 876 CB ASP A 58 -9.451 8.083 -1.691 1.00 0.00 C ATOM 877 CG ASP A 58 -10.885 7.979 -1.158 1.00 0.00 C ATOM 878 OD1 ASP A 58 -11.646 8.956 -1.288 1.00 0.00 O ATOM 879 OD2 ASP A 58 -11.240 6.939 -0.561 1.00 0.00 O ATOM 0 H ASP A 58 -6.976 8.175 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.917 9.977 -0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.471 8.503 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.024 7.083 -1.772 1.00 0.00 H new ATOM 884 N SER A 59 -9.309 9.180 1.541 1.00 0.00 N ATOM 885 CA SER A 59 -9.317 8.934 3.006 1.00 0.00 C ATOM 886 C SER A 59 -9.651 7.474 3.380 1.00 0.00 C ATOM 887 O SER A 59 -9.094 6.932 4.341 1.00 0.00 O ATOM 888 CB SER A 59 -10.331 9.882 3.667 1.00 0.00 C ATOM 889 OG SER A 59 -10.051 11.232 3.345 1.00 0.00 O ATOM 0 H SER A 59 -9.920 9.946 1.257 1.00 0.00 H new ATOM 0 HA SER A 59 -8.307 9.124 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.339 9.628 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.306 9.750 4.749 1.00 0.00 H new ATOM 0 HG SER A 59 -10.711 11.815 3.776 1.00 0.00 H new ATOM 895 N LEU A 60 -10.554 6.850 2.598 1.00 0.00 N ATOM 896 CA LEU A 60 -10.968 5.452 2.819 1.00 0.00 C ATOM 897 C LEU A 60 -9.813 4.508 2.459 1.00 0.00 C ATOM 898 O LEU A 60 -9.552 3.545 3.175 1.00 0.00 O ATOM 899 CB LEU A 60 -12.241 5.084 1.995 1.00 0.00 C ATOM 900 CG LEU A 60 -13.599 5.746 2.440 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.600 7.286 2.273 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.797 5.112 1.686 1.00 0.00 C ATOM 0 H LEU A 60 -11.012 7.296 1.803 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.220 5.340 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.059 5.351 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.365 4.002 2.029 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.707 5.545 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.561 7.686 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.805 7.718 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.435 7.539 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.723 5.586 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.671 5.259 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.840 4.045 1.903 1.00 0.00 H new ATOM 914 N VAL A 61 -9.119 4.828 1.346 1.00 0.00 N ATOM 915 CA VAL A 61 -7.990 4.020 0.842 1.00 0.00 C ATOM 916 C VAL A 61 -6.755 4.157 1.751 1.00 0.00 C ATOM 917 O VAL A 61 -6.039 3.189 1.941 1.00 0.00 O ATOM 918 CB VAL A 61 -7.600 4.381 -0.645 1.00 0.00 C ATOM 919 CG1 VAL A 61 -6.563 3.380 -1.211 1.00 0.00 C ATOM 920 CG2 VAL A 61 -8.852 4.428 -1.547 1.00 0.00 C ATOM 0 H VAL A 61 -9.324 5.648 0.775 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.331 2.985 0.854 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.145 5.371 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.314 3.655 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.661 3.406 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.983 2.374 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.557 4.679 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.342 3.454 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.542 5.184 -1.173 1.00 0.00 H new ATOM 930 N VAL A 62 -6.529 5.364 2.315 1.00 0.00 N ATOM 931 CA VAL A 62 -5.407 5.622 3.254 1.00 0.00 C ATOM 932 C VAL A 62 -5.599 4.783 4.525 1.00 0.00 C ATOM 933 O VAL A 62 -4.661 4.151 5.008 1.00 0.00 O ATOM 934 CB VAL A 62 -5.297 7.148 3.670 1.00 0.00 C ATOM 935 CG1 VAL A 62 -4.115 7.399 4.654 1.00 0.00 C ATOM 936 CG2 VAL A 62 -5.175 8.067 2.435 1.00 0.00 C ATOM 0 H VAL A 62 -7.111 6.182 2.137 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.489 5.348 2.735 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.223 7.397 4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.076 8.457 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.263 6.809 5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.178 7.107 4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.102 9.105 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.282 7.800 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.055 7.946 1.803 1.00 0.00 H new ATOM 946 N SER A 63 -6.841 4.786 5.029 1.00 0.00 N ATOM 947 CA SER A 63 -7.221 4.068 6.248 1.00 0.00 C ATOM 948 C SER A 63 -7.185 2.545 6.023 1.00 0.00 C ATOM 949 O SER A 63 -6.769 1.798 6.908 1.00 0.00 O ATOM 950 CB SER A 63 -8.623 4.529 6.705 1.00 0.00 C ATOM 951 OG SER A 63 -8.967 4.005 7.980 1.00 0.00 O ATOM 0 H SER A 63 -7.614 5.292 4.597 1.00 0.00 H new ATOM 0 HA SER A 63 -6.502 4.299 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.653 5.618 6.741 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.365 4.214 5.971 1.00 0.00 H new ATOM 0 HG SER A 63 -9.859 4.321 8.234 1.00 0.00 H new ATOM 957 N GLU A 64 -7.607 2.110 4.820 1.00 0.00 N ATOM 958 CA GLU A 64 -7.662 0.679 4.433 1.00 0.00 C ATOM 959 C GLU A 64 -6.248 0.130 4.166 1.00 0.00 C ATOM 960 O GLU A 64 -5.966 -1.024 4.467 1.00 0.00 O ATOM 961 CB GLU A 64 -8.546 0.499 3.164 1.00 0.00 C ATOM 962 CG GLU A 64 -8.853 -0.969 2.774 1.00 0.00 C ATOM 963 CD GLU A 64 -9.765 -1.693 3.789 1.00 0.00 C ATOM 964 OE1 GLU A 64 -10.998 -1.503 3.722 1.00 0.00 O ATOM 965 OE2 GLU A 64 -9.266 -2.445 4.659 1.00 0.00 O ATOM 0 H GLU A 64 -7.922 2.741 4.083 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.102 0.120 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.490 1.021 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.050 0.985 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.328 -0.985 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.915 -1.517 2.683 1.00 0.00 H new ATOM 972 N LEU A 65 -5.380 0.988 3.602 1.00 0.00 N ATOM 973 CA LEU A 65 -3.978 0.654 3.271 1.00 0.00 C ATOM 974 C LEU A 65 -3.151 0.574 4.562 1.00 0.00 C ATOM 975 O LEU A 65 -2.329 -0.320 4.722 1.00 0.00 O ATOM 976 CB LEU A 65 -3.381 1.716 2.302 1.00 0.00 C ATOM 977 CG LEU A 65 -1.920 1.481 1.786 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.788 0.153 1.000 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.446 2.680 0.929 1.00 0.00 C ATOM 0 H LEU A 65 -5.633 1.946 3.359 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.949 -0.314 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.037 1.787 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.410 2.683 2.803 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.274 1.401 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.759 0.031 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.058 -0.681 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.454 0.173 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.430 2.498 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.108 2.799 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.466 3.588 1.531 1.00 0.00 H new ATOM 991 N SER A 66 -3.404 1.525 5.482 1.00 0.00 N ATOM 992 CA SER A 66 -2.805 1.539 6.834 1.00 0.00 C ATOM 993 C SER A 66 -3.202 0.262 7.594 1.00 0.00 C ATOM 994 O SER A 66 -2.356 -0.391 8.203 1.00 0.00 O ATOM 995 CB SER A 66 -3.260 2.810 7.599 1.00 0.00 C ATOM 996 OG SER A 66 -2.628 2.933 8.865 1.00 0.00 O ATOM 0 H SER A 66 -4.032 2.310 5.309 1.00 0.00 H new ATOM 0 HA SER A 66 -1.718 1.562 6.751 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.039 3.692 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.341 2.781 7.736 1.00 0.00 H new ATOM 0 HG SER A 66 -2.943 3.747 9.310 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.496 -0.099 7.475 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.092 -1.307 8.077 1.00 0.00 C ATOM 1004 C LEU A 67 -4.476 -2.581 7.463 1.00 0.00 C ATOM 1005 O LEU A 67 -4.191 -3.552 8.178 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.645 -1.241 7.867 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.547 -2.329 8.568 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -8.985 -1.805 8.791 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -7.595 -3.666 7.779 1.00 0.00 C ATOM 0 H LEU A 67 -5.170 0.454 6.946 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.880 -1.347 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.984 -0.262 8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.837 -1.292 6.795 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.082 -2.529 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.583 -2.577 9.276 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.955 -0.918 9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.432 -1.550 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.230 -4.378 8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.001 -3.487 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.588 -4.073 7.692 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.262 -2.547 6.132 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.847 -3.722 5.355 1.00 0.00 C ATOM 1023 C LYS A 68 -2.392 -4.066 5.655 1.00 0.00 C ATOM 1024 O LYS A 68 -2.103 -5.162 6.104 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.049 -3.477 3.824 1.00 0.00 C ATOM 1026 CG LYS A 68 -4.340 -4.758 3.003 1.00 0.00 C ATOM 1027 CD LYS A 68 -5.691 -5.410 3.386 1.00 0.00 C ATOM 1028 CE LYS A 68 -6.877 -4.433 3.252 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.161 -5.028 3.701 1.00 0.00 N ATOM 0 H LYS A 68 -4.373 -1.703 5.570 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.473 -4.565 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.873 -2.777 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.155 -2.999 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.346 -4.512 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.536 -5.477 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.865 -6.278 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.638 -5.773 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.672 -3.536 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.970 -4.121 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.773 -4.282 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.636 -5.479 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.975 -5.740 4.436 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.498 -3.086 5.443 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.045 -3.241 5.674 1.00 0.00 C ATOM 1045 C LEU A 69 0.249 -3.640 7.131 1.00 0.00 C ATOM 1046 O LEU A 69 1.175 -4.403 7.393 1.00 0.00 O ATOM 1047 CB LEU A 69 0.688 -1.921 5.314 1.00 0.00 C ATOM 1048 CG LEU A 69 0.520 -1.425 3.839 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.214 -0.055 3.622 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.012 -2.486 2.819 1.00 0.00 C ATOM 0 H LEU A 69 -1.760 -2.160 5.106 1.00 0.00 H new ATOM 0 HA LEU A 69 0.322 -4.041 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.333 -1.137 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.751 -2.053 5.513 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.546 -1.282 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.079 0.262 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.773 0.686 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.279 -0.148 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.879 -2.106 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.067 -2.696 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.435 -3.403 2.941 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.581 -3.112 8.051 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.544 -3.410 9.501 1.00 0.00 C ATOM 1064 C ARG A 70 -0.744 -4.915 9.794 1.00 0.00 C ATOM 1065 O ARG A 70 -0.159 -5.454 10.741 1.00 0.00 O ATOM 1066 CB ARG A 70 -1.644 -2.566 10.193 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.730 -2.661 11.728 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.796 -1.714 12.304 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.750 -1.675 13.773 1.00 0.00 N ATOM 1070 CZ ARG A 70 -3.428 -0.810 14.545 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -4.274 0.064 14.018 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -3.253 -0.831 15.856 1.00 0.00 N ATOM 0 H ARG A 70 -1.316 -2.449 7.803 1.00 0.00 H new ATOM 0 HA ARG A 70 0.440 -3.151 9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.489 -1.521 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.609 -2.861 9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.962 -3.686 12.015 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.759 -2.421 12.161 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.643 -0.710 11.908 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.785 -2.038 11.979 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.156 -2.359 14.243 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.420 0.088 13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.779 0.713 14.622 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.607 -1.501 16.274 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.764 -0.177 16.449 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.579 -5.579 8.980 1.00 0.00 N ATOM 1087 CA LYS A 71 -1.893 -7.013 9.147 1.00 0.00 C ATOM 1088 C LYS A 71 -0.960 -7.876 8.259 1.00 0.00 C ATOM 1089 O LYS A 71 -0.246 -8.746 8.771 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.409 -7.248 8.831 1.00 0.00 C ATOM 1091 CG LYS A 71 -3.973 -8.663 9.189 1.00 0.00 C ATOM 1092 CD LYS A 71 -3.705 -9.744 8.105 1.00 0.00 C ATOM 1093 CE LYS A 71 -4.187 -11.148 8.496 1.00 0.00 C ATOM 1094 NZ LYS A 71 -3.411 -11.696 9.630 1.00 0.00 N ATOM 0 H LYS A 71 -2.055 -5.143 8.190 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.715 -7.320 10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.992 -6.500 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.569 -7.073 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.532 -8.991 10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.048 -8.584 9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.197 -9.446 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.635 -9.782 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.243 -11.109 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.099 -11.815 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.695 -12.682 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.396 -11.662 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.596 -11.130 10.483 1.00 0.00 H new ATOM 1108 N GLU A 72 -0.995 -7.624 6.933 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.238 -8.388 5.907 1.00 0.00 C ATOM 1110 C GLU A 72 1.274 -8.450 6.219 1.00 0.00 C ATOM 1111 O GLU A 72 1.897 -9.506 6.100 1.00 0.00 O ATOM 1112 CB GLU A 72 -0.435 -7.759 4.485 1.00 0.00 C ATOM 1113 CG GLU A 72 -1.894 -7.533 4.033 1.00 0.00 C ATOM 1114 CD GLU A 72 -2.743 -8.808 4.010 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -2.582 -9.621 3.080 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.579 -9.005 4.912 1.00 0.00 O ATOM 0 H GLU A 72 -1.558 -6.873 6.535 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.636 -9.402 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.083 -6.800 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.053 -8.404 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.362 -6.809 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.891 -7.093 3.036 1.00 0.00 H new ATOM 1123 N PHE A 73 1.848 -7.298 6.613 1.00 0.00 N ATOM 1124 CA PHE A 73 3.311 -7.144 6.812 1.00 0.00 C ATOM 1125 C PHE A 73 3.664 -6.774 8.265 1.00 0.00 C ATOM 1126 O PHE A 73 4.763 -7.080 8.731 1.00 0.00 O ATOM 1127 CB PHE A 73 3.862 -6.050 5.865 1.00 0.00 C ATOM 1128 CG PHE A 73 3.731 -6.378 4.382 1.00 0.00 C ATOM 1129 CD1 PHE A 73 2.585 -6.036 3.672 1.00 0.00 C ATOM 1130 CD2 PHE A 73 4.757 -7.035 3.705 1.00 0.00 C ATOM 1131 CE1 PHE A 73 2.471 -6.338 2.335 1.00 0.00 C ATOM 1132 CE2 PHE A 73 4.643 -7.334 2.367 1.00 0.00 C ATOM 1133 CZ PHE A 73 3.504 -6.990 1.683 1.00 0.00 C ATOM 0 H PHE A 73 1.318 -6.448 6.803 1.00 0.00 H new ATOM 0 HA PHE A 73 3.769 -8.107 6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.339 -5.115 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.914 -5.882 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.776 -5.528 4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.654 -7.313 4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.576 -6.067 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.449 -7.839 1.855 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.413 -7.228 0.634 1.00 0.00 H new ATOM 1143 N GLY A 74 2.734 -6.112 8.970 1.00 0.00 N ATOM 1144 CA GLY A 74 3.015 -5.517 10.286 1.00 0.00 C ATOM 1145 C GLY A 74 3.468 -4.060 10.187 1.00 0.00 C ATOM 1146 O GLY A 74 3.864 -3.459 11.194 1.00 0.00 O ATOM 0 H GLY A 74 1.776 -5.975 8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.120 -5.574 10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.787 -6.101 10.787 1.00 0.00 H new ATOM 1150 N VAL A 75 3.400 -3.502 8.959 1.00 0.00 N ATOM 1151 CA VAL A 75 3.764 -2.106 8.664 1.00 0.00 C ATOM 1152 C VAL A 75 2.637 -1.162 9.162 1.00 0.00 C ATOM 1153 O VAL A 75 1.658 -0.890 8.450 1.00 0.00 O ATOM 1154 CB VAL A 75 4.049 -1.927 7.113 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.353 -0.466 6.727 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.198 -2.851 6.655 1.00 0.00 C ATOM 0 H VAL A 75 3.086 -4.018 8.137 1.00 0.00 H new ATOM 0 HA VAL A 75 4.681 -1.844 9.191 1.00 0.00 H new ATOM 0 HB VAL A 75 3.133 -2.212 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.540 -0.404 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.501 0.163 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.234 -0.122 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.375 -2.710 5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.104 -2.606 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.927 -3.890 6.844 1.00 0.00 H new ATOM 1166 N THR A 76 2.769 -0.719 10.424 1.00 0.00 N ATOM 1167 CA THR A 76 1.755 0.093 11.128 1.00 0.00 C ATOM 1168 C THR A 76 2.296 1.498 11.448 1.00 0.00 C ATOM 1169 O THR A 76 3.511 1.738 11.388 1.00 0.00 O ATOM 1170 CB THR A 76 1.303 -0.620 12.450 1.00 0.00 C ATOM 1171 OG1 THR A 76 0.237 0.112 13.078 1.00 0.00 O ATOM 1172 CG2 THR A 76 2.463 -0.799 13.452 1.00 0.00 C ATOM 0 H THR A 76 3.592 -0.916 10.993 1.00 0.00 H new ATOM 0 HA THR A 76 0.894 0.198 10.468 1.00 0.00 H new ATOM 0 HB THR A 76 0.954 -1.612 12.165 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.035 -0.347 13.900 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.095 -1.297 14.349 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.247 -1.404 12.996 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.867 0.177 13.719 1.00 0.00 H new ATOM 1180 N GLY A 77 1.368 2.422 11.776 1.00 0.00 N ATOM 1181 CA GLY A 77 1.707 3.807 12.118 1.00 0.00 C ATOM 1182 C GLY A 77 2.345 4.576 10.965 1.00 0.00 C ATOM 1183 O GLY A 77 3.032 5.571 11.188 1.00 0.00 O ATOM 0 H GLY A 77 0.368 2.223 11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.803 4.327 12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.390 3.807 12.967 1.00 0.00 H new ATOM 1187 N VAL A 78 2.114 4.105 9.729 1.00 0.00 N ATOM 1188 CA VAL A 78 2.690 4.695 8.497 1.00 0.00 C ATOM 1189 C VAL A 78 1.695 5.638 7.801 1.00 0.00 C ATOM 1190 O VAL A 78 1.943 6.057 6.686 1.00 0.00 O ATOM 1191 CB VAL A 78 3.168 3.569 7.503 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.372 2.799 8.088 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.000 2.608 7.128 1.00 0.00 C ATOM 0 H VAL A 78 1.518 3.297 9.549 1.00 0.00 H new ATOM 0 HA VAL A 78 3.556 5.285 8.795 1.00 0.00 H new ATOM 0 HB VAL A 78 3.495 4.050 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.686 2.027 7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.197 3.490 8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.084 2.336 9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.364 1.844 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.616 2.132 8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.202 3.175 6.649 1.00 0.00 H new ATOM 1203 N ASP A 79 0.617 6.006 8.522 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.479 6.885 8.043 1.00 0.00 C ATOM 1205 C ASP A 79 0.052 8.181 7.377 1.00 0.00 C ATOM 1206 O ASP A 79 -0.330 8.519 6.242 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.383 7.207 9.260 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.456 8.269 8.988 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -3.505 7.926 8.402 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -2.251 9.450 9.355 1.00 0.00 O ATOM 0 H ASP A 79 0.477 5.693 9.483 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.047 6.370 7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.872 6.289 9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.755 7.545 10.084 1.00 0.00 H new ATOM 1215 N ASP A 80 0.954 8.873 8.102 1.00 0.00 N ATOM 1216 CA ASP A 80 1.643 10.090 7.617 1.00 0.00 C ATOM 1217 C ASP A 80 2.407 9.807 6.317 1.00 0.00 C ATOM 1218 O ASP A 80 2.236 10.509 5.317 1.00 0.00 O ATOM 1219 CB ASP A 80 2.606 10.616 8.721 1.00 0.00 C ATOM 1220 CG ASP A 80 3.610 11.688 8.239 1.00 0.00 C ATOM 1221 OD1 ASP A 80 3.184 12.811 7.910 1.00 0.00 O ATOM 1222 OD2 ASP A 80 4.831 11.417 8.208 1.00 0.00 O ATOM 0 H ASP A 80 1.228 8.603 9.047 1.00 0.00 H new ATOM 0 HA ASP A 80 0.898 10.855 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.012 11.032 9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.163 9.773 9.131 1.00 0.00 H new ATOM 1227 N GLU A 81 3.211 8.734 6.360 1.00 0.00 N ATOM 1228 CA GLU A 81 4.080 8.305 5.249 1.00 0.00 C ATOM 1229 C GLU A 81 3.273 7.917 3.990 1.00 0.00 C ATOM 1230 O GLU A 81 3.757 8.101 2.874 1.00 0.00 O ATOM 1231 CB GLU A 81 4.967 7.125 5.721 1.00 0.00 C ATOM 1232 CG GLU A 81 5.918 7.467 6.892 1.00 0.00 C ATOM 1233 CD GLU A 81 6.616 6.228 7.481 1.00 0.00 C ATOM 1234 OE1 GLU A 81 7.577 5.732 6.868 1.00 0.00 O ATOM 1235 OE2 GLU A 81 6.187 5.736 8.555 1.00 0.00 O ATOM 0 H GLU A 81 3.278 8.130 7.179 1.00 0.00 H new ATOM 0 HA GLU A 81 4.710 9.148 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.322 6.300 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.561 6.773 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.673 8.172 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.352 7.967 7.678 1.00 0.00 H new ATOM 1242 N LEU A 82 2.036 7.408 4.186 1.00 0.00 N ATOM 1243 CA LEU A 82 1.136 7.015 3.080 1.00 0.00 C ATOM 1244 C LEU A 82 0.629 8.258 2.342 1.00 0.00 C ATOM 1245 O LEU A 82 0.466 8.247 1.117 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.067 6.172 3.591 1.00 0.00 C ATOM 1247 CG LEU A 82 0.282 4.804 4.265 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.993 4.065 4.731 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.150 3.909 3.343 1.00 0.00 C ATOM 0 H LEU A 82 1.635 7.259 5.112 1.00 0.00 H new ATOM 0 HA LEU A 82 1.710 6.395 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.627 6.773 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.732 5.979 2.749 1.00 0.00 H new ATOM 0 HG LEU A 82 0.879 5.025 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.716 3.118 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.527 4.681 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.637 3.874 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.369 2.969 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.609 3.705 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.083 4.422 3.111 1.00 0.00 H new ATOM 1261 N ASP A 83 0.391 9.335 3.111 1.00 0.00 N ATOM 1262 CA ASP A 83 0.007 10.647 2.556 1.00 0.00 C ATOM 1263 C ASP A 83 1.222 11.356 1.906 1.00 0.00 C ATOM 1264 O ASP A 83 1.057 12.215 1.040 1.00 0.00 O ATOM 1265 CB ASP A 83 -0.616 11.525 3.668 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.160 12.875 3.154 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -2.252 12.897 2.556 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.497 13.920 3.335 1.00 0.00 O ATOM 0 H ASP A 83 0.459 9.322 4.129 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.736 10.490 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.426 10.973 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.135 11.713 4.435 1.00 0.00 H new ATOM 1273 N LEU A 84 2.446 10.993 2.343 1.00 0.00 N ATOM 1274 CA LEU A 84 3.705 11.532 1.764 1.00 0.00 C ATOM 1275 C LEU A 84 4.062 10.843 0.431 1.00 0.00 C ATOM 1276 O LEU A 84 4.943 11.320 -0.295 1.00 0.00 O ATOM 1277 CB LEU A 84 4.882 11.388 2.766 1.00 0.00 C ATOM 1278 CG LEU A 84 4.731 12.159 4.115 1.00 0.00 C ATOM 1279 CD1 LEU A 84 5.940 11.909 5.037 1.00 0.00 C ATOM 1280 CD2 LEU A 84 4.499 13.672 3.888 1.00 0.00 C ATOM 0 H LEU A 84 2.594 10.325 3.099 1.00 0.00 H new ATOM 0 HA LEU A 84 3.537 12.590 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.016 10.329 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.794 11.729 2.276 1.00 0.00 H new ATOM 0 HG LEU A 84 3.844 11.769 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.807 12.459 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.019 10.843 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.851 12.248 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.399 14.173 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.346 14.093 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.588 13.817 3.307 1.00 0.00 H new ATOM 1292 N LEU A 85 3.390 9.715 0.125 1.00 0.00 N ATOM 1293 CA LEU A 85 3.574 8.996 -1.158 1.00 0.00 C ATOM 1294 C LEU A 85 2.970 9.797 -2.322 1.00 0.00 C ATOM 1295 O LEU A 85 2.115 10.658 -2.112 1.00 0.00 O ATOM 1296 CB LEU A 85 2.923 7.591 -1.107 1.00 0.00 C ATOM 1297 CG LEU A 85 3.412 6.657 0.040 1.00 0.00 C ATOM 1298 CD1 LEU A 85 2.655 5.316 0.028 1.00 0.00 C ATOM 1299 CD2 LEU A 85 4.945 6.452 0.001 1.00 0.00 C ATOM 0 H LEU A 85 2.712 9.279 0.750 1.00 0.00 H new ATOM 0 HA LEU A 85 4.646 8.882 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.844 7.715 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.106 7.092 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 85 3.185 7.152 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.018 4.686 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.589 5.499 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.822 4.813 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.245 5.795 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.228 6.001 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.444 7.415 0.109 1.00 0.00 H new ATOM 1311 N GLU A 86 3.430 9.510 -3.547 1.00 0.00 N ATOM 1312 CA GLU A 86 2.895 10.128 -4.770 1.00 0.00 C ATOM 1313 C GLU A 86 2.715 9.066 -5.862 1.00 0.00 C ATOM 1314 O GLU A 86 1.705 9.059 -6.579 1.00 0.00 O ATOM 1315 CB GLU A 86 3.841 11.257 -5.247 1.00 0.00 C ATOM 1316 CG GLU A 86 3.438 11.900 -6.591 1.00 0.00 C ATOM 1317 CD GLU A 86 4.336 13.061 -7.043 1.00 0.00 C ATOM 1318 OE1 GLU A 86 5.570 12.880 -7.106 1.00 0.00 O ATOM 1319 OE2 GLU A 86 3.810 14.144 -7.376 1.00 0.00 O ATOM 0 H GLU A 86 4.183 8.844 -3.719 1.00 0.00 H new ATOM 0 HA GLU A 86 1.919 10.564 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.875 12.033 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.850 10.855 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.446 11.131 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.413 12.261 -6.512 1.00 0.00 H new ATOM 1326 N THR A 87 3.712 8.172 -5.990 1.00 0.00 N ATOM 1327 CA THR A 87 3.706 7.091 -6.991 1.00 0.00 C ATOM 1328 C THR A 87 3.667 5.710 -6.314 1.00 0.00 C ATOM 1329 O THR A 87 3.997 5.567 -5.119 1.00 0.00 O ATOM 1330 CB THR A 87 4.956 7.192 -7.920 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.153 7.086 -7.138 1.00 0.00 O ATOM 1332 CG2 THR A 87 4.965 8.510 -8.723 1.00 0.00 C ATOM 0 H THR A 87 4.545 8.179 -5.402 1.00 0.00 H new ATOM 0 HA THR A 87 2.806 7.205 -7.596 1.00 0.00 H new ATOM 0 HB THR A 87 4.910 6.369 -8.634 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.934 7.148 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.850 8.543 -9.358 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.071 8.564 -9.344 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.980 9.355 -8.035 1.00 0.00 H new ATOM 1340 N VAL A 88 3.232 4.708 -7.093 1.00 0.00 N ATOM 1341 CA VAL A 88 3.175 3.297 -6.665 1.00 0.00 C ATOM 1342 C VAL A 88 4.563 2.784 -6.266 1.00 0.00 C ATOM 1343 O VAL A 88 4.700 2.026 -5.303 1.00 0.00 O ATOM 1344 CB VAL A 88 2.562 2.422 -7.819 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.611 0.910 -7.520 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.118 2.871 -8.106 1.00 0.00 C ATOM 0 H VAL A 88 2.906 4.853 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 88 2.536 3.222 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 88 3.179 2.580 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.174 0.360 -8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.647 0.599 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.047 0.700 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.699 2.261 -8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.515 2.753 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.116 3.918 -8.409 1.00 0.00 H new ATOM 1356 N ASP A 89 5.577 3.251 -7.003 1.00 0.00 N ATOM 1357 CA ASP A 89 6.987 2.939 -6.738 1.00 0.00 C ATOM 1358 C ASP A 89 7.406 3.379 -5.317 1.00 0.00 C ATOM 1359 O ASP A 89 8.178 2.685 -4.662 1.00 0.00 O ATOM 1360 CB ASP A 89 7.880 3.620 -7.803 1.00 0.00 C ATOM 1361 CG ASP A 89 7.568 3.143 -9.235 1.00 0.00 C ATOM 1362 OD1 ASP A 89 6.677 3.720 -9.886 1.00 0.00 O ATOM 1363 OD2 ASP A 89 8.193 2.166 -9.704 1.00 0.00 O ATOM 0 H ASP A 89 5.441 3.862 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 89 7.116 1.858 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.745 4.700 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.927 3.417 -7.577 1.00 0.00 H new ATOM 1368 N GLU A 90 6.847 4.521 -4.846 1.00 0.00 N ATOM 1369 CA GLU A 90 7.099 5.047 -3.485 1.00 0.00 C ATOM 1370 C GLU A 90 6.435 4.174 -2.404 1.00 0.00 C ATOM 1371 O GLU A 90 7.007 3.998 -1.324 1.00 0.00 O ATOM 1372 CB GLU A 90 6.630 6.528 -3.354 1.00 0.00 C ATOM 1373 CG GLU A 90 7.403 7.530 -4.232 1.00 0.00 C ATOM 1374 CD GLU A 90 8.919 7.483 -3.984 1.00 0.00 C ATOM 1375 OE1 GLU A 90 9.382 7.992 -2.944 1.00 0.00 O ATOM 1376 OE2 GLU A 90 9.657 6.914 -4.821 1.00 0.00 O ATOM 0 H GLU A 90 6.212 5.099 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 90 8.177 5.014 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.572 6.583 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.723 6.833 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.203 7.317 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.037 8.538 -4.036 1.00 0.00 H new ATOM 1383 N LEU A 91 5.226 3.645 -2.689 1.00 0.00 N ATOM 1384 CA LEU A 91 4.559 2.674 -1.780 1.00 0.00 C ATOM 1385 C LEU A 91 5.406 1.400 -1.634 1.00 0.00 C ATOM 1386 O LEU A 91 5.587 0.873 -0.525 1.00 0.00 O ATOM 1387 CB LEU A 91 3.130 2.309 -2.273 1.00 0.00 C ATOM 1388 CG LEU A 91 2.373 1.237 -1.409 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.156 1.699 0.056 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.050 0.820 -2.068 1.00 0.00 C ATOM 0 H LEU A 91 4.693 3.867 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 91 4.465 3.155 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.530 3.219 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.200 1.942 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 91 3.017 0.359 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.629 0.921 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.122 1.886 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.565 2.615 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.551 0.078 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.407 1.693 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.252 0.393 -3.050 1.00 0.00 H new ATOM 1402 N PHE A 92 5.937 0.951 -2.775 1.00 0.00 N ATOM 1403 CA PHE A 92 6.786 -0.236 -2.867 1.00 0.00 C ATOM 1404 C PHE A 92 8.079 -0.035 -2.060 1.00 0.00 C ATOM 1405 O PHE A 92 8.549 -0.969 -1.413 1.00 0.00 O ATOM 1406 CB PHE A 92 7.080 -0.576 -4.362 1.00 0.00 C ATOM 1407 CG PHE A 92 5.899 -1.194 -5.145 1.00 0.00 C ATOM 1408 CD1 PHE A 92 4.568 -1.043 -4.730 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.131 -1.958 -6.288 1.00 0.00 C ATOM 1410 CE1 PHE A 92 3.532 -1.631 -5.420 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.084 -2.538 -6.980 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.787 -2.376 -6.546 1.00 0.00 C ATOM 0 H PHE A 92 5.786 1.410 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 92 6.260 -1.086 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.393 0.336 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.922 -1.268 -4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.351 -0.454 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.143 -2.099 -6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.516 -1.506 -5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.284 -3.122 -7.866 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.973 -2.833 -7.089 1.00 0.00 H new ATOM 1422 N GLN A 93 8.632 1.200 -2.097 1.00 0.00 N ATOM 1423 CA GLN A 93 9.819 1.575 -1.303 1.00 0.00 C ATOM 1424 C GLN A 93 9.510 1.529 0.199 1.00 0.00 C ATOM 1425 O GLN A 93 10.259 0.923 0.962 1.00 0.00 O ATOM 1426 CB GLN A 93 10.326 2.989 -1.706 1.00 0.00 C ATOM 1427 CG GLN A 93 10.927 3.077 -3.120 1.00 0.00 C ATOM 1428 CD GLN A 93 12.184 2.214 -3.320 1.00 0.00 C ATOM 1429 OE1 GLN A 93 12.975 2.000 -2.396 1.00 0.00 O ATOM 1430 NE2 GLN A 93 12.372 1.711 -4.529 1.00 0.00 N ATOM 0 H GLN A 93 8.269 1.958 -2.675 1.00 0.00 H new ATOM 0 HA GLN A 93 10.606 0.851 -1.514 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.496 3.692 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.078 3.309 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.171 2.773 -3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.175 4.117 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.701 1.905 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.188 1.129 -4.718 1.00 0.00 H new ATOM 1439 N LEU A 94 8.377 2.151 0.585 1.00 0.00 N ATOM 1440 CA LEU A 94 7.928 2.281 1.989 1.00 0.00 C ATOM 1441 C LEU A 94 7.891 0.901 2.663 1.00 0.00 C ATOM 1442 O LEU A 94 8.632 0.642 3.615 1.00 0.00 O ATOM 1443 CB LEU A 94 6.523 2.987 2.023 1.00 0.00 C ATOM 1444 CG LEU A 94 5.926 3.411 3.427 1.00 0.00 C ATOM 1445 CD1 LEU A 94 4.847 4.497 3.251 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.327 2.223 4.234 1.00 0.00 C ATOM 0 H LEU A 94 7.737 2.585 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 94 8.632 2.897 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.587 3.883 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.805 2.321 1.545 1.00 0.00 H new ATOM 0 HG LEU A 94 6.768 3.799 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.449 4.775 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.287 5.373 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.041 4.111 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.937 2.588 5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.520 1.765 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.104 1.482 4.422 1.00 0.00 H new ATOM 1458 N VAL A 95 7.057 0.012 2.109 1.00 0.00 N ATOM 1459 CA VAL A 95 6.778 -1.304 2.703 1.00 0.00 C ATOM 1460 C VAL A 95 8.012 -2.218 2.636 1.00 0.00 C ATOM 1461 O VAL A 95 8.208 -3.033 3.530 1.00 0.00 O ATOM 1462 CB VAL A 95 5.539 -1.976 2.020 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.156 -3.321 2.689 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.339 -0.999 2.014 1.00 0.00 C ATOM 0 H VAL A 95 6.556 0.183 1.237 1.00 0.00 H new ATOM 0 HA VAL A 95 6.538 -1.151 3.755 1.00 0.00 H new ATOM 0 HB VAL A 95 5.815 -2.206 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.292 -3.747 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.995 -4.013 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.911 -3.149 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.483 -1.477 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.081 -0.733 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.606 -0.098 1.462 1.00 0.00 H new ATOM 1474 N GLU A 96 8.850 -2.052 1.582 1.00 0.00 N ATOM 1475 CA GLU A 96 10.139 -2.782 1.442 1.00 0.00 C ATOM 1476 C GLU A 96 11.093 -2.454 2.611 1.00 0.00 C ATOM 1477 O GLU A 96 11.706 -3.357 3.194 1.00 0.00 O ATOM 1478 CB GLU A 96 10.814 -2.427 0.090 1.00 0.00 C ATOM 1479 CG GLU A 96 12.232 -3.002 -0.120 1.00 0.00 C ATOM 1480 CD GLU A 96 12.853 -2.614 -1.474 1.00 0.00 C ATOM 1481 OE1 GLU A 96 13.044 -1.402 -1.726 1.00 0.00 O ATOM 1482 OE2 GLU A 96 13.154 -3.512 -2.295 1.00 0.00 O ATOM 0 H GLU A 96 8.655 -1.414 0.810 1.00 0.00 H new ATOM 0 HA GLU A 96 9.925 -3.851 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.175 -2.781 -0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.865 -1.342 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.881 -2.652 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.190 -4.089 -0.045 1.00 0.00 H new ATOM 1489 N LYS A 97 11.189 -1.150 2.942 1.00 0.00 N ATOM 1490 CA LYS A 97 12.083 -0.652 4.003 1.00 0.00 C ATOM 1491 C LYS A 97 11.610 -1.123 5.380 1.00 0.00 C ATOM 1492 O LYS A 97 12.410 -1.622 6.162 1.00 0.00 O ATOM 1493 CB LYS A 97 12.207 0.903 3.960 1.00 0.00 C ATOM 1494 CG LYS A 97 12.834 1.465 2.659 1.00 0.00 C ATOM 1495 CD LYS A 97 14.218 0.852 2.356 1.00 0.00 C ATOM 1496 CE LYS A 97 14.829 1.339 1.033 1.00 0.00 C ATOM 1497 NZ LYS A 97 16.153 0.705 0.779 1.00 0.00 N ATOM 0 H LYS A 97 10.650 -0.416 2.482 1.00 0.00 H new ATOM 0 HA LYS A 97 13.074 -1.068 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.215 1.337 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.809 1.230 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.163 1.270 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.931 2.547 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.899 1.093 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.127 -0.234 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.151 1.110 0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.942 2.423 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.538 1.055 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.807 0.945 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.040 -0.328 0.729 1.00 0.00 H new ATOM 1511 N HIS A 98 10.295 -0.993 5.646 1.00 0.00 N ATOM 1512 CA HIS A 98 9.686 -1.421 6.932 1.00 0.00 C ATOM 1513 C HIS A 98 9.667 -2.965 7.067 1.00 0.00 C ATOM 1514 O HIS A 98 9.646 -3.490 8.184 1.00 0.00 O ATOM 1515 CB HIS A 98 8.256 -0.835 7.095 1.00 0.00 C ATOM 1516 CG HIS A 98 8.212 0.660 7.337 1.00 0.00 C ATOM 1517 ND1 HIS A 98 7.972 1.219 8.577 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.347 1.712 6.491 1.00 0.00 C ATOM 1519 CE1 HIS A 98 7.966 2.531 8.475 1.00 0.00 C ATOM 1520 NE2 HIS A 98 8.190 2.849 7.224 1.00 0.00 N ATOM 0 H HIS A 98 9.627 -0.593 4.987 1.00 0.00 H new ATOM 0 HA HIS A 98 10.309 -1.026 7.735 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.680 -1.062 6.198 1.00 0.00 H new ATOM 0 HB3 HIS A 98 7.763 -1.339 7.926 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.543 1.658 5.430 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.804 3.227 9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.239 3.799 6.857 1.00 0.00 H new ATOM 1529 N ARG A 99 9.685 -3.669 5.918 1.00 0.00 N ATOM 1530 CA ARG A 99 9.825 -5.142 5.855 1.00 0.00 C ATOM 1531 C ARG A 99 11.227 -5.556 6.344 1.00 0.00 C ATOM 1532 O ARG A 99 11.373 -6.486 7.142 1.00 0.00 O ATOM 1533 CB ARG A 99 9.589 -5.623 4.392 1.00 0.00 C ATOM 1534 CG ARG A 99 9.775 -7.135 4.130 1.00 0.00 C ATOM 1535 CD ARG A 99 9.661 -7.490 2.631 1.00 0.00 C ATOM 1536 NE ARG A 99 10.663 -6.754 1.815 1.00 0.00 N ATOM 1537 CZ ARG A 99 11.265 -7.214 0.704 1.00 0.00 C ATOM 1538 NH1 ARG A 99 11.041 -8.442 0.254 1.00 0.00 N ATOM 1539 NH2 ARG A 99 12.120 -6.441 0.058 1.00 0.00 N ATOM 0 H ARG A 99 9.602 -3.231 5.000 1.00 0.00 H new ATOM 0 HA ARG A 99 9.083 -5.609 6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.576 -5.347 4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.269 -5.076 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.751 -7.448 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.026 -7.693 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.801 -8.563 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.658 -7.254 2.276 1.00 0.00 H new ATOM 0 HE ARG A 99 10.916 -5.816 2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.400 -9.059 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.509 -8.769 -0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.320 -5.502 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.580 -6.783 -0.785 1.00 0.00 H new ATOM 1553 N ALA A 100 12.247 -4.819 5.872 1.00 0.00 N ATOM 1554 CA ALA A 100 13.660 -5.054 6.231 1.00 0.00 C ATOM 1555 C ALA A 100 14.077 -4.257 7.492 1.00 0.00 C ATOM 1556 O ALA A 100 15.226 -4.354 7.928 1.00 0.00 O ATOM 1557 CB ALA A 100 14.547 -4.697 5.030 1.00 0.00 C ATOM 0 H ALA A 100 12.116 -4.039 5.228 1.00 0.00 H new ATOM 0 HA ALA A 100 13.788 -6.108 6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.593 -4.868 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.276 -5.321 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.404 -3.648 4.771 1.00 0.00 H new ATOM 1563 N ALA A 101 13.113 -3.480 8.054 1.00 0.00 N ATOM 1564 CA ALA A 101 13.291 -2.629 9.251 1.00 0.00 C ATOM 1565 C ALA A 101 14.294 -1.481 8.984 1.00 0.00 C ATOM 1566 O ALA A 101 15.458 -1.551 9.387 1.00 0.00 O ATOM 1567 CB ALA A 101 13.660 -3.466 10.499 1.00 0.00 C ATOM 0 H ALA A 101 12.168 -3.430 7.674 1.00 0.00 H new ATOM 0 HA ALA A 101 12.332 -2.160 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.782 -2.805 11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.865 -4.184 10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.593 -4.000 10.316 1.00 0.00 H new