USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=13 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 Single : A 27 MET CE :methyl -166:sc= -0.0345 (180deg=-0.296) USER MOD Single : A 30 HIS : no HD1:sc= 0.112 K(o=0.11,f=-0.99) USER MOD Single : A 33 THR OG1 : rot 66:sc= 0.629 USER MOD Single : A 36 SER OG : rot -19:sc= 0.875 USER MOD Single : A 39 SER OG : rot 82:sc= 0.923 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -123:sc= 0.764 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -141:sc= -0.393 (180deg=-2.74!) 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 -151:sc= 0.21 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= 0.681 (180deg=0.401) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 87 THR OG1 : rot -57:sc= -0.219 USER MOD Single : A 93 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.94) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 5.764 -10.034 -2.594 1.00 0.00 N ATOM 393 CA MET A 27 5.994 -8.595 -2.340 1.00 0.00 C ATOM 394 C MET A 27 5.397 -7.750 -3.478 1.00 0.00 C ATOM 395 O MET A 27 4.506 -6.945 -3.227 1.00 0.00 O ATOM 396 CB MET A 27 7.514 -8.289 -2.169 1.00 0.00 C ATOM 397 CG MET A 27 8.176 -8.940 -0.937 1.00 0.00 C ATOM 398 SD MET A 27 7.490 -8.355 0.634 1.00 0.00 S ATOM 399 CE MET A 27 7.977 -6.628 0.623 1.00 0.00 C ATOM 0 HA MET A 27 5.494 -8.331 -1.408 1.00 0.00 H new ATOM 0 HB2 MET A 27 8.039 -8.623 -3.064 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.647 -7.209 -2.106 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.057 -10.022 -0.998 1.00 0.00 H new ATOM 0 HG3 MET A 27 9.246 -8.736 -0.957 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.847 -6.207 1.620 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.023 -6.547 0.329 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.357 -6.080 -0.086 1.00 0.00 H new ATOM 409 N GLU A 28 5.873 -7.962 -4.731 1.00 0.00 N ATOM 410 CA GLU A 28 5.508 -7.092 -5.880 1.00 0.00 C ATOM 411 C GLU A 28 4.058 -7.326 -6.352 1.00 0.00 C ATOM 412 O GLU A 28 3.207 -6.437 -6.222 1.00 0.00 O ATOM 413 CB GLU A 28 6.509 -7.266 -7.056 1.00 0.00 C ATOM 414 CG GLU A 28 6.224 -6.353 -8.274 1.00 0.00 C ATOM 415 CD GLU A 28 7.214 -6.547 -9.436 1.00 0.00 C ATOM 416 OE1 GLU A 28 7.134 -7.587 -10.124 1.00 0.00 O ATOM 417 OE2 GLU A 28 8.079 -5.669 -9.665 1.00 0.00 O ATOM 0 H GLU A 28 6.507 -8.724 -4.972 1.00 0.00 H new ATOM 0 HA GLU A 28 5.569 -6.062 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.517 -7.064 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.490 -8.306 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.213 -6.546 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.255 -5.312 -7.952 1.00 0.00 H new ATOM 424 N ASP A 29 3.785 -8.549 -6.853 1.00 0.00 N ATOM 425 CA ASP A 29 2.433 -8.976 -7.304 1.00 0.00 C ATOM 426 C ASP A 29 1.441 -8.920 -6.129 1.00 0.00 C ATOM 427 O ASP A 29 0.256 -8.599 -6.298 1.00 0.00 O ATOM 428 CB ASP A 29 2.482 -10.425 -7.880 1.00 0.00 C ATOM 429 CG ASP A 29 3.522 -10.596 -9.003 1.00 0.00 C ATOM 430 OD1 ASP A 29 4.719 -10.794 -8.688 1.00 0.00 O ATOM 431 OD2 ASP A 29 3.154 -10.538 -10.198 1.00 0.00 O ATOM 0 H ASP A 29 4.494 -9.274 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 29 2.101 -8.295 -8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.709 -11.122 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.497 -10.691 -8.263 1.00 0.00 H new ATOM 436 N HIS A 30 1.979 -9.225 -4.936 1.00 0.00 N ATOM 437 CA HIS A 30 1.234 -9.230 -3.676 1.00 0.00 C ATOM 438 C HIS A 30 0.720 -7.819 -3.330 1.00 0.00 C ATOM 439 O HIS A 30 -0.430 -7.667 -2.920 1.00 0.00 O ATOM 440 CB HIS A 30 2.149 -9.765 -2.547 1.00 0.00 C ATOM 441 CG HIS A 30 1.464 -10.171 -1.260 1.00 0.00 C ATOM 442 ND1 HIS A 30 2.146 -10.300 -0.068 1.00 0.00 N ATOM 443 CD2 HIS A 30 0.192 -10.555 -0.996 1.00 0.00 C ATOM 444 CE1 HIS A 30 1.328 -10.753 0.859 1.00 0.00 C ATOM 445 NE2 HIS A 30 0.140 -10.913 0.323 1.00 0.00 N ATOM 0 H HIS A 30 2.961 -9.479 -4.824 1.00 0.00 H new ATOM 0 HA HIS A 30 0.365 -9.880 -3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.695 -10.627 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.887 -8.998 -2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.629 -10.575 -1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.590 -10.958 1.886 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.689 -11.250 0.812 1.00 0.00 H new ATOM 454 N LEU A 31 1.583 -6.799 -3.525 1.00 0.00 N ATOM 455 CA LEU A 31 1.243 -5.394 -3.212 1.00 0.00 C ATOM 456 C LEU A 31 0.277 -4.815 -4.260 1.00 0.00 C ATOM 457 O LEU A 31 -0.563 -3.990 -3.927 1.00 0.00 O ATOM 458 CB LEU A 31 2.514 -4.514 -3.090 1.00 0.00 C ATOM 459 CG LEU A 31 2.283 -3.049 -2.586 1.00 0.00 C ATOM 460 CD1 LEU A 31 1.598 -3.020 -1.197 1.00 0.00 C ATOM 461 CD2 LEU A 31 3.604 -2.251 -2.562 1.00 0.00 C ATOM 0 H LEU A 31 2.524 -6.923 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 31 0.742 -5.387 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.210 -5.006 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.998 -4.470 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 31 1.609 -2.569 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.456 -1.986 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.630 -3.517 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.226 -3.536 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.411 -1.238 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.313 -2.740 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.023 -2.210 -3.568 1.00 0.00 H new ATOM 473 N LEU A 32 0.406 -5.258 -5.525 1.00 0.00 N ATOM 474 CA LEU A 32 -0.554 -4.887 -6.600 1.00 0.00 C ATOM 475 C LEU A 32 -1.963 -5.454 -6.301 1.00 0.00 C ATOM 476 O LEU A 32 -2.975 -4.876 -6.716 1.00 0.00 O ATOM 477 CB LEU A 32 -0.036 -5.334 -8.011 1.00 0.00 C ATOM 478 CG LEU A 32 0.876 -4.303 -8.774 1.00 0.00 C ATOM 479 CD1 LEU A 32 2.126 -3.905 -7.954 1.00 0.00 C ATOM 480 CD2 LEU A 32 1.274 -4.837 -10.177 1.00 0.00 C ATOM 0 H LEU A 32 1.160 -5.871 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.633 -3.800 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.522 -6.263 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.899 -5.558 -8.638 1.00 0.00 H new ATOM 0 HG LEU A 32 0.284 -3.398 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.723 -3.192 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.815 -3.449 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.723 -4.793 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.904 -4.103 -10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.823 -5.772 -10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.375 -5.010 -10.769 1.00 0.00 H new ATOM 492 N THR A 33 -2.011 -6.594 -5.575 1.00 0.00 N ATOM 493 CA THR A 33 -3.273 -7.166 -5.066 1.00 0.00 C ATOM 494 C THR A 33 -3.820 -6.307 -3.898 1.00 0.00 C ATOM 495 O THR A 33 -5.009 -6.009 -3.847 1.00 0.00 O ATOM 496 CB THR A 33 -3.090 -8.650 -4.607 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.499 -9.417 -5.672 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.434 -9.299 -4.204 1.00 0.00 C ATOM 0 H THR A 33 -1.183 -7.137 -5.329 1.00 0.00 H new ATOM 0 HA THR A 33 -3.994 -7.158 -5.884 1.00 0.00 H new ATOM 0 HB THR A 33 -2.439 -8.646 -3.733 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.586 -9.100 -5.836 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.262 -10.329 -3.892 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.876 -8.739 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.114 -9.287 -5.056 1.00 0.00 H new ATOM 506 N VAL A 34 -2.917 -5.904 -2.983 1.00 0.00 N ATOM 507 CA VAL A 34 -3.242 -5.012 -1.843 1.00 0.00 C ATOM 508 C VAL A 34 -3.898 -3.710 -2.344 1.00 0.00 C ATOM 509 O VAL A 34 -4.912 -3.257 -1.798 1.00 0.00 O ATOM 510 CB VAL A 34 -1.935 -4.679 -1.021 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.144 -3.561 0.023 1.00 0.00 C ATOM 512 CG2 VAL A 34 -1.369 -5.951 -0.359 1.00 0.00 C ATOM 0 H VAL A 34 -1.937 -6.187 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.948 -5.528 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.207 -4.298 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.209 -3.380 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.459 -2.647 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.912 -3.866 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.469 -5.699 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.113 -6.371 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.124 -6.683 -1.128 1.00 0.00 H new ATOM 522 N LEU A 35 -3.306 -3.155 -3.407 1.00 0.00 N ATOM 523 CA LEU A 35 -3.749 -1.907 -4.030 1.00 0.00 C ATOM 524 C LEU A 35 -5.109 -2.077 -4.713 1.00 0.00 C ATOM 525 O LEU A 35 -5.956 -1.214 -4.574 1.00 0.00 O ATOM 526 CB LEU A 35 -2.684 -1.414 -5.040 1.00 0.00 C ATOM 527 CG LEU A 35 -1.340 -0.925 -4.416 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.284 -0.649 -5.505 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.564 0.316 -3.524 1.00 0.00 C ATOM 0 H LEU A 35 -2.493 -3.568 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.868 -1.157 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.467 -2.224 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.112 -0.598 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.956 -1.725 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.641 -0.310 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.093 -1.564 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.652 0.122 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.612 0.637 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.986 1.123 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.253 0.065 -2.717 1.00 0.00 H new ATOM 541 N SER A 36 -5.315 -3.201 -5.429 1.00 0.00 N ATOM 542 CA SER A 36 -6.560 -3.430 -6.192 1.00 0.00 C ATOM 543 C SER A 36 -7.778 -3.565 -5.259 1.00 0.00 C ATOM 544 O SER A 36 -8.885 -3.119 -5.594 1.00 0.00 O ATOM 545 CB SER A 36 -6.422 -4.667 -7.108 1.00 0.00 C ATOM 546 OG SER A 36 -6.127 -5.838 -6.376 1.00 0.00 O ATOM 0 H SER A 36 -4.639 -3.962 -5.495 1.00 0.00 H new ATOM 0 HA SER A 36 -6.728 -2.557 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.348 -4.811 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.635 -4.489 -7.840 1.00 0.00 H new ATOM 0 HG SER A 36 -5.780 -5.593 -5.493 1.00 0.00 H new ATOM 552 N VAL A 37 -7.547 -4.166 -4.079 1.00 0.00 N ATOM 553 CA VAL A 37 -8.577 -4.342 -3.041 1.00 0.00 C ATOM 554 C VAL A 37 -8.856 -3.002 -2.307 1.00 0.00 C ATOM 555 O VAL A 37 -10.007 -2.704 -1.975 1.00 0.00 O ATOM 556 CB VAL A 37 -8.152 -5.473 -2.020 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.217 -5.699 -0.920 1.00 0.00 C ATOM 558 CG2 VAL A 37 -7.854 -6.802 -2.760 1.00 0.00 C ATOM 0 H VAL A 37 -6.637 -4.545 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.502 -4.655 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.241 -5.129 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.880 -6.484 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.363 -4.775 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.159 -5.996 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.564 -7.564 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.746 -7.129 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.042 -6.649 -3.471 1.00 0.00 H new ATOM 568 N ALA A 38 -7.799 -2.187 -2.087 1.00 0.00 N ATOM 569 CA ALA A 38 -7.909 -0.906 -1.338 1.00 0.00 C ATOM 570 C ALA A 38 -8.509 0.225 -2.207 1.00 0.00 C ATOM 571 O ALA A 38 -9.278 1.061 -1.719 1.00 0.00 O ATOM 572 CB ALA A 38 -6.530 -0.486 -0.798 1.00 0.00 C ATOM 0 H ALA A 38 -6.856 -2.391 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.589 -1.073 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.624 0.453 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.150 -1.259 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.838 -0.354 -1.630 1.00 0.00 H new ATOM 578 N SER A 39 -8.142 0.223 -3.495 1.00 0.00 N ATOM 579 CA SER A 39 -8.516 1.270 -4.456 1.00 0.00 C ATOM 580 C SER A 39 -9.879 0.948 -5.094 1.00 0.00 C ATOM 581 O SER A 39 -10.814 1.752 -5.037 1.00 0.00 O ATOM 582 CB SER A 39 -7.424 1.372 -5.551 1.00 0.00 C ATOM 583 OG SER A 39 -6.131 1.522 -4.987 1.00 0.00 O ATOM 0 H SER A 39 -7.570 -0.515 -3.905 1.00 0.00 H new ATOM 0 HA SER A 39 -8.598 2.224 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.448 0.478 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.638 2.220 -6.202 1.00 0.00 H new ATOM 0 HG SER A 39 -5.786 0.644 -4.722 1.00 0.00 H new ATOM 589 N GLY A 40 -9.971 -0.256 -5.683 1.00 0.00 N ATOM 590 CA GLY A 40 -11.149 -0.692 -6.437 1.00 0.00 C ATOM 591 C GLY A 40 -10.806 -1.004 -7.890 1.00 0.00 C ATOM 592 O GLY A 40 -11.522 -1.774 -8.547 1.00 0.00 O ATOM 0 H GLY A 40 -9.227 -0.953 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.575 -1.578 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.912 0.086 -6.402 1.00 0.00 H new ATOM 596 N VAL A 41 -9.717 -0.387 -8.408 1.00 0.00 N ATOM 597 CA VAL A 41 -9.217 -0.655 -9.762 1.00 0.00 C ATOM 598 C VAL A 41 -8.465 -2.010 -9.792 1.00 0.00 C ATOM 599 O VAL A 41 -7.642 -2.260 -8.914 1.00 0.00 O ATOM 600 CB VAL A 41 -8.283 0.509 -10.284 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.085 1.812 -10.492 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.077 0.749 -9.343 1.00 0.00 C ATOM 0 H VAL A 41 -9.169 0.305 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.076 -0.707 -10.431 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.885 0.194 -11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.418 2.596 -10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.873 1.641 -11.226 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.531 2.120 -9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.462 1.557 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.438 1.021 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.481 -0.161 -9.276 1.00 0.00 H new ATOM 612 N PRO A 42 -8.762 -2.922 -10.776 1.00 0.00 N ATOM 613 CA PRO A 42 -8.087 -4.249 -10.875 1.00 0.00 C ATOM 614 C PRO A 42 -6.556 -4.131 -11.093 1.00 0.00 C ATOM 615 O PRO A 42 -6.058 -3.078 -11.510 1.00 0.00 O ATOM 616 CB PRO A 42 -8.804 -4.936 -12.078 1.00 0.00 C ATOM 617 CG PRO A 42 -9.432 -3.816 -12.857 1.00 0.00 C ATOM 618 CD PRO A 42 -9.798 -2.760 -11.836 1.00 0.00 C ATOM 0 HA PRO A 42 -8.169 -4.822 -9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.096 -5.493 -12.692 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.556 -5.646 -11.734 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.739 -3.419 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.314 -4.161 -13.396 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.776 -1.760 -12.268 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.802 -2.915 -11.442 1.00 0.00 H new ATOM 626 N LYS A 43 -5.838 -5.241 -10.812 1.00 0.00 N ATOM 627 CA LYS A 43 -4.354 -5.329 -10.861 1.00 0.00 C ATOM 628 C LYS A 43 -3.789 -5.003 -12.262 1.00 0.00 C ATOM 629 O LYS A 43 -2.639 -4.571 -12.389 1.00 0.00 O ATOM 630 CB LYS A 43 -3.920 -6.763 -10.441 1.00 0.00 C ATOM 631 CG LYS A 43 -4.274 -7.139 -8.975 1.00 0.00 C ATOM 632 CD LYS A 43 -4.209 -8.661 -8.689 1.00 0.00 C ATOM 633 CE LYS A 43 -2.838 -9.288 -8.993 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.888 -10.773 -8.901 1.00 0.00 N ATOM 0 H LYS A 43 -6.278 -6.120 -10.539 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.951 -4.586 -10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.390 -7.482 -11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.843 -6.858 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.590 -6.622 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.277 -6.778 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.455 -8.836 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.970 -9.166 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.515 -8.994 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.097 -8.903 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.948 -11.166 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.173 -11.052 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.578 -11.140 -9.587 1.00 0.00 H new ATOM 648 N GLU A 44 -4.618 -5.228 -13.296 1.00 0.00 N ATOM 649 CA GLU A 44 -4.258 -4.986 -14.713 1.00 0.00 C ATOM 650 C GLU A 44 -4.100 -3.467 -15.006 1.00 0.00 C ATOM 651 O GLU A 44 -3.389 -3.071 -15.939 1.00 0.00 O ATOM 652 CB GLU A 44 -5.350 -5.627 -15.618 1.00 0.00 C ATOM 653 CG GLU A 44 -4.987 -5.749 -17.119 1.00 0.00 C ATOM 654 CD GLU A 44 -6.082 -6.460 -17.935 1.00 0.00 C ATOM 655 OE1 GLU A 44 -6.100 -7.710 -17.981 1.00 0.00 O ATOM 656 OE2 GLU A 44 -6.952 -5.778 -18.513 1.00 0.00 O ATOM 0 H GLU A 44 -5.566 -5.586 -13.176 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.293 -5.446 -14.926 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.576 -6.622 -15.235 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.262 -5.037 -15.530 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.820 -4.754 -17.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.050 -6.297 -17.219 1.00 0.00 H new ATOM 663 N GLU A 45 -4.772 -2.633 -14.183 1.00 0.00 N ATOM 664 CA GLU A 45 -4.714 -1.154 -14.284 1.00 0.00 C ATOM 665 C GLU A 45 -3.510 -0.597 -13.505 1.00 0.00 C ATOM 666 O GLU A 45 -3.082 0.537 -13.734 1.00 0.00 O ATOM 667 CB GLU A 45 -6.023 -0.511 -13.735 1.00 0.00 C ATOM 668 CG GLU A 45 -7.327 -1.156 -14.242 1.00 0.00 C ATOM 669 CD GLU A 45 -7.408 -1.271 -15.776 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.634 -0.245 -16.446 1.00 0.00 O ATOM 671 OE2 GLU A 45 -7.257 -2.393 -16.315 1.00 0.00 O ATOM 0 H GLU A 45 -5.372 -2.965 -13.428 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.604 -0.901 -15.339 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.008 -0.565 -12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.030 0.546 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.422 -2.151 -13.807 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.174 -0.570 -13.886 1.00 0.00 H new ATOM 678 N ILE A 46 -2.984 -1.416 -12.581 1.00 0.00 N ATOM 679 CA ILE A 46 -1.935 -1.007 -11.632 1.00 0.00 C ATOM 680 C ILE A 46 -0.559 -1.485 -12.119 1.00 0.00 C ATOM 681 O ILE A 46 -0.398 -2.644 -12.528 1.00 0.00 O ATOM 682 CB ILE A 46 -2.224 -1.599 -10.200 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.704 -1.300 -9.786 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.218 -1.047 -9.144 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.125 -1.910 -8.472 1.00 0.00 C ATOM 0 H ILE A 46 -3.276 -2.387 -12.470 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.935 0.081 -11.572 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.087 -2.680 -10.239 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.841 -0.220 -9.730 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.367 -1.665 -10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.445 -1.475 -8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.202 -1.318 -9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.303 0.039 -9.093 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.164 -1.651 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.025 -2.994 -8.526 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.490 -1.527 -7.673 1.00 0.00 H new ATOM 697 N SER A 47 0.421 -0.580 -12.070 1.00 0.00 N ATOM 698 CA SER A 47 1.836 -0.887 -12.341 1.00 0.00 C ATOM 699 C SER A 47 2.680 -0.511 -11.107 1.00 0.00 C ATOM 700 O SER A 47 2.189 0.166 -10.194 1.00 0.00 O ATOM 701 CB SER A 47 2.313 -0.118 -13.601 1.00 0.00 C ATOM 702 OG SER A 47 3.603 -0.551 -14.009 1.00 0.00 O ATOM 0 H SER A 47 0.257 0.400 -11.839 1.00 0.00 H new ATOM 0 HA SER A 47 1.955 -1.953 -12.535 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.602 -0.269 -14.413 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.335 0.951 -13.391 1.00 0.00 H new ATOM 0 HG SER A 47 4.213 0.215 -14.031 1.00 0.00 H new ATOM 708 N ARG A 48 3.953 -0.942 -11.091 1.00 0.00 N ATOM 709 CA ARG A 48 4.881 -0.674 -9.965 1.00 0.00 C ATOM 710 C ARG A 48 5.345 0.800 -9.941 1.00 0.00 C ATOM 711 O ARG A 48 5.794 1.284 -8.908 1.00 0.00 O ATOM 712 CB ARG A 48 6.111 -1.619 -10.028 1.00 0.00 C ATOM 713 CG ARG A 48 6.899 -1.571 -11.358 1.00 0.00 C ATOM 714 CD ARG A 48 8.161 -2.451 -11.335 1.00 0.00 C ATOM 715 NE ARG A 48 9.196 -1.903 -10.444 1.00 0.00 N ATOM 716 CZ ARG A 48 10.288 -2.562 -10.019 1.00 0.00 C ATOM 717 NH1 ARG A 48 10.441 -3.863 -10.242 1.00 0.00 N ATOM 718 NH2 ARG A 48 11.201 -1.915 -9.317 1.00 0.00 N ATOM 0 H ARG A 48 4.371 -1.482 -11.849 1.00 0.00 H new ATOM 0 HA ARG A 48 4.332 -0.867 -9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.788 -1.366 -9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.775 -2.642 -9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.250 -1.895 -12.171 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.184 -0.540 -11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.896 -3.457 -11.009 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.561 -2.539 -12.345 1.00 0.00 H new ATOM 0 HE ARG A 48 9.075 -0.943 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.721 -4.382 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.278 -4.342 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.073 -0.926 -9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.034 -2.404 -8.989 1.00 0.00 H new ATOM 732 N ASP A 49 5.232 1.491 -11.091 1.00 0.00 N ATOM 733 CA ASP A 49 5.627 2.917 -11.235 1.00 0.00 C ATOM 734 C ASP A 49 4.402 3.850 -11.261 1.00 0.00 C ATOM 735 O ASP A 49 4.557 5.073 -11.396 1.00 0.00 O ATOM 736 CB ASP A 49 6.452 3.109 -12.537 1.00 0.00 C ATOM 737 CG ASP A 49 5.658 2.787 -13.823 1.00 0.00 C ATOM 738 OD1 ASP A 49 5.541 1.594 -14.174 1.00 0.00 O ATOM 739 OD2 ASP A 49 5.153 3.721 -14.486 1.00 0.00 O ATOM 0 H ASP A 49 4.865 1.082 -11.950 1.00 0.00 H new ATOM 0 HA ASP A 49 6.233 3.180 -10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.805 4.139 -12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.335 2.471 -12.495 1.00 0.00 H new ATOM 744 N SER A 50 3.196 3.262 -11.131 1.00 0.00 N ATOM 745 CA SER A 50 1.921 3.984 -11.311 1.00 0.00 C ATOM 746 C SER A 50 1.715 5.067 -10.233 1.00 0.00 C ATOM 747 O SER A 50 2.241 4.965 -9.122 1.00 0.00 O ATOM 748 CB SER A 50 0.737 2.984 -11.305 1.00 0.00 C ATOM 749 OG SER A 50 -0.498 3.616 -11.613 1.00 0.00 O ATOM 0 H SER A 50 3.079 2.276 -10.899 1.00 0.00 H new ATOM 0 HA SER A 50 1.961 4.489 -12.276 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.929 2.192 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.667 2.511 -10.325 1.00 0.00 H new ATOM 0 HG SER A 50 -1.218 2.951 -11.600 1.00 0.00 H new ATOM 755 N ARG A 51 0.962 6.110 -10.599 1.00 0.00 N ATOM 756 CA ARG A 51 0.564 7.190 -9.681 1.00 0.00 C ATOM 757 C ARG A 51 -0.533 6.698 -8.703 1.00 0.00 C ATOM 758 O ARG A 51 -1.236 5.713 -8.974 1.00 0.00 O ATOM 759 CB ARG A 51 0.046 8.394 -10.508 1.00 0.00 C ATOM 760 CG ARG A 51 1.100 9.103 -11.395 1.00 0.00 C ATOM 761 CD ARG A 51 2.040 10.029 -10.600 1.00 0.00 C ATOM 762 NE ARG A 51 1.297 11.124 -9.942 1.00 0.00 N ATOM 763 CZ ARG A 51 1.657 12.416 -9.900 1.00 0.00 C ATOM 764 NH1 ARG A 51 2.789 12.839 -10.453 1.00 0.00 N ATOM 765 NH2 ARG A 51 0.873 13.285 -9.280 1.00 0.00 N ATOM 0 H ARG A 51 0.607 6.232 -11.548 1.00 0.00 H new ATOM 0 HA ARG A 51 1.428 7.497 -9.092 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.767 8.049 -11.147 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.377 9.128 -9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.695 8.350 -11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.588 9.686 -12.160 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.574 9.448 -9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.790 10.449 -11.270 1.00 0.00 H new ATOM 0 HE ARG A 51 0.426 10.873 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.406 12.176 -10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.041 13.826 -10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.008 12.969 -8.842 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.135 14.270 -9.241 1.00 0.00 H new ATOM 779 N MET A 52 -0.688 7.422 -7.586 1.00 0.00 N ATOM 780 CA MET A 52 -1.654 7.092 -6.509 1.00 0.00 C ATOM 781 C MET A 52 -2.869 8.038 -6.555 1.00 0.00 C ATOM 782 O MET A 52 -3.536 8.222 -5.541 1.00 0.00 O ATOM 783 CB MET A 52 -0.942 7.206 -5.127 1.00 0.00 C ATOM 784 CG MET A 52 0.033 6.074 -4.792 1.00 0.00 C ATOM 785 SD MET A 52 -0.801 4.479 -4.630 1.00 0.00 S ATOM 786 CE MET A 52 0.499 3.468 -3.930 1.00 0.00 C ATOM 0 H MET A 52 -0.144 8.264 -7.395 1.00 0.00 H new ATOM 0 HA MET A 52 -2.012 6.073 -6.656 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.399 8.151 -5.094 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.703 7.249 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.792 6.008 -5.572 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.552 6.307 -3.862 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.464 2.473 -4.373 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.467 3.924 -4.138 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.359 3.390 -2.852 1.00 0.00 H new ATOM 796 N GLU A 53 -3.180 8.579 -7.751 1.00 0.00 N ATOM 797 CA GLU A 53 -4.191 9.653 -7.910 1.00 0.00 C ATOM 798 C GLU A 53 -5.573 9.159 -7.464 1.00 0.00 C ATOM 799 O GLU A 53 -6.160 9.677 -6.503 1.00 0.00 O ATOM 800 CB GLU A 53 -4.254 10.158 -9.386 1.00 0.00 C ATOM 801 CG GLU A 53 -2.887 10.442 -10.035 1.00 0.00 C ATOM 802 CD GLU A 53 -2.038 11.494 -9.298 1.00 0.00 C ATOM 803 OE1 GLU A 53 -1.278 11.132 -8.368 1.00 0.00 O ATOM 804 OE2 GLU A 53 -2.106 12.684 -9.660 1.00 0.00 O ATOM 0 H GLU A 53 -2.745 8.290 -8.627 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.891 10.488 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.777 9.414 -9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.851 11.070 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.323 9.511 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.048 10.776 -11.060 1.00 0.00 H new ATOM 811 N ASP A 54 -6.058 8.129 -8.162 1.00 0.00 N ATOM 812 CA ASP A 54 -7.366 7.511 -7.890 1.00 0.00 C ATOM 813 C ASP A 54 -7.203 6.298 -6.945 1.00 0.00 C ATOM 814 O ASP A 54 -8.174 5.831 -6.334 1.00 0.00 O ATOM 815 CB ASP A 54 -8.012 7.093 -9.241 1.00 0.00 C ATOM 816 CG ASP A 54 -9.493 6.701 -9.122 1.00 0.00 C ATOM 817 OD1 ASP A 54 -10.321 7.588 -8.817 1.00 0.00 O ATOM 818 OD2 ASP A 54 -9.843 5.515 -9.327 1.00 0.00 O ATOM 0 H ASP A 54 -5.555 7.695 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.019 8.226 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.919 7.917 -9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.455 6.253 -9.655 1.00 0.00 H new ATOM 823 N LEU A 55 -5.948 5.816 -6.818 1.00 0.00 N ATOM 824 CA LEU A 55 -5.595 4.609 -6.034 1.00 0.00 C ATOM 825 C LEU A 55 -5.369 4.925 -4.550 1.00 0.00 C ATOM 826 O LEU A 55 -5.360 4.019 -3.706 1.00 0.00 O ATOM 827 CB LEU A 55 -4.328 3.922 -6.625 1.00 0.00 C ATOM 828 CG LEU A 55 -4.498 3.309 -8.060 1.00 0.00 C ATOM 829 CD1 LEU A 55 -4.478 4.380 -9.173 1.00 0.00 C ATOM 830 CD2 LEU A 55 -3.451 2.208 -8.326 1.00 0.00 C ATOM 0 H LEU A 55 -5.142 6.257 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.444 3.928 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.520 4.653 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.015 3.129 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.487 2.852 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.599 3.899 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.293 5.086 -9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.527 4.912 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.595 1.803 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.450 2.631 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.567 1.410 -7.592 1.00 0.00 H new ATOM 842 N ALA A 56 -5.169 6.207 -4.260 1.00 0.00 N ATOM 843 CA ALA A 56 -4.938 6.716 -2.904 1.00 0.00 C ATOM 844 C ALA A 56 -5.338 8.205 -2.872 1.00 0.00 C ATOM 845 O ALA A 56 -6.220 8.621 -3.648 1.00 0.00 O ATOM 846 CB ALA A 56 -3.467 6.478 -2.488 1.00 0.00 C ATOM 0 H ALA A 56 -5.162 6.938 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.550 6.183 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.308 6.860 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.251 5.410 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.804 6.996 -3.181 1.00 0.00 H new ATOM 852 N PHE A 57 -4.715 8.989 -1.964 1.00 0.00 N ATOM 853 CA PHE A 57 -4.950 10.435 -1.811 1.00 0.00 C ATOM 854 C PHE A 57 -6.394 10.745 -1.405 1.00 0.00 C ATOM 855 O PHE A 57 -7.146 11.424 -2.119 1.00 0.00 O ATOM 856 CB PHE A 57 -4.487 11.257 -3.053 1.00 0.00 C ATOM 857 CG PHE A 57 -2.970 11.383 -3.177 1.00 0.00 C ATOM 858 CD1 PHE A 57 -2.242 12.100 -2.227 1.00 0.00 C ATOM 859 CD2 PHE A 57 -2.277 10.806 -4.237 1.00 0.00 C ATOM 860 CE1 PHE A 57 -0.876 12.234 -2.339 1.00 0.00 C ATOM 861 CE2 PHE A 57 -0.911 10.939 -4.342 1.00 0.00 C ATOM 862 CZ PHE A 57 -0.210 11.657 -3.394 1.00 0.00 C ATOM 0 H PHE A 57 -4.024 8.625 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.318 10.763 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.878 10.787 -3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.922 12.255 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.756 12.556 -1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.818 10.247 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.327 12.794 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.387 10.481 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.861 11.765 -3.481 1.00 0.00 H new ATOM 872 N ASP A 58 -6.732 10.221 -0.229 1.00 0.00 N ATOM 873 CA ASP A 58 -8.024 10.384 0.431 1.00 0.00 C ATOM 874 C ASP A 58 -7.927 9.677 1.775 1.00 0.00 C ATOM 875 O ASP A 58 -7.382 8.578 1.825 1.00 0.00 O ATOM 876 CB ASP A 58 -9.181 9.780 -0.412 1.00 0.00 C ATOM 877 CG ASP A 58 -10.532 9.815 0.313 1.00 0.00 C ATOM 878 OD1 ASP A 58 -11.126 10.907 0.435 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.988 8.760 0.795 1.00 0.00 O ATOM 0 H ASP A 58 -6.085 9.647 0.312 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.248 11.444 0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.264 10.328 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.938 8.748 -0.666 1.00 0.00 H new ATOM 884 N SER A 59 -8.458 10.297 2.844 1.00 0.00 N ATOM 885 CA SER A 59 -8.344 9.778 4.224 1.00 0.00 C ATOM 886 C SER A 59 -8.899 8.345 4.343 1.00 0.00 C ATOM 887 O SER A 59 -8.345 7.527 5.068 1.00 0.00 O ATOM 888 CB SER A 59 -9.083 10.709 5.209 1.00 0.00 C ATOM 889 OG SER A 59 -8.590 12.037 5.143 1.00 0.00 O ATOM 0 H SER A 59 -8.979 11.172 2.778 1.00 0.00 H new ATOM 0 HA SER A 59 -7.284 9.750 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.149 10.705 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.970 10.329 6.224 1.00 0.00 H new ATOM 0 HG SER A 59 -9.081 12.600 5.778 1.00 0.00 H new ATOM 895 N LEU A 60 -9.968 8.048 3.585 1.00 0.00 N ATOM 896 CA LEU A 60 -10.676 6.759 3.668 1.00 0.00 C ATOM 897 C LEU A 60 -9.942 5.675 2.846 1.00 0.00 C ATOM 898 O LEU A 60 -9.866 4.520 3.277 1.00 0.00 O ATOM 899 CB LEU A 60 -12.162 6.898 3.204 1.00 0.00 C ATOM 900 CG LEU A 60 -13.091 7.842 4.059 1.00 0.00 C ATOM 901 CD1 LEU A 60 -12.729 9.341 3.915 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.580 7.614 3.716 1.00 0.00 C ATOM 0 H LEU A 60 -10.364 8.692 2.900 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.682 6.449 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.164 7.261 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.608 5.904 3.192 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.920 7.573 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.404 9.939 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.702 9.501 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.825 9.640 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.198 8.278 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.746 7.825 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.847 6.578 3.926 1.00 0.00 H new ATOM 914 N VAL A 61 -9.398 6.063 1.663 1.00 0.00 N ATOM 915 CA VAL A 61 -8.616 5.134 0.796 1.00 0.00 C ATOM 916 C VAL A 61 -7.265 4.777 1.455 1.00 0.00 C ATOM 917 O VAL A 61 -6.809 3.629 1.407 1.00 0.00 O ATOM 918 CB VAL A 61 -8.356 5.716 -0.654 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.616 4.682 -1.539 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.679 6.137 -1.330 1.00 0.00 C ATOM 0 H VAL A 61 -9.484 7.007 1.287 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.225 4.236 0.687 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.727 6.599 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.449 5.105 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.657 4.434 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.221 3.779 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.470 6.533 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.336 5.271 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.166 6.905 -0.729 1.00 0.00 H new ATOM 930 N VAL A 62 -6.652 5.787 2.075 1.00 0.00 N ATOM 931 CA VAL A 62 -5.379 5.650 2.805 1.00 0.00 C ATOM 932 C VAL A 62 -5.595 4.893 4.137 1.00 0.00 C ATOM 933 O VAL A 62 -4.707 4.170 4.578 1.00 0.00 O ATOM 934 CB VAL A 62 -4.712 7.069 3.027 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.520 7.013 4.002 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.273 7.685 1.663 1.00 0.00 C ATOM 0 H VAL A 62 -7.025 6.736 2.088 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.688 5.057 2.205 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.467 7.710 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.099 8.011 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.859 6.646 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.758 6.342 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.817 8.660 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.551 7.026 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.145 7.800 1.019 1.00 0.00 H new ATOM 946 N SER A 63 -6.793 5.047 4.748 1.00 0.00 N ATOM 947 CA SER A 63 -7.186 4.269 5.950 1.00 0.00 C ATOM 948 C SER A 63 -7.398 2.790 5.583 1.00 0.00 C ATOM 949 O SER A 63 -7.120 1.897 6.381 1.00 0.00 O ATOM 950 CB SER A 63 -8.466 4.851 6.601 1.00 0.00 C ATOM 951 OG SER A 63 -8.816 4.160 7.794 1.00 0.00 O ATOM 0 H SER A 63 -7.506 5.703 4.429 1.00 0.00 H new ATOM 0 HA SER A 63 -6.377 4.340 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.312 5.907 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.292 4.793 5.892 1.00 0.00 H new ATOM 0 HG SER A 63 -9.627 4.557 8.176 1.00 0.00 H new ATOM 957 N GLU A 64 -7.894 2.566 4.354 1.00 0.00 N ATOM 958 CA GLU A 64 -8.111 1.230 3.783 1.00 0.00 C ATOM 959 C GLU A 64 -6.754 0.561 3.471 1.00 0.00 C ATOM 960 O GLU A 64 -6.567 -0.634 3.716 1.00 0.00 O ATOM 961 CB GLU A 64 -8.963 1.359 2.488 1.00 0.00 C ATOM 962 CG GLU A 64 -9.496 0.031 1.911 1.00 0.00 C ATOM 963 CD GLU A 64 -10.515 -0.656 2.833 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.639 -0.136 2.970 1.00 0.00 O ATOM 965 OE2 GLU A 64 -10.208 -1.723 3.410 1.00 0.00 O ATOM 0 H GLU A 64 -8.159 3.321 3.722 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.644 0.607 4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.811 2.012 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.361 1.851 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.960 0.222 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.659 -0.645 1.736 1.00 0.00 H new ATOM 972 N LEU A 65 -5.814 1.374 2.944 1.00 0.00 N ATOM 973 CA LEU A 65 -4.470 0.923 2.535 1.00 0.00 C ATOM 974 C LEU A 65 -3.570 0.662 3.762 1.00 0.00 C ATOM 975 O LEU A 65 -2.751 -0.256 3.743 1.00 0.00 O ATOM 976 CB LEU A 65 -3.816 1.971 1.583 1.00 0.00 C ATOM 977 CG LEU A 65 -2.443 1.570 0.942 1.00 0.00 C ATOM 978 CD1 LEU A 65 -2.555 0.267 0.111 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.871 2.736 0.090 1.00 0.00 C ATOM 0 H LEU A 65 -5.970 2.370 2.790 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.576 -0.019 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.519 2.187 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.675 2.897 2.140 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.745 1.371 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.582 0.023 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.883 -0.549 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.279 0.408 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.918 2.435 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.572 2.982 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.721 3.610 0.724 1.00 0.00 H new ATOM 991 N SER A 66 -3.732 1.472 4.827 1.00 0.00 N ATOM 992 CA SER A 66 -2.971 1.307 6.082 1.00 0.00 C ATOM 993 C SER A 66 -3.472 0.082 6.836 1.00 0.00 C ATOM 994 O SER A 66 -2.678 -0.659 7.399 1.00 0.00 O ATOM 995 CB SER A 66 -3.070 2.567 6.966 1.00 0.00 C ATOM 996 OG SER A 66 -4.417 2.927 7.215 1.00 0.00 O ATOM 0 H SER A 66 -4.388 2.253 4.843 1.00 0.00 H new ATOM 0 HA SER A 66 -1.920 1.163 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.560 2.389 7.913 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.556 3.395 6.478 1.00 0.00 H new ATOM 0 HG SER A 66 -4.476 3.895 7.356 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.805 -0.096 6.840 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.464 -1.310 7.366 1.00 0.00 C ATOM 1004 C LEU A 67 -4.961 -2.561 6.622 1.00 0.00 C ATOM 1005 O LEU A 67 -4.747 -3.623 7.228 1.00 0.00 O ATOM 1006 CB LEU A 67 -7.006 -1.178 7.220 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.855 -2.413 7.656 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.696 -2.720 9.166 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -9.338 -2.230 7.257 1.00 0.00 C ATOM 0 H LEU A 67 -5.459 0.598 6.478 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.216 -1.416 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.331 -0.317 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.232 -0.960 6.176 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.473 -3.283 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.304 -3.587 9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.650 -2.931 9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.023 -1.859 9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.910 -3.103 7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.738 -1.340 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.413 -2.117 6.175 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.766 -2.397 5.303 1.00 0.00 N ATOM 1022 CA LYS A 68 -4.299 -3.467 4.420 1.00 0.00 C ATOM 1023 C LYS A 68 -2.880 -3.905 4.811 1.00 0.00 C ATOM 1024 O LYS A 68 -2.681 -5.057 5.136 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.380 -3.040 2.903 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.312 -3.924 2.037 1.00 0.00 C ATOM 1027 CD LYS A 68 -4.915 -5.419 2.096 1.00 0.00 C ATOM 1028 CE LYS A 68 -5.962 -6.334 1.458 1.00 0.00 C ATOM 1029 NZ LYS A 68 -5.604 -7.772 1.639 1.00 0.00 N ATOM 0 H LYS A 68 -4.930 -1.513 4.822 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.961 -4.324 4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.724 -2.007 2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.377 -3.065 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.341 -3.809 2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.279 -3.581 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.960 -5.557 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.769 -5.711 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.938 -6.141 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.047 -6.109 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.031 -8.335 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.570 -7.878 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.962 -8.106 2.557 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.923 -2.960 4.803 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.497 -3.233 5.112 1.00 0.00 C ATOM 1045 C LEU A 69 -0.321 -3.749 6.553 1.00 0.00 C ATOM 1046 O LEU A 69 0.529 -4.598 6.810 1.00 0.00 O ATOM 1047 CB LEU A 69 0.349 -1.953 4.913 1.00 0.00 C ATOM 1048 CG LEU A 69 0.345 -1.337 3.481 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.185 -0.043 3.423 1.00 0.00 C ATOM 1050 CD2 LEU A 69 0.817 -2.359 2.425 1.00 0.00 C ATOM 0 H LEU A 69 -2.111 -1.982 4.582 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.154 -4.008 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.007 -1.196 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.380 -2.179 5.185 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.685 -1.072 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.161 0.361 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.772 0.690 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.215 -0.265 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.802 -1.896 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.832 -2.682 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.151 -3.222 2.431 1.00 0.00 H new ATOM 1062 N ARG A 70 -1.145 -3.200 7.464 1.00 0.00 N ATOM 1063 CA ARG A 70 -1.216 -3.598 8.889 1.00 0.00 C ATOM 1064 C ARG A 70 -1.507 -5.098 9.024 1.00 0.00 C ATOM 1065 O ARG A 70 -0.897 -5.795 9.836 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.332 -2.758 9.576 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.650 -3.071 11.052 1.00 0.00 C ATOM 1068 CD ARG A 70 -3.724 -2.114 11.609 1.00 0.00 C ATOM 1069 NE ARG A 70 -4.030 -2.370 13.022 1.00 0.00 N ATOM 1070 CZ ARG A 70 -5.074 -1.846 13.691 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -5.929 -1.019 13.093 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -5.263 -2.148 14.962 1.00 0.00 N ATOM 0 H ARG A 70 -1.796 -2.451 7.229 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.257 -3.409 9.372 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.052 -1.707 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.249 -2.882 9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.996 -4.101 11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.741 -2.987 11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.383 -1.085 11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.635 -2.214 11.020 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.405 -2.991 13.535 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.799 -0.773 12.112 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.714 -0.632 13.616 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.618 -2.779 15.438 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.054 -1.751 15.468 1.00 0.00 H new ATOM 1086 N LYS A 71 -2.442 -5.571 8.189 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.891 -6.971 8.179 1.00 0.00 C ATOM 1088 C LYS A 71 -1.987 -7.844 7.275 1.00 0.00 C ATOM 1089 O LYS A 71 -1.747 -9.014 7.580 1.00 0.00 O ATOM 1090 CB LYS A 71 -4.379 -7.027 7.704 1.00 0.00 C ATOM 1091 CG LYS A 71 -5.005 -8.443 7.624 1.00 0.00 C ATOM 1092 CD LYS A 71 -5.054 -9.179 8.984 1.00 0.00 C ATOM 1093 CE LYS A 71 -6.000 -8.518 10.004 1.00 0.00 C ATOM 1094 NZ LYS A 71 -6.084 -9.310 11.261 1.00 0.00 N ATOM 0 H LYS A 71 -2.912 -4.989 7.496 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.819 -7.375 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.981 -6.421 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.445 -6.564 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.017 -8.361 7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.434 -9.044 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.371 -10.209 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.049 -9.218 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.648 -7.511 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.994 -8.418 9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.729 -8.838 11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.443 -10.262 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.139 -9.384 11.688 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.455 -7.254 6.194 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.842 -8.012 5.085 1.00 0.00 C ATOM 1110 C GLU A 72 0.666 -8.234 5.309 1.00 0.00 C ATOM 1111 O GLU A 72 1.152 -9.367 5.289 1.00 0.00 O ATOM 1112 CB GLU A 72 -1.065 -7.253 3.747 1.00 0.00 C ATOM 1113 CG GLU A 72 -0.772 -8.074 2.479 1.00 0.00 C ATOM 1114 CD GLU A 72 -1.825 -9.165 2.219 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -2.885 -8.855 1.632 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -1.600 -10.335 2.609 1.00 0.00 O ATOM 0 H GLU A 72 -1.436 -6.243 6.061 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.321 -8.990 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.099 -6.910 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.434 -6.364 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.729 -7.404 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.210 -8.538 2.571 1.00 0.00 H new ATOM 1123 N PHE A 73 1.398 -7.123 5.523 1.00 0.00 N ATOM 1124 CA PHE A 73 2.869 -7.126 5.706 1.00 0.00 C ATOM 1125 C PHE A 73 3.242 -6.766 7.162 1.00 0.00 C ATOM 1126 O PHE A 73 4.424 -6.748 7.512 1.00 0.00 O ATOM 1127 CB PHE A 73 3.530 -6.122 4.715 1.00 0.00 C ATOM 1128 CG PHE A 73 3.291 -6.430 3.229 1.00 0.00 C ATOM 1129 CD1 PHE A 73 4.016 -7.433 2.580 1.00 0.00 C ATOM 1130 CD2 PHE A 73 2.354 -5.714 2.480 1.00 0.00 C ATOM 1131 CE1 PHE A 73 3.811 -7.709 1.237 1.00 0.00 C ATOM 1132 CE2 PHE A 73 2.151 -5.990 1.135 1.00 0.00 C ATOM 1133 CZ PHE A 73 2.880 -6.985 0.514 1.00 0.00 C ATOM 0 H PHE A 73 0.986 -6.191 5.575 1.00 0.00 H new ATOM 0 HA PHE A 73 3.242 -8.129 5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.154 -5.122 4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.604 -6.105 4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.748 -8.002 3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.778 -4.933 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.379 -8.491 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.422 -5.426 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.724 -7.197 -0.533 1.00 0.00 H new ATOM 1143 N GLY A 74 2.222 -6.477 8.001 1.00 0.00 N ATOM 1144 CA GLY A 74 2.423 -6.068 9.401 1.00 0.00 C ATOM 1145 C GLY A 74 2.867 -4.608 9.547 1.00 0.00 C ATOM 1146 O GLY A 74 3.187 -4.165 10.655 1.00 0.00 O ATOM 0 H GLY A 74 1.241 -6.522 7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.494 -6.215 9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.171 -6.716 9.858 1.00 0.00 H new ATOM 1150 N VAL A 75 2.870 -3.860 8.421 1.00 0.00 N ATOM 1151 CA VAL A 75 3.351 -2.467 8.368 1.00 0.00 C ATOM 1152 C VAL A 75 2.232 -1.508 8.860 1.00 0.00 C ATOM 1153 O VAL A 75 1.323 -1.135 8.104 1.00 0.00 O ATOM 1154 CB VAL A 75 3.841 -2.097 6.905 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.448 -0.682 6.842 1.00 0.00 C ATOM 1156 CG2 VAL A 75 4.857 -3.141 6.380 1.00 0.00 C ATOM 0 H VAL A 75 2.537 -4.209 7.522 1.00 0.00 H new ATOM 0 HA VAL A 75 4.209 -2.357 9.031 1.00 0.00 H new ATOM 0 HB VAL A 75 2.961 -2.110 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.770 -0.469 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.699 0.049 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.305 -0.623 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.177 -2.864 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.723 -3.171 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.387 -4.124 6.353 1.00 0.00 H new ATOM 1166 N THR A 76 2.293 -1.167 10.162 1.00 0.00 N ATOM 1167 CA THR A 76 1.235 -0.422 10.879 1.00 0.00 C ATOM 1168 C THR A 76 1.707 1.003 11.256 1.00 0.00 C ATOM 1169 O THR A 76 2.910 1.255 11.361 1.00 0.00 O ATOM 1170 CB THR A 76 0.848 -1.213 12.169 1.00 0.00 C ATOM 1171 OG1 THR A 76 0.605 -2.582 11.821 1.00 0.00 O ATOM 1172 CG2 THR A 76 -0.394 -0.636 12.879 1.00 0.00 C ATOM 0 H THR A 76 3.089 -1.404 10.755 1.00 0.00 H new ATOM 0 HA THR A 76 0.370 -0.322 10.224 1.00 0.00 H new ATOM 0 HB THR A 76 1.681 -1.127 12.866 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.363 -3.086 12.626 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.613 -1.228 13.768 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.200 0.397 13.169 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.248 -0.668 12.202 1.00 0.00 H new ATOM 1180 N GLY A 77 0.742 1.934 11.429 1.00 0.00 N ATOM 1181 CA GLY A 77 1.032 3.308 11.859 1.00 0.00 C ATOM 1182 C GLY A 77 1.581 4.193 10.741 1.00 0.00 C ATOM 1183 O GLY A 77 1.890 5.368 10.961 1.00 0.00 O ATOM 0 H GLY A 77 -0.249 1.750 11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.120 3.757 12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.752 3.280 12.677 1.00 0.00 H new ATOM 1187 N VAL A 78 1.672 3.623 9.529 1.00 0.00 N ATOM 1188 CA VAL A 78 2.249 4.289 8.349 1.00 0.00 C ATOM 1189 C VAL A 78 1.164 5.000 7.512 1.00 0.00 C ATOM 1190 O VAL A 78 1.421 5.384 6.377 1.00 0.00 O ATOM 1191 CB VAL A 78 3.033 3.239 7.473 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.169 2.572 8.296 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.072 2.177 6.863 1.00 0.00 C ATOM 0 H VAL A 78 1.344 2.676 9.338 1.00 0.00 H new ATOM 0 HA VAL A 78 2.944 5.054 8.694 1.00 0.00 H new ATOM 0 HB VAL A 78 3.493 3.773 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.696 1.851 7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.868 3.336 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.741 2.060 9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.645 1.469 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.561 1.645 7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.336 2.673 6.231 1.00 0.00 H new ATOM 1203 N ASP A 79 -0.024 5.204 8.113 1.00 0.00 N ATOM 1204 CA ASP A 79 -1.183 5.852 7.462 1.00 0.00 C ATOM 1205 C ASP A 79 -0.802 7.237 6.906 1.00 0.00 C ATOM 1206 O ASP A 79 -0.996 7.526 5.720 1.00 0.00 O ATOM 1207 CB ASP A 79 -2.343 5.974 8.483 1.00 0.00 C ATOM 1208 CG ASP A 79 -3.590 6.656 7.902 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -4.405 5.965 7.259 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.766 7.883 8.090 1.00 0.00 O ATOM 0 H ASP A 79 -0.210 4.921 9.075 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.505 5.237 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.613 4.979 8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.998 6.539 9.349 1.00 0.00 H new ATOM 1215 N ASP A 80 -0.217 8.058 7.784 1.00 0.00 N ATOM 1216 CA ASP A 80 0.299 9.388 7.436 1.00 0.00 C ATOM 1217 C ASP A 80 1.347 9.296 6.302 1.00 0.00 C ATOM 1218 O ASP A 80 1.291 10.062 5.345 1.00 0.00 O ATOM 1219 CB ASP A 80 0.895 10.046 8.707 1.00 0.00 C ATOM 1220 CG ASP A 80 1.611 11.391 8.461 1.00 0.00 C ATOM 1221 OD1 ASP A 80 1.017 12.293 7.834 1.00 0.00 O ATOM 1222 OD2 ASP A 80 2.758 11.554 8.923 1.00 0.00 O ATOM 0 H ASP A 80 -0.087 7.816 8.766 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.516 10.009 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.093 10.203 9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.601 9.352 9.162 1.00 0.00 H new ATOM 1227 N GLU A 81 2.244 8.300 6.397 1.00 0.00 N ATOM 1228 CA GLU A 81 3.312 8.073 5.399 1.00 0.00 C ATOM 1229 C GLU A 81 2.722 7.790 3.992 1.00 0.00 C ATOM 1230 O GLU A 81 3.248 8.275 2.993 1.00 0.00 O ATOM 1231 CB GLU A 81 4.235 6.904 5.852 1.00 0.00 C ATOM 1232 CG GLU A 81 4.840 7.072 7.263 1.00 0.00 C ATOM 1233 CD GLU A 81 5.697 8.344 7.409 1.00 0.00 C ATOM 1234 OE1 GLU A 81 6.843 8.359 6.914 1.00 0.00 O ATOM 1235 OE2 GLU A 81 5.236 9.328 8.024 1.00 0.00 O ATOM 0 H GLU A 81 2.252 7.629 7.165 1.00 0.00 H new ATOM 0 HA GLU A 81 3.907 8.984 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.664 5.976 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.047 6.800 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.034 7.099 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.452 6.201 7.495 1.00 0.00 H new ATOM 1242 N LEU A 82 1.589 7.053 3.960 1.00 0.00 N ATOM 1243 CA LEU A 82 0.877 6.681 2.712 1.00 0.00 C ATOM 1244 C LEU A 82 0.296 7.913 2.018 1.00 0.00 C ATOM 1245 O LEU A 82 0.232 7.969 0.787 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.263 5.682 3.012 1.00 0.00 C ATOM 1247 CG LEU A 82 0.156 4.333 3.646 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -1.071 3.496 4.030 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.090 3.550 2.720 1.00 0.00 C ATOM 0 H LEU A 82 1.139 6.697 4.803 1.00 0.00 H new ATOM 0 HA LEU A 82 1.605 6.213 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.976 6.167 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.789 5.473 2.080 1.00 0.00 H new ATOM 0 HG LEU A 82 0.707 4.555 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.745 2.555 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.675 4.046 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.665 3.292 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.366 2.608 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.582 3.347 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.988 4.137 2.529 1.00 0.00 H new ATOM 1261 N ASP A 83 -0.155 8.878 2.838 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.608 10.196 2.351 1.00 0.00 C ATOM 1263 C ASP A 83 0.528 10.916 1.584 1.00 0.00 C ATOM 1264 O ASP A 83 0.291 11.501 0.522 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.111 11.060 3.541 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.438 12.521 3.174 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -2.573 12.805 2.731 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.560 13.398 3.329 1.00 0.00 O ATOM 0 H ASP A 83 -0.216 8.769 3.850 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.436 10.048 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.003 10.595 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.352 11.056 4.323 1.00 0.00 H new ATOM 1273 N LEU A 84 1.754 10.853 2.136 1.00 0.00 N ATOM 1274 CA LEU A 84 2.952 11.479 1.521 1.00 0.00 C ATOM 1275 C LEU A 84 3.428 10.727 0.247 1.00 0.00 C ATOM 1276 O LEU A 84 4.146 11.307 -0.576 1.00 0.00 O ATOM 1277 CB LEU A 84 4.121 11.590 2.555 1.00 0.00 C ATOM 1278 CG LEU A 84 4.032 12.741 3.620 1.00 0.00 C ATOM 1279 CD1 LEU A 84 3.919 14.127 2.949 1.00 0.00 C ATOM 1280 CD2 LEU A 84 2.886 12.520 4.623 1.00 0.00 C ATOM 0 H LEU A 84 1.947 10.372 3.014 1.00 0.00 H new ATOM 0 HA LEU A 84 2.655 12.482 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.192 10.642 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.051 11.714 2.001 1.00 0.00 H new ATOM 0 HG LEU A 84 4.964 12.715 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.859 14.899 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.796 14.302 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.022 14.160 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.865 13.342 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.937 12.481 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.043 11.581 5.153 1.00 0.00 H new ATOM 1292 N LEU A 85 3.041 9.443 0.096 1.00 0.00 N ATOM 1293 CA LEU A 85 3.418 8.631 -1.084 1.00 0.00 C ATOM 1294 C LEU A 85 2.562 9.018 -2.307 1.00 0.00 C ATOM 1295 O LEU A 85 1.325 9.000 -2.241 1.00 0.00 O ATOM 1296 CB LEU A 85 3.252 7.128 -0.786 1.00 0.00 C ATOM 1297 CG LEU A 85 4.081 6.580 0.409 1.00 0.00 C ATOM 1298 CD1 LEU A 85 3.734 5.113 0.672 1.00 0.00 C ATOM 1299 CD2 LEU A 85 5.601 6.773 0.201 1.00 0.00 C ATOM 0 H LEU A 85 2.467 8.944 0.776 1.00 0.00 H new ATOM 0 HA LEU A 85 4.465 8.832 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.198 6.929 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.524 6.567 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 85 3.812 7.161 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.323 4.745 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.673 5.027 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.958 4.521 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.139 6.375 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.915 6.245 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.822 7.835 0.094 1.00 0.00 H new ATOM 1311 N GLU A 86 3.240 9.338 -3.417 1.00 0.00 N ATOM 1312 CA GLU A 86 2.595 9.802 -4.661 1.00 0.00 C ATOM 1313 C GLU A 86 2.542 8.673 -5.715 1.00 0.00 C ATOM 1314 O GLU A 86 1.666 8.675 -6.590 1.00 0.00 O ATOM 1315 CB GLU A 86 3.371 11.020 -5.212 1.00 0.00 C ATOM 1316 CG GLU A 86 2.756 11.671 -6.466 1.00 0.00 C ATOM 1317 CD GLU A 86 3.704 12.676 -7.133 1.00 0.00 C ATOM 1318 OE1 GLU A 86 4.580 12.244 -7.915 1.00 0.00 O ATOM 1319 OE2 GLU A 86 3.591 13.890 -6.879 1.00 0.00 O ATOM 0 H GLU A 86 4.256 9.283 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 86 1.568 10.094 -4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.440 11.773 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.389 10.708 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.494 10.893 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.830 12.177 -6.192 1.00 0.00 H new ATOM 1326 N THR A 87 3.494 7.716 -5.635 1.00 0.00 N ATOM 1327 CA THR A 87 3.595 6.590 -6.590 1.00 0.00 C ATOM 1328 C THR A 87 3.744 5.243 -5.853 1.00 0.00 C ATOM 1329 O THR A 87 4.065 5.193 -4.649 1.00 0.00 O ATOM 1330 CB THR A 87 4.784 6.789 -7.586 1.00 0.00 C ATOM 1331 OG1 THR A 87 5.983 7.040 -6.850 1.00 0.00 O ATOM 1332 CG2 THR A 87 4.553 7.943 -8.577 1.00 0.00 C ATOM 0 H THR A 87 4.211 7.703 -4.910 1.00 0.00 H new ATOM 0 HA THR A 87 2.667 6.572 -7.162 1.00 0.00 H new ATOM 0 HB THR A 87 4.866 5.872 -8.169 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.854 7.819 -6.270 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.413 8.030 -9.241 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.658 7.743 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.424 8.875 -8.027 1.00 0.00 H new ATOM 1340 N VAL A 88 3.509 4.162 -6.613 1.00 0.00 N ATOM 1341 CA VAL A 88 3.526 2.786 -6.112 1.00 0.00 C ATOM 1342 C VAL A 88 4.960 2.350 -5.739 1.00 0.00 C ATOM 1343 O VAL A 88 5.148 1.631 -4.755 1.00 0.00 O ATOM 1344 CB VAL A 88 2.889 1.802 -7.172 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.948 0.331 -6.706 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.431 2.212 -7.502 1.00 0.00 C ATOM 0 H VAL A 88 3.299 4.225 -7.609 1.00 0.00 H new ATOM 0 HA VAL A 88 2.922 2.745 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 88 3.486 1.880 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.499 -0.309 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.987 0.039 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.399 0.224 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.015 1.519 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.830 2.183 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.421 3.222 -7.912 1.00 0.00 H new ATOM 1356 N ASP A 89 5.962 2.813 -6.518 1.00 0.00 N ATOM 1357 CA ASP A 89 7.391 2.503 -6.265 1.00 0.00 C ATOM 1358 C ASP A 89 7.894 3.173 -4.978 1.00 0.00 C ATOM 1359 O ASP A 89 8.806 2.650 -4.323 1.00 0.00 O ATOM 1360 CB ASP A 89 8.281 2.886 -7.478 1.00 0.00 C ATOM 1361 CG ASP A 89 8.221 4.373 -7.848 1.00 0.00 C ATOM 1362 OD1 ASP A 89 7.320 4.770 -8.621 1.00 0.00 O ATOM 1363 OD2 ASP A 89 9.083 5.151 -7.377 1.00 0.00 O ATOM 0 H ASP A 89 5.808 3.407 -7.333 1.00 0.00 H new ATOM 0 HA ASP A 89 7.466 1.424 -6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.314 2.618 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.976 2.294 -8.341 1.00 0.00 H new ATOM 1368 N GLU A 90 7.299 4.332 -4.622 1.00 0.00 N ATOM 1369 CA GLU A 90 7.543 4.985 -3.319 1.00 0.00 C ATOM 1370 C GLU A 90 6.988 4.121 -2.171 1.00 0.00 C ATOM 1371 O GLU A 90 7.605 4.026 -1.106 1.00 0.00 O ATOM 1372 CB GLU A 90 6.920 6.401 -3.266 1.00 0.00 C ATOM 1373 CG GLU A 90 7.641 7.460 -4.118 1.00 0.00 C ATOM 1374 CD GLU A 90 7.001 8.846 -3.970 1.00 0.00 C ATOM 1375 OE1 GLU A 90 5.970 9.089 -4.611 1.00 0.00 O ATOM 1376 OE2 GLU A 90 7.505 9.681 -3.192 1.00 0.00 O ATOM 0 H GLU A 90 6.645 4.835 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 90 8.622 5.087 -3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.882 6.338 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.907 6.737 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.689 7.511 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.619 7.160 -5.166 1.00 0.00 H new ATOM 1383 N LEU A 91 5.808 3.510 -2.395 1.00 0.00 N ATOM 1384 CA LEU A 91 5.212 2.561 -1.430 1.00 0.00 C ATOM 1385 C LEU A 91 6.115 1.324 -1.242 1.00 0.00 C ATOM 1386 O LEU A 91 6.335 0.884 -0.113 1.00 0.00 O ATOM 1387 CB LEU A 91 3.775 2.164 -1.864 1.00 0.00 C ATOM 1388 CG LEU A 91 3.050 1.090 -0.985 1.00 0.00 C ATOM 1389 CD1 LEU A 91 3.006 1.478 0.509 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.630 0.806 -1.524 1.00 0.00 C ATOM 0 H LEU A 91 5.248 3.656 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 91 5.137 3.057 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.162 3.065 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.818 1.794 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 91 3.638 0.175 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.493 0.699 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.023 1.588 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.472 2.421 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.146 0.057 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.044 1.725 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.696 0.435 -2.547 1.00 0.00 H new ATOM 1402 N PHE A 92 6.654 0.805 -2.362 1.00 0.00 N ATOM 1403 CA PHE A 92 7.568 -0.351 -2.363 1.00 0.00 C ATOM 1404 C PHE A 92 8.808 -0.083 -1.499 1.00 0.00 C ATOM 1405 O PHE A 92 9.059 -0.815 -0.541 1.00 0.00 O ATOM 1406 CB PHE A 92 7.989 -0.732 -3.815 1.00 0.00 C ATOM 1407 CG PHE A 92 6.998 -1.652 -4.526 1.00 0.00 C ATOM 1408 CD1 PHE A 92 6.837 -2.962 -4.081 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.244 -1.231 -5.617 1.00 0.00 C ATOM 1410 CE1 PHE A 92 5.960 -3.815 -4.703 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.364 -2.094 -6.240 1.00 0.00 C ATOM 1412 CZ PHE A 92 5.221 -3.382 -5.784 1.00 0.00 C ATOM 0 H PHE A 92 6.467 1.177 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 92 7.029 -1.193 -1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.107 0.180 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.964 -1.219 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.410 -3.311 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.348 -0.219 -5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.848 -4.828 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.787 -1.755 -7.088 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.531 -4.055 -6.271 1.00 0.00 H new ATOM 1422 N GLN A 93 9.559 0.984 -1.835 1.00 0.00 N ATOM 1423 CA GLN A 93 10.818 1.319 -1.146 1.00 0.00 C ATOM 1424 C GLN A 93 10.576 1.674 0.332 1.00 0.00 C ATOM 1425 O GLN A 93 11.488 1.542 1.145 1.00 0.00 O ATOM 1426 CB GLN A 93 11.595 2.439 -1.907 1.00 0.00 C ATOM 1427 CG GLN A 93 10.897 3.819 -2.023 1.00 0.00 C ATOM 1428 CD GLN A 93 11.013 4.719 -0.780 1.00 0.00 C ATOM 1429 OE1 GLN A 93 11.993 4.665 -0.047 1.00 0.00 O ATOM 1430 NE2 GLN A 93 10.023 5.558 -0.543 1.00 0.00 N ATOM 0 H GLN A 93 9.312 1.631 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 93 11.451 0.431 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.554 2.584 -1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.808 2.080 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.318 4.350 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.841 3.657 -2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.217 5.585 -1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.064 6.180 0.265 1.00 0.00 H new ATOM 1439 N LEU A 94 9.352 2.134 0.661 1.00 0.00 N ATOM 1440 CA LEU A 94 8.962 2.413 2.054 1.00 0.00 C ATOM 1441 C LEU A 94 8.826 1.099 2.844 1.00 0.00 C ATOM 1442 O LEU A 94 9.389 0.975 3.931 1.00 0.00 O ATOM 1443 CB LEU A 94 7.638 3.230 2.141 1.00 0.00 C ATOM 1444 CG LEU A 94 7.158 3.569 3.597 1.00 0.00 C ATOM 1445 CD1 LEU A 94 8.225 4.377 4.381 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.805 4.308 3.590 1.00 0.00 C ATOM 0 H LEU A 94 8.617 2.320 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 94 9.751 3.021 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.768 4.163 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.850 2.670 1.637 1.00 0.00 H new ATOM 0 HG LEU A 94 7.018 2.619 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.855 4.592 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.144 3.795 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.427 5.313 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.504 4.526 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.903 5.240 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.050 3.680 3.116 1.00 0.00 H new ATOM 1458 N VAL A 95 8.074 0.127 2.283 1.00 0.00 N ATOM 1459 CA VAL A 95 7.846 -1.191 2.924 1.00 0.00 C ATOM 1460 C VAL A 95 9.192 -1.905 3.176 1.00 0.00 C ATOM 1461 O VAL A 95 9.427 -2.402 4.267 1.00 0.00 O ATOM 1462 CB VAL A 95 6.879 -2.112 2.065 1.00 0.00 C ATOM 1463 CG1 VAL A 95 6.731 -3.536 2.674 1.00 0.00 C ATOM 1464 CG2 VAL A 95 5.482 -1.456 1.899 1.00 0.00 C ATOM 0 H VAL A 95 7.610 0.230 1.380 1.00 0.00 H new ATOM 0 HA VAL A 95 7.355 -1.010 3.880 1.00 0.00 H new ATOM 0 HB VAL A 95 7.339 -2.216 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.061 -4.130 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.708 -4.017 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.320 -3.460 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.841 -2.109 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.034 -1.301 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.588 -0.496 1.393 1.00 0.00 H new ATOM 1474 N GLU A 96 10.076 -1.883 2.162 1.00 0.00 N ATOM 1475 CA GLU A 96 11.395 -2.559 2.202 1.00 0.00 C ATOM 1476 C GLU A 96 12.350 -1.902 3.230 1.00 0.00 C ATOM 1477 O GLU A 96 12.992 -2.599 4.033 1.00 0.00 O ATOM 1478 CB GLU A 96 12.025 -2.536 0.785 1.00 0.00 C ATOM 1479 CG GLU A 96 11.184 -3.250 -0.301 1.00 0.00 C ATOM 1480 CD GLU A 96 11.775 -3.109 -1.713 1.00 0.00 C ATOM 1481 OE1 GLU A 96 11.467 -2.112 -2.405 1.00 0.00 O ATOM 1482 OE2 GLU A 96 12.571 -3.981 -2.132 1.00 0.00 O ATOM 0 H GLU A 96 9.899 -1.394 1.285 1.00 0.00 H new ATOM 0 HA GLU A 96 11.242 -3.590 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.178 -1.499 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.009 -3.003 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.103 -4.308 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.173 -2.843 -0.295 1.00 0.00 H new ATOM 1489 N LYS A 97 12.424 -0.554 3.195 1.00 0.00 N ATOM 1490 CA LYS A 97 13.295 0.240 4.091 1.00 0.00 C ATOM 1491 C LYS A 97 12.871 0.059 5.556 1.00 0.00 C ATOM 1492 O LYS A 97 13.661 -0.366 6.390 1.00 0.00 O ATOM 1493 CB LYS A 97 13.245 1.743 3.706 1.00 0.00 C ATOM 1494 CG LYS A 97 14.062 2.687 4.625 1.00 0.00 C ATOM 1495 CD LYS A 97 13.888 4.172 4.242 1.00 0.00 C ATOM 1496 CE LYS A 97 14.674 5.114 5.166 1.00 0.00 C ATOM 1497 NZ LYS A 97 14.494 6.538 4.789 1.00 0.00 N ATOM 0 H LYS A 97 11.882 0.015 2.545 1.00 0.00 H new ATOM 0 HA LYS A 97 14.318 -0.118 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.609 1.852 2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.205 2.068 3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.751 2.542 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.118 2.421 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.217 4.319 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.830 4.432 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.348 4.967 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.733 4.860 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.041 7.140 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.828 6.684 3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.487 6.789 4.850 1.00 0.00 H new ATOM 1511 N HIS A 98 11.594 0.357 5.823 1.00 0.00 N ATOM 1512 CA HIS A 98 11.001 0.340 7.170 1.00 0.00 C ATOM 1513 C HIS A 98 10.955 -1.092 7.767 1.00 0.00 C ATOM 1514 O HIS A 98 10.891 -1.258 8.994 1.00 0.00 O ATOM 1515 CB HIS A 98 9.590 0.983 7.097 1.00 0.00 C ATOM 1516 CG HIS A 98 8.847 1.034 8.400 1.00 0.00 C ATOM 1517 ND1 HIS A 98 9.247 1.804 9.468 1.00 0.00 N ATOM 1518 CD2 HIS A 98 7.739 0.386 8.805 1.00 0.00 C ATOM 1519 CE1 HIS A 98 8.418 1.621 10.470 1.00 0.00 C ATOM 1520 NE2 HIS A 98 7.492 0.766 10.094 1.00 0.00 N ATOM 0 H HIS A 98 10.929 0.622 5.096 1.00 0.00 H new ATOM 0 HA HIS A 98 11.628 0.921 7.846 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.690 1.998 6.713 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.991 0.427 6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.153 -0.307 8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.485 2.093 11.439 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.716 0.440 10.670 1.00 0.00 H new ATOM 1529 N ARG A 99 10.995 -2.109 6.883 1.00 0.00 N ATOM 1530 CA ARG A 99 11.050 -3.529 7.284 1.00 0.00 C ATOM 1531 C ARG A 99 12.413 -3.849 7.930 1.00 0.00 C ATOM 1532 O ARG A 99 12.478 -4.313 9.075 1.00 0.00 O ATOM 1533 CB ARG A 99 10.818 -4.440 6.048 1.00 0.00 C ATOM 1534 CG ARG A 99 10.675 -5.944 6.357 1.00 0.00 C ATOM 1535 CD ARG A 99 10.541 -6.796 5.079 1.00 0.00 C ATOM 1536 NE ARG A 99 10.236 -8.199 5.397 1.00 0.00 N ATOM 1537 CZ ARG A 99 10.836 -9.276 4.875 1.00 0.00 C ATOM 1538 NH1 ARG A 99 11.826 -9.162 4.005 1.00 0.00 N ATOM 1539 NH2 ARG A 99 10.423 -10.478 5.228 1.00 0.00 N ATOM 0 H ARG A 99 10.990 -1.969 5.873 1.00 0.00 H new ATOM 0 HA ARG A 99 10.264 -3.718 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.918 -4.104 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.650 -4.305 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.543 -6.280 6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.801 -6.101 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.753 -6.385 4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.467 -6.744 4.507 1.00 0.00 H new ATOM 0 HE ARG A 99 9.497 -8.368 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.148 -8.238 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.267 -9.998 3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.655 -10.579 5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.872 -11.307 4.837 1.00 0.00 H new ATOM 1553 N ALA A 100 13.497 -3.585 7.170 1.00 0.00 N ATOM 1554 CA ALA A 100 14.873 -3.949 7.570 1.00 0.00 C ATOM 1555 C ALA A 100 15.527 -2.834 8.407 1.00 0.00 C ATOM 1556 O ALA A 100 15.884 -3.040 9.576 1.00 0.00 O ATOM 1557 CB ALA A 100 15.709 -4.262 6.318 1.00 0.00 C ATOM 0 H ALA A 100 13.444 -3.116 6.266 1.00 0.00 H new ATOM 0 HA ALA A 100 14.829 -4.839 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.723 -4.530 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.257 -5.094 5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.740 -3.384 5.673 1.00 0.00 H new ATOM 1563 N ALA A 101 15.686 -1.658 7.783 1.00 0.00 N ATOM 1564 CA ALA A 101 16.282 -0.473 8.419 1.00 0.00 C ATOM 1565 C ALA A 101 15.239 0.228 9.311 1.00 0.00 C ATOM 1566 O ALA A 101 14.551 1.164 8.877 1.00 0.00 O ATOM 1567 CB ALA A 101 16.845 0.474 7.339 1.00 0.00 C ATOM 0 H ALA A 101 15.403 -1.501 6.816 1.00 0.00 H new ATOM 0 HA ALA A 101 17.111 -0.777 9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.285 1.350 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.609 -0.046 6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 101 16.040 0.789 6.675 1.00 0.00 H new