USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 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 180:sc= 0.499 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 147:sc= 0.121 (180deg=-1.31!) USER MOD Single : A 27 MET CE :methyl -171:sc= 0 (180deg=-0.111) USER MOD Single : A 30 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.23) USER MOD Single : A 36 SER OG : rot -7:sc= 0.979 USER MOD Single : A 39 SER OG : rot -76:sc= 0.704 USER MOD Single : A 47 SER OG : rot 180:sc= -0.112 USER MOD Single : A 50 SER OG : rot -140:sc= 0.608 USER MOD Single : A 52 MET CE :methyl -141:sc= -0.706 (180deg=-2.71!) 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 75:sc= 0.672 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 0.855 (180deg=0.238) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0501) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 93 GLN : amide:sc= -0.682 K(o=-0.68,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -133:sc= -0.35 (180deg=-2.21!) USER MOD Single : A 98 HIS : no HD1:sc= 0.0156 K(o=0.016,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 5.351 -10.797 -2.289 1.00 0.00 N ATOM 393 CA MET A 27 5.176 -9.557 -1.516 1.00 0.00 C ATOM 394 C MET A 27 4.864 -8.410 -2.481 1.00 0.00 C ATOM 395 O MET A 27 3.870 -7.707 -2.302 1.00 0.00 O ATOM 396 CB MET A 27 6.454 -9.247 -0.673 1.00 0.00 C ATOM 397 CG MET A 27 6.293 -8.122 0.381 1.00 0.00 C ATOM 398 SD MET A 27 6.018 -6.467 -0.306 1.00 0.00 S ATOM 399 CE MET A 27 7.578 -6.120 -1.123 1.00 0.00 C ATOM 0 HA MET A 27 4.346 -9.676 -0.819 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.763 -10.159 -0.163 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.261 -8.973 -1.353 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.457 -8.372 1.034 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.187 -8.097 1.004 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.597 -5.079 -1.444 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.400 -6.301 -0.430 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.686 -6.770 -1.992 1.00 0.00 H new ATOM 409 N GLU A 28 5.718 -8.264 -3.520 1.00 0.00 N ATOM 410 CA GLU A 28 5.629 -7.165 -4.497 1.00 0.00 C ATOM 411 C GLU A 28 4.311 -7.217 -5.296 1.00 0.00 C ATOM 412 O GLU A 28 3.491 -6.299 -5.219 1.00 0.00 O ATOM 413 CB GLU A 28 6.846 -7.194 -5.461 1.00 0.00 C ATOM 414 CG GLU A 28 6.836 -6.072 -6.526 1.00 0.00 C ATOM 415 CD GLU A 28 8.060 -6.071 -7.453 1.00 0.00 C ATOM 416 OE1 GLU A 28 9.185 -5.897 -6.953 1.00 0.00 O ATOM 417 OE2 GLU A 28 7.902 -6.223 -8.687 1.00 0.00 O ATOM 0 H GLU A 28 6.488 -8.908 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 28 5.641 -6.229 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.762 -7.116 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.873 -8.159 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.936 -6.170 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.776 -5.108 -6.021 1.00 0.00 H new ATOM 424 N ASP A 29 4.115 -8.312 -6.045 1.00 0.00 N ATOM 425 CA ASP A 29 2.918 -8.499 -6.888 1.00 0.00 C ATOM 426 C ASP A 29 1.654 -8.723 -6.013 1.00 0.00 C ATOM 427 O ASP A 29 0.529 -8.428 -6.439 1.00 0.00 O ATOM 428 CB ASP A 29 3.160 -9.648 -7.894 1.00 0.00 C ATOM 429 CG ASP A 29 1.933 -9.968 -8.766 1.00 0.00 C ATOM 430 OD1 ASP A 29 1.519 -9.113 -9.570 1.00 0.00 O ATOM 431 OD2 ASP A 29 1.336 -11.052 -8.601 1.00 0.00 O ATOM 0 H ASP A 29 4.774 -9.089 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 29 2.735 -7.592 -7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.997 -9.384 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.451 -10.545 -7.347 1.00 0.00 H new ATOM 436 N HIS A 30 1.873 -9.220 -4.775 1.00 0.00 N ATOM 437 CA HIS A 30 0.824 -9.314 -3.738 1.00 0.00 C ATOM 438 C HIS A 30 0.361 -7.899 -3.305 1.00 0.00 C ATOM 439 O HIS A 30 -0.807 -7.703 -2.970 1.00 0.00 O ATOM 440 CB HIS A 30 1.339 -10.127 -2.516 1.00 0.00 C ATOM 441 CG HIS A 30 0.422 -10.098 -1.310 1.00 0.00 C ATOM 442 ND1 HIS A 30 0.827 -9.653 -0.075 1.00 0.00 N ATOM 443 CD2 HIS A 30 -0.885 -10.427 -1.173 1.00 0.00 C ATOM 444 CE1 HIS A 30 -0.184 -9.708 0.761 1.00 0.00 C ATOM 445 NE2 HIS A 30 -1.240 -10.172 0.121 1.00 0.00 N ATOM 0 H HIS A 30 2.782 -9.567 -4.468 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.034 -9.838 -4.158 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.485 -11.163 -2.821 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.315 -9.740 -2.224 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.529 -10.819 -1.946 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.156 -9.421 1.802 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.166 -10.316 0.524 1.00 0.00 H new ATOM 454 N LEU A 31 1.291 -6.932 -3.311 1.00 0.00 N ATOM 455 CA LEU A 31 0.995 -5.529 -2.968 1.00 0.00 C ATOM 456 C LEU A 31 0.109 -4.892 -4.060 1.00 0.00 C ATOM 457 O LEU A 31 -0.788 -4.112 -3.736 1.00 0.00 O ATOM 458 CB LEU A 31 2.330 -4.756 -2.714 1.00 0.00 C ATOM 459 CG LEU A 31 2.230 -3.282 -2.166 1.00 0.00 C ATOM 460 CD1 LEU A 31 3.478 -2.904 -1.328 1.00 0.00 C ATOM 461 CD2 LEU A 31 2.042 -2.258 -3.311 1.00 0.00 C ATOM 0 H LEU A 31 2.268 -7.098 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 31 0.422 -5.476 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.925 -5.336 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.885 -4.728 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 31 1.351 -3.247 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.377 -1.881 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.566 -3.583 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.370 -2.982 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.977 -1.253 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.891 -2.314 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.125 -2.485 -3.855 1.00 0.00 H new ATOM 473 N LEU A 32 0.349 -5.251 -5.349 1.00 0.00 N ATOM 474 CA LEU A 32 -0.554 -4.839 -6.461 1.00 0.00 C ATOM 475 C LEU A 32 -1.974 -5.434 -6.278 1.00 0.00 C ATOM 476 O LEU A 32 -2.966 -4.794 -6.646 1.00 0.00 O ATOM 477 CB LEU A 32 -0.002 -5.227 -7.876 1.00 0.00 C ATOM 478 CG LEU A 32 1.229 -4.420 -8.437 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.094 -2.906 -8.176 1.00 0.00 C ATOM 480 CD2 LEU A 32 2.567 -4.965 -7.921 1.00 0.00 C ATOM 0 H LEU A 32 1.146 -5.816 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.604 -3.751 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.274 -6.281 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.819 -5.130 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 32 1.225 -4.563 -9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.964 -2.388 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.192 -2.532 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.030 -2.726 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.384 -4.375 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.590 -4.902 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.678 -6.005 -8.227 1.00 0.00 H new ATOM 492 N THR A 33 -2.046 -6.672 -5.728 1.00 0.00 N ATOM 493 CA THR A 33 -3.326 -7.353 -5.410 1.00 0.00 C ATOM 494 C THR A 33 -4.110 -6.564 -4.338 1.00 0.00 C ATOM 495 O THR A 33 -5.327 -6.381 -4.435 1.00 0.00 O ATOM 496 CB THR A 33 -3.075 -8.816 -4.897 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.150 -9.487 -5.766 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.376 -9.638 -4.810 1.00 0.00 C ATOM 0 H THR A 33 -1.221 -7.224 -5.493 1.00 0.00 H new ATOM 0 HA THR A 33 -3.912 -7.396 -6.328 1.00 0.00 H new ATOM 0 HB THR A 33 -2.662 -8.737 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.997 -10.398 -5.439 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.149 -10.642 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.067 -9.153 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.833 -9.701 -5.797 1.00 0.00 H new ATOM 506 N VAL A 34 -3.372 -6.092 -3.337 1.00 0.00 N ATOM 507 CA VAL A 34 -3.909 -5.283 -2.235 1.00 0.00 C ATOM 508 C VAL A 34 -4.461 -3.942 -2.742 1.00 0.00 C ATOM 509 O VAL A 34 -5.545 -3.519 -2.331 1.00 0.00 O ATOM 510 CB VAL A 34 -2.787 -5.066 -1.155 1.00 0.00 C ATOM 511 CG1 VAL A 34 -3.145 -3.968 -0.119 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.467 -6.418 -0.469 1.00 0.00 C ATOM 0 H VAL A 34 -2.369 -6.261 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.743 -5.816 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.896 -4.700 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.331 -3.866 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.297 -3.019 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.059 -4.247 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.689 -6.271 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.366 -6.804 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.120 -7.132 -1.216 1.00 0.00 H new ATOM 522 N LEU A 35 -3.712 -3.301 -3.653 1.00 0.00 N ATOM 523 CA LEU A 35 -4.099 -2.014 -4.246 1.00 0.00 C ATOM 524 C LEU A 35 -5.369 -2.145 -5.090 1.00 0.00 C ATOM 525 O LEU A 35 -6.210 -1.258 -5.059 1.00 0.00 O ATOM 526 CB LEU A 35 -2.949 -1.448 -5.102 1.00 0.00 C ATOM 527 CG LEU A 35 -1.670 -1.032 -4.318 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.553 -0.613 -5.282 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.970 0.086 -3.282 1.00 0.00 C ATOM 0 H LEU A 35 -2.822 -3.661 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.308 -1.323 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.671 -2.195 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.319 -0.579 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.326 -1.903 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.331 -0.326 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.307 -1.448 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.888 0.233 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.053 0.349 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.358 0.965 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.710 -0.271 -2.566 1.00 0.00 H new ATOM 541 N SER A 36 -5.490 -3.260 -5.841 1.00 0.00 N ATOM 542 CA SER A 36 -6.645 -3.510 -6.719 1.00 0.00 C ATOM 543 C SER A 36 -7.934 -3.747 -5.910 1.00 0.00 C ATOM 544 O SER A 36 -9.033 -3.405 -6.366 1.00 0.00 O ATOM 545 CB SER A 36 -6.340 -4.688 -7.674 1.00 0.00 C ATOM 546 OG SER A 36 -5.990 -5.863 -6.978 1.00 0.00 O ATOM 0 H SER A 36 -4.794 -4.005 -5.854 1.00 0.00 H new ATOM 0 HA SER A 36 -6.818 -2.619 -7.322 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.213 -4.883 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.527 -4.409 -8.344 1.00 0.00 H new ATOM 0 HG SER A 36 -5.904 -5.664 -6.022 1.00 0.00 H new ATOM 552 N VAL A 37 -7.784 -4.333 -4.708 1.00 0.00 N ATOM 553 CA VAL A 37 -8.901 -4.516 -3.761 1.00 0.00 C ATOM 554 C VAL A 37 -9.257 -3.164 -3.086 1.00 0.00 C ATOM 555 O VAL A 37 -10.438 -2.837 -2.927 1.00 0.00 O ATOM 556 CB VAL A 37 -8.565 -5.617 -2.678 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.711 -5.781 -1.639 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.247 -6.973 -3.361 1.00 0.00 C ATOM 0 H VAL A 37 -6.892 -4.691 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.768 -4.865 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.682 -5.281 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.438 -6.548 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.873 -4.835 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.627 -6.076 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.018 -7.719 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.110 -7.300 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.389 -6.855 -4.023 1.00 0.00 H new ATOM 568 N ALA A 38 -8.219 -2.373 -2.744 1.00 0.00 N ATOM 569 CA ALA A 38 -8.369 -1.088 -2.017 1.00 0.00 C ATOM 570 C ALA A 38 -8.941 0.031 -2.918 1.00 0.00 C ATOM 571 O ALA A 38 -9.626 0.933 -2.433 1.00 0.00 O ATOM 572 CB ALA A 38 -7.013 -0.662 -1.418 1.00 0.00 C ATOM 0 H ALA A 38 -7.250 -2.605 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.087 -1.246 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.131 0.282 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.664 -1.428 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.284 -0.538 -2.219 1.00 0.00 H new ATOM 578 N SER A 39 -8.653 -0.040 -4.230 1.00 0.00 N ATOM 579 CA SER A 39 -9.106 0.964 -5.212 1.00 0.00 C ATOM 580 C SER A 39 -10.419 0.508 -5.868 1.00 0.00 C ATOM 581 O SER A 39 -11.422 1.237 -5.858 1.00 0.00 O ATOM 582 CB SER A 39 -8.016 1.201 -6.284 1.00 0.00 C ATOM 583 OG SER A 39 -7.731 0.016 -7.016 1.00 0.00 O ATOM 0 H SER A 39 -8.101 -0.793 -4.640 1.00 0.00 H new ATOM 0 HA SER A 39 -9.286 1.905 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.344 1.982 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.106 1.560 -5.804 1.00 0.00 H new ATOM 0 HG SER A 39 -7.180 -0.582 -6.469 1.00 0.00 H new ATOM 589 N GLY A 40 -10.404 -0.717 -6.423 1.00 0.00 N ATOM 590 CA GLY A 40 -11.557 -1.286 -7.129 1.00 0.00 C ATOM 591 C GLY A 40 -11.251 -1.637 -8.582 1.00 0.00 C ATOM 592 O GLY A 40 -12.041 -2.336 -9.219 1.00 0.00 O ATOM 0 H GLY A 40 -9.593 -1.335 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.890 -2.183 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.382 -0.575 -7.099 1.00 0.00 H new ATOM 596 N VAL A 41 -10.128 -1.119 -9.120 1.00 0.00 N ATOM 597 CA VAL A 41 -9.681 -1.405 -10.498 1.00 0.00 C ATOM 598 C VAL A 41 -8.707 -2.609 -10.514 1.00 0.00 C ATOM 599 O VAL A 41 -7.976 -2.796 -9.547 1.00 0.00 O ATOM 600 CB VAL A 41 -8.995 -0.146 -11.159 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.998 1.016 -11.337 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.749 0.317 -10.368 1.00 0.00 C ATOM 0 H VAL A 41 -9.506 -0.491 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.566 -1.654 -11.084 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.657 -0.454 -12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.492 1.866 -11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.818 0.694 -11.978 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.392 1.309 -10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.309 1.185 -10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.041 0.583 -9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.018 -0.491 -10.335 1.00 0.00 H new ATOM 612 N PRO A 42 -8.726 -3.467 -11.594 1.00 0.00 N ATOM 613 CA PRO A 42 -7.768 -4.599 -11.774 1.00 0.00 C ATOM 614 C PRO A 42 -6.273 -4.224 -11.636 1.00 0.00 C ATOM 615 O PRO A 42 -5.879 -3.061 -11.823 1.00 0.00 O ATOM 616 CB PRO A 42 -8.071 -5.096 -13.211 1.00 0.00 C ATOM 617 CG PRO A 42 -9.518 -4.767 -13.406 1.00 0.00 C ATOM 618 CD PRO A 42 -9.735 -3.452 -12.688 1.00 0.00 C ATOM 0 HA PRO A 42 -7.910 -5.342 -10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.444 -4.594 -13.948 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.887 -6.166 -13.311 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.761 -4.681 -14.465 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.157 -5.549 -12.995 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.587 -2.604 -13.356 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.749 -3.375 -12.295 1.00 0.00 H new ATOM 626 N LYS A 43 -5.456 -5.254 -11.338 1.00 0.00 N ATOM 627 CA LYS A 43 -3.991 -5.141 -11.180 1.00 0.00 C ATOM 628 C LYS A 43 -3.301 -4.708 -12.489 1.00 0.00 C ATOM 629 O LYS A 43 -2.187 -4.193 -12.457 1.00 0.00 O ATOM 630 CB LYS A 43 -3.399 -6.501 -10.727 1.00 0.00 C ATOM 631 CG LYS A 43 -3.952 -7.045 -9.388 1.00 0.00 C ATOM 632 CD LYS A 43 -3.388 -8.441 -9.028 1.00 0.00 C ATOM 633 CE LYS A 43 -1.856 -8.462 -8.955 1.00 0.00 C ATOM 634 NZ LYS A 43 -1.346 -9.779 -8.535 1.00 0.00 N ATOM 0 H LYS A 43 -5.801 -6.204 -11.198 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.807 -4.376 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.587 -7.239 -11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.317 -6.398 -10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.711 -6.344 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.039 -7.101 -9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.797 -8.757 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.722 -9.165 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.442 -8.206 -9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.515 -7.700 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.433 -9.962 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.219 -9.789 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.026 -10.517 -8.807 1.00 0.00 H new ATOM 648 N GLU A 44 -3.964 -4.950 -13.631 1.00 0.00 N ATOM 649 CA GLU A 44 -3.436 -4.571 -14.959 1.00 0.00 C ATOM 650 C GLU A 44 -3.386 -3.039 -15.121 1.00 0.00 C ATOM 651 O GLU A 44 -2.538 -2.508 -15.847 1.00 0.00 O ATOM 652 CB GLU A 44 -4.305 -5.203 -16.069 1.00 0.00 C ATOM 653 CG GLU A 44 -4.406 -6.742 -15.989 1.00 0.00 C ATOM 654 CD GLU A 44 -5.323 -7.345 -17.063 1.00 0.00 C ATOM 655 OE1 GLU A 44 -6.562 -7.258 -16.915 1.00 0.00 O ATOM 656 OE2 GLU A 44 -4.815 -7.915 -18.052 1.00 0.00 O ATOM 0 H GLU A 44 -4.874 -5.410 -13.665 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.417 -4.948 -15.045 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.308 -4.780 -16.016 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.894 -4.926 -17.040 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.409 -7.171 -16.089 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.777 -7.025 -15.004 1.00 0.00 H new ATOM 663 N GLU A 45 -4.310 -2.345 -14.425 1.00 0.00 N ATOM 664 CA GLU A 45 -4.388 -0.871 -14.415 1.00 0.00 C ATOM 665 C GLU A 45 -3.502 -0.276 -13.293 1.00 0.00 C ATOM 666 O GLU A 45 -3.457 0.948 -13.130 1.00 0.00 O ATOM 667 CB GLU A 45 -5.869 -0.410 -14.256 1.00 0.00 C ATOM 668 CG GLU A 45 -6.819 -0.963 -15.347 1.00 0.00 C ATOM 669 CD GLU A 45 -8.214 -0.315 -15.340 1.00 0.00 C ATOM 670 OE1 GLU A 45 -9.106 -0.794 -14.619 1.00 0.00 O ATOM 671 OE2 GLU A 45 -8.424 0.691 -16.060 1.00 0.00 O ATOM 0 H GLU A 45 -5.025 -2.794 -13.852 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.010 -0.501 -15.368 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.234 -0.723 -13.278 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.904 0.679 -14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.362 -0.810 -16.325 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.927 -2.039 -15.210 1.00 0.00 H new ATOM 678 N ILE A 46 -2.802 -1.149 -12.521 1.00 0.00 N ATOM 679 CA ILE A 46 -1.943 -0.736 -11.385 1.00 0.00 C ATOM 680 C ILE A 46 -0.541 -1.383 -11.494 1.00 0.00 C ATOM 681 O ILE A 46 -0.380 -2.587 -11.258 1.00 0.00 O ATOM 682 CB ILE A 46 -2.572 -1.144 -9.994 1.00 0.00 C ATOM 683 CG1 ILE A 46 -4.067 -0.701 -9.890 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.741 -0.551 -8.821 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.757 -1.109 -8.607 1.00 0.00 C ATOM 0 H ILE A 46 -2.819 -2.158 -12.671 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.862 0.350 -11.435 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.543 -2.231 -9.924 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.118 0.384 -9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.616 -1.122 -10.732 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.191 -0.844 -7.872 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.720 -0.929 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.729 0.536 -8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.789 -0.760 -8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.743 -2.195 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.237 -0.666 -7.757 1.00 0.00 H new ATOM 697 N SER A 47 0.456 -0.583 -11.864 1.00 0.00 N ATOM 698 CA SER A 47 1.878 -0.971 -11.817 1.00 0.00 C ATOM 699 C SER A 47 2.587 -0.163 -10.712 1.00 0.00 C ATOM 700 O SER A 47 1.942 0.616 -9.998 1.00 0.00 O ATOM 701 CB SER A 47 2.532 -0.733 -13.203 1.00 0.00 C ATOM 702 OG SER A 47 3.883 -1.179 -13.228 1.00 0.00 O ATOM 0 H SER A 47 0.306 0.365 -12.210 1.00 0.00 H new ATOM 0 HA SER A 47 1.971 -2.031 -11.582 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.961 -1.256 -13.970 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.494 0.329 -13.446 1.00 0.00 H new ATOM 0 HG SER A 47 4.265 -1.016 -14.116 1.00 0.00 H new ATOM 708 N ARG A 48 3.913 -0.364 -10.565 1.00 0.00 N ATOM 709 CA ARG A 48 4.750 0.444 -9.655 1.00 0.00 C ATOM 710 C ARG A 48 4.826 1.896 -10.183 1.00 0.00 C ATOM 711 O ARG A 48 4.852 2.853 -9.409 1.00 0.00 O ATOM 712 CB ARG A 48 6.176 -0.176 -9.514 1.00 0.00 C ATOM 713 CG ARG A 48 7.116 0.049 -10.728 1.00 0.00 C ATOM 714 CD ARG A 48 8.223 -1.012 -10.868 1.00 0.00 C ATOM 715 NE ARG A 48 7.657 -2.346 -11.145 1.00 0.00 N ATOM 716 CZ ARG A 48 7.147 -2.754 -12.323 1.00 0.00 C ATOM 717 NH1 ARG A 48 7.111 -1.951 -13.382 1.00 0.00 N ATOM 718 NH2 ARG A 48 6.649 -3.975 -12.420 1.00 0.00 N ATOM 0 H ARG A 48 4.430 -1.085 -11.069 1.00 0.00 H new ATOM 0 HA ARG A 48 4.297 0.450 -8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.650 0.241 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.074 -1.248 -9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.519 0.059 -11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.578 1.032 -10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.901 -0.728 -11.673 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.813 -1.048 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 48 7.651 -3.018 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.475 -1.001 -13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.719 -2.285 -14.262 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.654 -4.594 -11.609 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.259 -4.298 -13.306 1.00 0.00 H new ATOM 732 N ASP A 49 4.804 2.024 -11.524 1.00 0.00 N ATOM 733 CA ASP A 49 4.898 3.308 -12.234 1.00 0.00 C ATOM 734 C ASP A 49 3.616 4.145 -12.050 1.00 0.00 C ATOM 735 O ASP A 49 3.636 5.359 -12.257 1.00 0.00 O ATOM 736 CB ASP A 49 5.161 3.052 -13.744 1.00 0.00 C ATOM 737 CG ASP A 49 6.446 2.242 -14.006 1.00 0.00 C ATOM 738 OD1 ASP A 49 6.402 0.986 -13.962 1.00 0.00 O ATOM 739 OD2 ASP A 49 7.506 2.853 -14.251 1.00 0.00 O ATOM 0 H ASP A 49 4.719 1.224 -12.151 1.00 0.00 H new ATOM 0 HA ASP A 49 5.728 3.874 -11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.310 2.520 -14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.230 4.009 -14.262 1.00 0.00 H new ATOM 744 N SER A 50 2.509 3.477 -11.664 1.00 0.00 N ATOM 745 CA SER A 50 1.220 4.135 -11.419 1.00 0.00 C ATOM 746 C SER A 50 1.288 5.073 -10.200 1.00 0.00 C ATOM 747 O SER A 50 2.050 4.851 -9.242 1.00 0.00 O ATOM 748 CB SER A 50 0.108 3.081 -11.230 1.00 0.00 C ATOM 749 OG SER A 50 -0.036 2.271 -12.385 1.00 0.00 O ATOM 0 H SER A 50 2.489 2.468 -11.515 1.00 0.00 H new ATOM 0 HA SER A 50 0.984 4.744 -12.292 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.341 2.453 -10.370 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.836 3.580 -11.013 1.00 0.00 H new ATOM 0 HG SER A 50 -0.987 2.104 -12.551 1.00 0.00 H new ATOM 755 N ARG A 51 0.479 6.130 -10.272 1.00 0.00 N ATOM 756 CA ARG A 51 0.357 7.145 -9.219 1.00 0.00 C ATOM 757 C ARG A 51 -0.622 6.662 -8.123 1.00 0.00 C ATOM 758 O ARG A 51 -0.873 5.457 -8.005 1.00 0.00 O ATOM 759 CB ARG A 51 -0.117 8.463 -9.873 1.00 0.00 C ATOM 760 CG ARG A 51 0.822 9.023 -10.970 1.00 0.00 C ATOM 761 CD ARG A 51 2.211 9.388 -10.430 1.00 0.00 C ATOM 762 NE ARG A 51 3.101 9.901 -11.491 1.00 0.00 N ATOM 763 CZ ARG A 51 3.977 10.911 -11.354 1.00 0.00 C ATOM 764 NH1 ARG A 51 4.036 11.611 -10.234 1.00 0.00 N ATOM 765 NH2 ARG A 51 4.787 11.213 -12.357 1.00 0.00 N ATOM 0 H ARG A 51 -0.121 6.310 -11.077 1.00 0.00 H new ATOM 0 HA ARG A 51 1.318 7.315 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.103 8.301 -10.308 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.232 9.217 -9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.928 8.284 -11.764 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.366 9.907 -11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.109 10.140 -9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.664 8.509 -9.971 1.00 0.00 H new ATOM 0 HE ARG A 51 3.046 9.451 -12.405 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.411 11.387 -9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.706 12.375 -10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.743 10.680 -13.226 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.455 11.978 -12.261 1.00 0.00 H new ATOM 779 N MET A 52 -1.148 7.585 -7.293 1.00 0.00 N ATOM 780 CA MET A 52 -2.085 7.221 -6.201 1.00 0.00 C ATOM 781 C MET A 52 -3.346 8.089 -6.175 1.00 0.00 C ATOM 782 O MET A 52 -4.242 7.810 -5.384 1.00 0.00 O ATOM 783 CB MET A 52 -1.378 7.274 -4.813 1.00 0.00 C ATOM 784 CG MET A 52 -0.377 6.140 -4.575 1.00 0.00 C ATOM 785 SD MET A 52 0.254 6.129 -2.889 1.00 0.00 S ATOM 786 CE MET A 52 1.117 4.565 -2.878 1.00 0.00 C ATOM 0 H MET A 52 -0.944 8.583 -7.354 1.00 0.00 H new ATOM 0 HA MET A 52 -2.401 6.199 -6.409 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.859 8.228 -4.718 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.136 7.245 -4.030 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.856 5.184 -4.787 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.455 6.241 -5.272 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.967 4.074 -1.917 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.729 3.930 -3.674 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.182 4.736 -3.036 1.00 0.00 H new ATOM 796 N GLU A 53 -3.462 9.089 -7.063 1.00 0.00 N ATOM 797 CA GLU A 53 -4.583 10.079 -7.023 1.00 0.00 C ATOM 798 C GLU A 53 -5.966 9.426 -7.267 1.00 0.00 C ATOM 799 O GLU A 53 -7.000 10.074 -7.067 1.00 0.00 O ATOM 800 CB GLU A 53 -4.359 11.252 -8.023 1.00 0.00 C ATOM 801 CG GLU A 53 -3.075 12.090 -7.794 1.00 0.00 C ATOM 802 CD GLU A 53 -1.798 11.414 -8.322 1.00 0.00 C ATOM 803 OE1 GLU A 53 -1.579 11.449 -9.550 1.00 0.00 O ATOM 804 OE2 GLU A 53 -1.032 10.819 -7.528 1.00 0.00 O ATOM 0 H GLU A 53 -2.800 9.245 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.583 10.484 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.330 10.844 -9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.220 11.918 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.191 13.059 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.961 12.281 -6.727 1.00 0.00 H new ATOM 811 N ASP A 54 -5.972 8.152 -7.698 1.00 0.00 N ATOM 812 CA ASP A 54 -7.200 7.355 -7.883 1.00 0.00 C ATOM 813 C ASP A 54 -6.942 5.884 -7.441 1.00 0.00 C ATOM 814 O ASP A 54 -7.608 4.956 -7.893 1.00 0.00 O ATOM 815 CB ASP A 54 -7.637 7.459 -9.378 1.00 0.00 C ATOM 816 CG ASP A 54 -9.041 6.910 -9.672 1.00 0.00 C ATOM 817 OD1 ASP A 54 -10.030 7.499 -9.193 1.00 0.00 O ATOM 818 OD2 ASP A 54 -9.162 5.897 -10.394 1.00 0.00 O ATOM 0 H ASP A 54 -5.119 7.642 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.011 7.737 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.599 8.505 -9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.915 6.922 -9.993 1.00 0.00 H new ATOM 823 N LEU A 55 -5.975 5.684 -6.509 1.00 0.00 N ATOM 824 CA LEU A 55 -5.538 4.332 -6.044 1.00 0.00 C ATOM 825 C LEU A 55 -5.362 4.259 -4.508 1.00 0.00 C ATOM 826 O LEU A 55 -5.586 3.196 -3.920 1.00 0.00 O ATOM 827 CB LEU A 55 -4.213 3.891 -6.744 1.00 0.00 C ATOM 828 CG LEU A 55 -4.293 3.627 -8.288 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.934 3.159 -8.854 1.00 0.00 C ATOM 830 CD2 LEU A 55 -5.411 2.611 -8.628 1.00 0.00 C ATOM 0 H LEU A 55 -5.475 6.449 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.338 3.646 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.461 4.660 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.858 2.981 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.543 4.574 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.027 2.986 -9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.181 3.927 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.634 2.234 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.441 2.450 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.209 1.665 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.372 3.002 -8.293 1.00 0.00 H new ATOM 842 N ALA A 56 -4.949 5.377 -3.867 1.00 0.00 N ATOM 843 CA ALA A 56 -4.605 5.396 -2.413 1.00 0.00 C ATOM 844 C ALA A 56 -4.779 6.800 -1.796 1.00 0.00 C ATOM 845 O ALA A 56 -5.261 6.927 -0.665 1.00 0.00 O ATOM 846 CB ALA A 56 -3.172 4.871 -2.192 1.00 0.00 C ATOM 0 H ALA A 56 -4.844 6.281 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.303 4.734 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.937 4.891 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.099 3.848 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.466 5.502 -2.732 1.00 0.00 H new ATOM 852 N PHE A 57 -4.351 7.831 -2.556 1.00 0.00 N ATOM 853 CA PHE A 57 -4.449 9.261 -2.179 1.00 0.00 C ATOM 854 C PHE A 57 -5.925 9.691 -1.987 1.00 0.00 C ATOM 855 O PHE A 57 -6.601 10.110 -2.938 1.00 0.00 O ATOM 856 CB PHE A 57 -3.725 10.128 -3.261 1.00 0.00 C ATOM 857 CG PHE A 57 -3.794 11.649 -3.081 1.00 0.00 C ATOM 858 CD1 PHE A 57 -3.080 12.280 -2.067 1.00 0.00 C ATOM 859 CD2 PHE A 57 -4.573 12.442 -3.931 1.00 0.00 C ATOM 860 CE1 PHE A 57 -3.140 13.651 -1.908 1.00 0.00 C ATOM 861 CE2 PHE A 57 -4.632 13.809 -3.770 1.00 0.00 C ATOM 862 CZ PHE A 57 -3.916 14.415 -2.757 1.00 0.00 C ATOM 0 H PHE A 57 -3.918 7.691 -3.469 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.955 9.416 -1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.675 9.835 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.148 9.881 -4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.472 11.691 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.137 11.975 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.578 14.127 -1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.238 14.406 -4.436 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.963 15.486 -2.629 1.00 0.00 H new ATOM 872 N ASP A 58 -6.398 9.493 -0.750 1.00 0.00 N ATOM 873 CA ASP A 58 -7.766 9.803 -0.276 1.00 0.00 C ATOM 874 C ASP A 58 -7.848 9.292 1.162 1.00 0.00 C ATOM 875 O ASP A 58 -7.463 8.160 1.381 1.00 0.00 O ATOM 876 CB ASP A 58 -8.858 9.103 -1.141 1.00 0.00 C ATOM 877 CG ASP A 58 -10.288 9.331 -0.622 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.905 10.364 -0.974 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.799 8.499 0.163 1.00 0.00 O ATOM 0 H ASP A 58 -5.816 9.094 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.949 10.875 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.789 9.468 -2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.657 8.032 -1.170 1.00 0.00 H new ATOM 884 N SER A 59 -8.375 10.094 2.114 1.00 0.00 N ATOM 885 CA SER A 59 -8.358 9.756 3.570 1.00 0.00 C ATOM 886 C SER A 59 -8.933 8.345 3.877 1.00 0.00 C ATOM 887 O SER A 59 -8.405 7.623 4.739 1.00 0.00 O ATOM 888 CB SER A 59 -9.143 10.823 4.365 1.00 0.00 C ATOM 889 OG SER A 59 -8.649 12.130 4.121 1.00 0.00 O ATOM 0 H SER A 59 -8.822 10.987 1.906 1.00 0.00 H new ATOM 0 HA SER A 59 -7.312 9.745 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.198 10.776 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.079 10.603 5.431 1.00 0.00 H new ATOM 0 HG SER A 59 -9.170 12.779 4.639 1.00 0.00 H new ATOM 895 N LEU A 60 -9.998 7.963 3.146 1.00 0.00 N ATOM 896 CA LEU A 60 -10.676 6.659 3.312 1.00 0.00 C ATOM 897 C LEU A 60 -9.830 5.513 2.721 1.00 0.00 C ATOM 898 O LEU A 60 -9.735 4.431 3.320 1.00 0.00 O ATOM 899 CB LEU A 60 -12.083 6.705 2.646 1.00 0.00 C ATOM 900 CG LEU A 60 -12.926 5.388 2.685 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.167 4.898 4.137 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.260 5.576 1.928 1.00 0.00 C ATOM 0 H LEU A 60 -10.414 8.549 2.423 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.796 6.465 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.661 7.493 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.956 6.996 1.603 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.351 4.612 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.756 3.981 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.209 4.704 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.705 5.664 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.833 4.650 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.833 6.377 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.055 5.834 0.889 1.00 0.00 H new ATOM 914 N VAL A 61 -9.217 5.749 1.546 1.00 0.00 N ATOM 915 CA VAL A 61 -8.399 4.721 0.858 1.00 0.00 C ATOM 916 C VAL A 61 -7.010 4.583 1.537 1.00 0.00 C ATOM 917 O VAL A 61 -6.395 3.518 1.480 1.00 0.00 O ATOM 918 CB VAL A 61 -8.250 5.000 -0.687 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.647 3.767 -1.415 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.607 5.390 -1.326 1.00 0.00 C ATOM 0 H VAL A 61 -9.270 6.639 1.051 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.930 3.774 0.953 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.568 5.842 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.554 3.983 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.663 3.546 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.301 2.906 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.468 5.575 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.320 4.577 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.989 6.292 -0.848 1.00 0.00 H new ATOM 930 N VAL A 62 -6.557 5.661 2.217 1.00 0.00 N ATOM 931 CA VAL A 62 -5.345 5.645 3.067 1.00 0.00 C ATOM 932 C VAL A 62 -5.625 4.781 4.300 1.00 0.00 C ATOM 933 O VAL A 62 -4.771 4.026 4.725 1.00 0.00 O ATOM 934 CB VAL A 62 -4.890 7.101 3.522 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.763 7.060 4.600 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.431 7.949 2.305 1.00 0.00 C ATOM 0 H VAL A 62 -7.023 6.568 2.191 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.527 5.232 2.476 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.763 7.572 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.488 8.078 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.122 6.528 5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.891 6.546 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.126 8.939 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.590 7.458 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.255 8.047 1.598 1.00 0.00 H new ATOM 946 N SER A 63 -6.852 4.910 4.845 1.00 0.00 N ATOM 947 CA SER A 63 -7.325 4.111 5.993 1.00 0.00 C ATOM 948 C SER A 63 -7.377 2.608 5.638 1.00 0.00 C ATOM 949 O SER A 63 -6.944 1.763 6.426 1.00 0.00 O ATOM 950 CB SER A 63 -8.725 4.608 6.437 1.00 0.00 C ATOM 951 OG SER A 63 -9.243 3.854 7.521 1.00 0.00 O ATOM 0 H SER A 63 -7.545 5.574 4.499 1.00 0.00 H new ATOM 0 HA SER A 63 -6.622 4.238 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.662 5.658 6.724 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.414 4.549 5.594 1.00 0.00 H new ATOM 0 HG SER A 63 -10.125 4.202 7.769 1.00 0.00 H new ATOM 957 N GLU A 64 -7.896 2.302 4.430 1.00 0.00 N ATOM 958 CA GLU A 64 -8.072 0.915 3.942 1.00 0.00 C ATOM 959 C GLU A 64 -6.716 0.270 3.577 1.00 0.00 C ATOM 960 O GLU A 64 -6.488 -0.923 3.837 1.00 0.00 O ATOM 961 CB GLU A 64 -9.032 0.903 2.715 1.00 0.00 C ATOM 962 CG GLU A 64 -9.531 -0.504 2.297 1.00 0.00 C ATOM 963 CD GLU A 64 -10.330 -1.222 3.408 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.432 -0.745 3.754 1.00 0.00 O ATOM 965 OE2 GLU A 64 -9.857 -2.248 3.944 1.00 0.00 O ATOM 0 H GLU A 64 -8.206 3.010 3.764 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.512 0.323 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.896 1.528 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.522 1.359 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.158 -0.411 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.675 -1.118 2.020 1.00 0.00 H new ATOM 972 N LEU A 65 -5.818 1.081 2.982 1.00 0.00 N ATOM 973 CA LEU A 65 -4.445 0.656 2.636 1.00 0.00 C ATOM 974 C LEU A 65 -3.640 0.401 3.920 1.00 0.00 C ATOM 975 O LEU A 65 -2.979 -0.622 4.050 1.00 0.00 O ATOM 976 CB LEU A 65 -3.729 1.730 1.764 1.00 0.00 C ATOM 977 CG LEU A 65 -2.254 1.402 1.338 1.00 0.00 C ATOM 978 CD1 LEU A 65 -2.174 0.115 0.470 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.592 2.613 0.620 1.00 0.00 C ATOM 0 H LEU A 65 -6.023 2.047 2.728 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.507 -0.265 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.320 1.889 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.726 2.672 2.313 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.690 1.208 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.136 -0.076 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.561 -0.731 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.768 0.248 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.571 2.355 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.164 2.863 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.576 3.471 1.293 1.00 0.00 H new ATOM 991 N SER A 66 -3.754 1.351 4.866 1.00 0.00 N ATOM 992 CA SER A 66 -3.094 1.291 6.180 1.00 0.00 C ATOM 993 C SER A 66 -3.602 0.100 7.004 1.00 0.00 C ATOM 994 O SER A 66 -2.854 -0.450 7.794 1.00 0.00 O ATOM 995 CB SER A 66 -3.322 2.600 6.969 1.00 0.00 C ATOM 996 OG SER A 66 -2.689 2.576 8.236 1.00 0.00 O ATOM 0 H SER A 66 -4.315 2.193 4.736 1.00 0.00 H new ATOM 0 HA SER A 66 -2.026 1.162 6.002 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.942 3.442 6.391 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.392 2.761 7.102 1.00 0.00 H new ATOM 0 HG SER A 66 -1.723 2.696 8.121 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.886 -0.266 6.805 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.513 -1.439 7.445 1.00 0.00 C ATOM 1004 C LEU A 67 -4.780 -2.709 6.973 1.00 0.00 C ATOM 1005 O LEU A 67 -4.419 -3.565 7.785 1.00 0.00 O ATOM 1006 CB LEU A 67 -7.038 -1.468 7.082 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.990 -2.404 7.920 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -9.471 -2.014 7.694 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -7.788 -3.910 7.608 1.00 0.00 C ATOM 0 H LEU A 67 -5.519 0.248 6.192 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.433 -1.385 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.418 -0.450 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.125 -1.758 6.035 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.725 -2.255 8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.114 -2.671 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.627 -0.981 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.717 -2.115 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.472 -4.502 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.990 -4.093 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.761 -4.194 7.836 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.554 -2.793 5.653 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.919 -3.961 5.015 1.00 0.00 C ATOM 1023 C LYS A 68 -2.415 -4.037 5.347 1.00 0.00 C ATOM 1024 O LYS A 68 -1.864 -5.123 5.504 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.156 -3.928 3.463 1.00 0.00 C ATOM 1026 CG LYS A 68 -4.737 -5.233 2.868 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.125 -5.582 3.444 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.180 -4.476 3.207 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.485 -4.825 3.829 1.00 0.00 N ATOM 0 H LYS A 68 -4.806 -2.054 4.996 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.383 -4.862 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.833 -3.106 3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.209 -3.710 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.812 -5.132 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.049 -6.055 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.475 -6.511 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.032 -5.762 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.820 -3.534 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.315 -4.324 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.065 -3.967 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.982 -5.515 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.322 -5.238 4.770 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.757 -2.876 5.444 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.336 -2.793 5.813 1.00 0.00 C ATOM 1045 C LEU A 69 -0.149 -3.205 7.283 1.00 0.00 C ATOM 1046 O LEU A 69 0.760 -3.960 7.599 1.00 0.00 O ATOM 1047 CB LEU A 69 0.214 -1.364 5.559 1.00 0.00 C ATOM 1048 CG LEU A 69 0.240 -0.903 4.060 1.00 0.00 C ATOM 1049 CD1 LEU A 69 0.698 0.561 3.930 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.115 -1.836 3.188 1.00 0.00 C ATOM 0 H LEU A 69 -2.191 -1.970 5.270 1.00 0.00 H new ATOM 0 HA LEU A 69 0.231 -3.482 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.389 -0.656 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.228 -1.309 5.955 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.782 -0.969 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.705 0.848 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.012 1.207 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.702 0.666 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.107 -1.483 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.138 -1.833 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.717 -2.850 3.227 1.00 0.00 H new ATOM 1062 N ARG A 70 -1.061 -2.724 8.144 1.00 0.00 N ATOM 1063 CA ARG A 70 -1.042 -2.971 9.605 1.00 0.00 C ATOM 1064 C ARG A 70 -1.246 -4.469 9.894 1.00 0.00 C ATOM 1065 O ARG A 70 -0.504 -5.077 10.674 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.147 -2.087 10.289 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.118 -1.971 11.842 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.739 -3.170 12.580 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.620 -3.018 14.039 1.00 0.00 N ATOM 1070 CZ ARG A 70 -3.496 -3.467 14.948 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -4.598 -4.098 14.579 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -3.256 -3.282 16.232 1.00 0.00 N ATOM 0 H ARG A 70 -1.845 -2.144 7.846 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.073 -2.692 10.019 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.076 -1.081 9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.121 -2.483 10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.084 -1.856 12.166 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.647 -1.065 12.137 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.790 -3.264 12.306 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.244 -4.089 12.266 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.797 -2.527 14.389 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.792 -4.249 13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.254 -4.433 15.284 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.407 -2.799 16.528 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.919 -3.621 16.929 1.00 0.00 H new ATOM 1086 N LYS A 71 -2.266 -5.036 9.240 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.697 -6.421 9.449 1.00 0.00 C ATOM 1088 C LYS A 71 -1.831 -7.404 8.642 1.00 0.00 C ATOM 1089 O LYS A 71 -1.048 -8.180 9.205 1.00 0.00 O ATOM 1090 CB LYS A 71 -4.198 -6.536 9.044 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.777 -7.966 9.067 1.00 0.00 C ATOM 1092 CD LYS A 71 -6.288 -8.007 8.733 1.00 0.00 C ATOM 1093 CE LYS A 71 -6.824 -9.440 8.589 1.00 0.00 C ATOM 1094 NZ LYS A 71 -6.555 -10.274 9.786 1.00 0.00 N ATOM 0 H LYS A 71 -2.821 -4.540 8.543 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.577 -6.685 10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.788 -5.912 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.319 -6.128 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.235 -8.584 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.615 -8.403 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.843 -7.493 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.466 -7.462 7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.899 -9.405 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.370 -9.908 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.010 -11.202 9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.529 -10.402 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.938 -9.803 10.631 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.961 -7.319 7.320 1.00 0.00 N ATOM 1109 CA GLU A 72 -1.496 -8.361 6.393 1.00 0.00 C ATOM 1110 C GLU A 72 0.029 -8.303 6.184 1.00 0.00 C ATOM 1111 O GLU A 72 0.712 -9.335 6.266 1.00 0.00 O ATOM 1112 CB GLU A 72 -2.286 -8.218 5.069 1.00 0.00 C ATOM 1113 CG GLU A 72 -2.114 -9.366 4.053 1.00 0.00 C ATOM 1114 CD GLU A 72 -3.187 -9.326 2.950 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -2.995 -8.624 1.944 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -4.247 -9.969 3.121 1.00 0.00 O ATOM 0 H GLU A 72 -2.394 -6.522 6.854 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.688 -9.347 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.345 -8.127 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.987 -7.286 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.125 -9.303 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.165 -10.322 4.574 1.00 0.00 H new ATOM 1123 N PHE A 73 0.560 -7.093 5.923 1.00 0.00 N ATOM 1124 CA PHE A 73 2.018 -6.869 5.747 1.00 0.00 C ATOM 1125 C PHE A 73 2.735 -6.798 7.112 1.00 0.00 C ATOM 1126 O PHE A 73 3.940 -7.062 7.195 1.00 0.00 O ATOM 1127 CB PHE A 73 2.285 -5.574 4.933 1.00 0.00 C ATOM 1128 CG PHE A 73 1.807 -5.657 3.481 1.00 0.00 C ATOM 1129 CD1 PHE A 73 0.469 -5.443 3.156 1.00 0.00 C ATOM 1130 CD2 PHE A 73 2.697 -5.953 2.444 1.00 0.00 C ATOM 1131 CE1 PHE A 73 0.038 -5.522 1.854 1.00 0.00 C ATOM 1132 CE2 PHE A 73 2.260 -6.034 1.136 1.00 0.00 C ATOM 1133 CZ PHE A 73 0.931 -5.813 0.840 1.00 0.00 C ATOM 0 H PHE A 73 0.000 -6.246 5.828 1.00 0.00 H new ATOM 0 HA PHE A 73 2.419 -7.716 5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.788 -4.737 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.354 -5.361 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.239 -5.212 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.740 -6.121 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.004 -5.356 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.958 -6.270 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.589 -5.867 -0.183 1.00 0.00 H new ATOM 1143 N GLY A 74 1.982 -6.435 8.171 1.00 0.00 N ATOM 1144 CA GLY A 74 2.530 -6.305 9.531 1.00 0.00 C ATOM 1145 C GLY A 74 3.166 -4.937 9.802 1.00 0.00 C ATOM 1146 O GLY A 74 3.578 -4.651 10.931 1.00 0.00 O ATOM 0 H GLY A 74 0.986 -6.226 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.733 -6.476 10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.277 -7.083 9.690 1.00 0.00 H new ATOM 1150 N VAL A 75 3.238 -4.095 8.753 1.00 0.00 N ATOM 1151 CA VAL A 75 3.807 -2.740 8.816 1.00 0.00 C ATOM 1152 C VAL A 75 2.733 -1.777 9.376 1.00 0.00 C ATOM 1153 O VAL A 75 1.940 -1.187 8.623 1.00 0.00 O ATOM 1154 CB VAL A 75 4.304 -2.285 7.384 1.00 0.00 C ATOM 1155 CG1 VAL A 75 5.012 -0.917 7.436 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.222 -3.360 6.739 1.00 0.00 C ATOM 0 H VAL A 75 2.896 -4.344 7.825 1.00 0.00 H new ATOM 0 HA VAL A 75 4.673 -2.727 9.478 1.00 0.00 H new ATOM 0 HB VAL A 75 3.420 -2.175 6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.339 -0.638 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.321 -0.164 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.877 -0.980 8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.547 -3.019 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.093 -3.522 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.670 -4.294 6.634 1.00 0.00 H new ATOM 1166 N THR A 76 2.697 -1.669 10.715 1.00 0.00 N ATOM 1167 CA THR A 76 1.605 -1.010 11.453 1.00 0.00 C ATOM 1168 C THR A 76 1.602 0.526 11.281 1.00 0.00 C ATOM 1169 O THR A 76 2.654 1.175 11.359 1.00 0.00 O ATOM 1170 CB THR A 76 1.673 -1.388 12.972 1.00 0.00 C ATOM 1171 OG1 THR A 76 2.970 -1.066 13.493 1.00 0.00 O ATOM 1172 CG2 THR A 76 1.382 -2.890 13.205 1.00 0.00 C ATOM 0 H THR A 76 3.430 -2.039 11.320 1.00 0.00 H new ATOM 0 HA THR A 76 0.671 -1.375 11.026 1.00 0.00 H new ATOM 0 HB THR A 76 0.906 -0.813 13.491 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.009 -1.302 14.443 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.439 -3.111 14.271 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.384 -3.128 12.838 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.118 -3.490 12.670 1.00 0.00 H new ATOM 1180 N GLY A 77 0.398 1.078 11.030 1.00 0.00 N ATOM 1181 CA GLY A 77 0.185 2.521 10.945 1.00 0.00 C ATOM 1182 C GLY A 77 0.714 3.132 9.657 1.00 0.00 C ATOM 1183 O GLY A 77 0.164 2.883 8.582 1.00 0.00 O ATOM 0 H GLY A 77 -0.449 0.529 10.882 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.882 2.729 11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.670 3.003 11.794 1.00 0.00 H new ATOM 1187 N VAL A 78 1.804 3.930 9.787 1.00 0.00 N ATOM 1188 CA VAL A 78 2.519 4.608 8.671 1.00 0.00 C ATOM 1189 C VAL A 78 1.646 5.741 8.063 1.00 0.00 C ATOM 1190 O VAL A 78 2.038 6.368 7.090 1.00 0.00 O ATOM 1191 CB VAL A 78 3.017 3.583 7.547 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.016 4.218 6.552 1.00 0.00 C ATOM 1193 CG2 VAL A 78 3.632 2.312 8.170 1.00 0.00 C ATOM 0 H VAL A 78 2.223 4.126 10.696 1.00 0.00 H new ATOM 0 HA VAL A 78 3.417 5.059 9.093 1.00 0.00 H new ATOM 0 HB VAL A 78 2.125 3.306 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.317 3.474 5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.541 5.059 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.895 4.569 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.959 1.640 7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.487 2.587 8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.885 1.811 8.786 1.00 0.00 H new ATOM 1203 N ASP A 79 0.508 6.048 8.730 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.591 6.907 8.210 1.00 0.00 C ATOM 1205 C ASP A 79 -0.090 8.237 7.614 1.00 0.00 C ATOM 1206 O ASP A 79 -0.575 8.687 6.561 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.599 7.229 9.343 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.130 5.976 10.051 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -1.488 5.520 11.031 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.181 5.443 9.643 1.00 0.00 O ATOM 0 H ASP A 79 0.321 5.698 9.669 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.067 6.338 7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.118 7.877 10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.438 7.787 8.927 1.00 0.00 H new ATOM 1215 N ASP A 80 0.880 8.842 8.318 1.00 0.00 N ATOM 1216 CA ASP A 80 1.488 10.123 7.935 1.00 0.00 C ATOM 1217 C ASP A 80 2.308 9.989 6.646 1.00 0.00 C ATOM 1218 O ASP A 80 2.164 10.789 5.732 1.00 0.00 O ATOM 1219 CB ASP A 80 2.380 10.651 9.087 1.00 0.00 C ATOM 1220 CG ASP A 80 2.990 12.037 8.808 1.00 0.00 C ATOM 1221 OD1 ASP A 80 2.226 13.030 8.781 1.00 0.00 O ATOM 1222 OD2 ASP A 80 4.220 12.150 8.617 1.00 0.00 O ATOM 0 H ASP A 80 1.267 8.451 9.177 1.00 0.00 H new ATOM 0 HA ASP A 80 0.686 10.836 7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.787 10.701 10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.185 9.939 9.268 1.00 0.00 H new ATOM 1227 N GLU A 81 3.148 8.943 6.575 1.00 0.00 N ATOM 1228 CA GLU A 81 4.047 8.717 5.422 1.00 0.00 C ATOM 1229 C GLU A 81 3.250 8.212 4.192 1.00 0.00 C ATOM 1230 O GLU A 81 3.662 8.433 3.054 1.00 0.00 O ATOM 1231 CB GLU A 81 5.164 7.733 5.829 1.00 0.00 C ATOM 1232 CG GLU A 81 6.265 7.501 4.765 1.00 0.00 C ATOM 1233 CD GLU A 81 7.443 6.665 5.287 1.00 0.00 C ATOM 1234 OE1 GLU A 81 7.220 5.527 5.756 1.00 0.00 O ATOM 1235 OE2 GLU A 81 8.596 7.145 5.270 1.00 0.00 O ATOM 0 H GLU A 81 3.226 8.235 7.305 1.00 0.00 H new ATOM 0 HA GLU A 81 4.510 9.660 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.635 8.101 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.709 6.773 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.827 7.001 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.637 8.466 4.420 1.00 0.00 H new ATOM 1242 N LEU A 82 2.085 7.576 4.452 1.00 0.00 N ATOM 1243 CA LEU A 82 1.132 7.135 3.408 1.00 0.00 C ATOM 1244 C LEU A 82 0.448 8.348 2.760 1.00 0.00 C ATOM 1245 O LEU A 82 0.114 8.324 1.576 1.00 0.00 O ATOM 1246 CB LEU A 82 0.077 6.170 4.008 1.00 0.00 C ATOM 1247 CG LEU A 82 0.649 4.834 4.575 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.432 3.996 5.286 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.357 4.015 3.478 1.00 0.00 C ATOM 0 H LEU A 82 1.778 7.353 5.399 1.00 0.00 H new ATOM 0 HA LEU A 82 1.687 6.600 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.454 6.688 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.657 5.935 3.238 1.00 0.00 H new ATOM 0 HG LEU A 82 1.393 5.101 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.012 3.075 5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.847 4.567 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.226 3.753 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.744 3.091 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.647 3.778 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.181 4.596 3.065 1.00 0.00 H new ATOM 1261 N ASP A 83 0.248 9.398 3.573 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.227 10.712 3.104 1.00 0.00 C ATOM 1263 C ASP A 83 0.860 11.391 2.236 1.00 0.00 C ATOM 1264 O ASP A 83 0.552 12.054 1.239 1.00 0.00 O ATOM 1265 CB ASP A 83 -0.600 11.593 4.330 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.019 13.027 3.969 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -2.137 13.219 3.448 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.236 13.971 4.207 1.00 0.00 O ATOM 0 H ASP A 83 0.412 9.360 4.579 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.116 10.583 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.414 11.114 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.253 11.635 5.007 1.00 0.00 H new ATOM 1273 N LEU A 84 2.140 11.191 2.618 1.00 0.00 N ATOM 1274 CA LEU A 84 3.310 11.725 1.877 1.00 0.00 C ATOM 1275 C LEU A 84 3.657 10.881 0.624 1.00 0.00 C ATOM 1276 O LEU A 84 4.589 11.238 -0.097 1.00 0.00 O ATOM 1277 CB LEU A 84 4.563 11.869 2.821 1.00 0.00 C ATOM 1278 CG LEU A 84 4.680 13.201 3.649 1.00 0.00 C ATOM 1279 CD1 LEU A 84 4.754 14.436 2.722 1.00 0.00 C ATOM 1280 CD2 LEU A 84 3.542 13.350 4.677 1.00 0.00 C ATOM 0 H LEU A 84 2.394 10.655 3.448 1.00 0.00 H new ATOM 0 HA LEU A 84 3.028 12.717 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.558 11.034 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.461 11.769 2.211 1.00 0.00 H new ATOM 0 HG LEU A 84 5.613 13.142 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.834 15.340 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.627 14.353 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.853 14.487 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.666 14.285 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.583 13.357 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.571 12.514 5.376 1.00 0.00 H new ATOM 1292 N LEU A 85 2.916 9.776 0.369 1.00 0.00 N ATOM 1293 CA LEU A 85 3.113 8.947 -0.848 1.00 0.00 C ATOM 1294 C LEU A 85 2.414 9.563 -2.072 1.00 0.00 C ATOM 1295 O LEU A 85 1.380 10.231 -1.946 1.00 0.00 O ATOM 1296 CB LEU A 85 2.604 7.500 -0.648 1.00 0.00 C ATOM 1297 CG LEU A 85 3.366 6.632 0.396 1.00 0.00 C ATOM 1298 CD1 LEU A 85 2.803 5.201 0.424 1.00 0.00 C ATOM 1299 CD2 LEU A 85 4.895 6.630 0.149 1.00 0.00 C ATOM 0 H LEU A 85 2.178 9.438 0.987 1.00 0.00 H new ATOM 0 HA LEU A 85 4.188 8.920 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.556 7.545 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.643 6.989 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 85 3.207 7.083 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.348 4.610 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.747 5.231 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.914 4.747 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.384 6.012 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.103 6.228 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.275 7.649 0.214 1.00 0.00 H new ATOM 1311 N GLU A 86 2.979 9.272 -3.254 1.00 0.00 N ATOM 1312 CA GLU A 86 2.510 9.779 -4.548 1.00 0.00 C ATOM 1313 C GLU A 86 2.419 8.615 -5.549 1.00 0.00 C ATOM 1314 O GLU A 86 1.443 8.504 -6.298 1.00 0.00 O ATOM 1315 CB GLU A 86 3.496 10.852 -5.072 1.00 0.00 C ATOM 1316 CG GLU A 86 3.163 11.422 -6.468 1.00 0.00 C ATOM 1317 CD GLU A 86 4.283 12.317 -7.019 1.00 0.00 C ATOM 1318 OE1 GLU A 86 5.238 11.783 -7.620 1.00 0.00 O ATOM 1319 OE2 GLU A 86 4.224 13.553 -6.841 1.00 0.00 O ATOM 0 H GLU A 86 3.793 8.663 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 86 1.524 10.229 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.526 11.675 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.496 10.420 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.986 10.599 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.238 11.996 -6.412 1.00 0.00 H new ATOM 1326 N THR A 87 3.464 7.758 -5.571 1.00 0.00 N ATOM 1327 CA THR A 87 3.565 6.618 -6.511 1.00 0.00 C ATOM 1328 C THR A 87 3.589 5.283 -5.751 1.00 0.00 C ATOM 1329 O THR A 87 3.974 5.215 -4.572 1.00 0.00 O ATOM 1330 CB THR A 87 4.849 6.729 -7.411 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.036 6.671 -6.600 1.00 0.00 O ATOM 1332 CG2 THR A 87 4.866 8.029 -8.239 1.00 0.00 C ATOM 0 H THR A 87 4.260 7.837 -4.939 1.00 0.00 H new ATOM 0 HA THR A 87 2.684 6.651 -7.153 1.00 0.00 H new ATOM 0 HB THR A 87 4.827 5.885 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.828 6.739 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.771 8.062 -8.845 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.992 8.057 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.847 8.888 -7.568 1.00 0.00 H new ATOM 1340 N VAL A 88 3.187 4.214 -6.459 1.00 0.00 N ATOM 1341 CA VAL A 88 3.241 2.834 -5.953 1.00 0.00 C ATOM 1342 C VAL A 88 4.708 2.381 -5.800 1.00 0.00 C ATOM 1343 O VAL A 88 5.036 1.623 -4.887 1.00 0.00 O ATOM 1344 CB VAL A 88 2.476 1.868 -6.924 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.553 0.400 -6.455 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.009 2.318 -7.119 1.00 0.00 C ATOM 0 H VAL A 88 2.813 4.285 -7.405 1.00 0.00 H new ATOM 0 HA VAL A 88 2.759 2.801 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 88 2.975 1.922 -7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.010 -0.235 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.596 0.086 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.107 0.311 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.504 1.630 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.498 2.320 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.990 3.323 -7.542 1.00 0.00 H new ATOM 1356 N ASP A 89 5.569 2.884 -6.696 1.00 0.00 N ATOM 1357 CA ASP A 89 7.027 2.644 -6.669 1.00 0.00 C ATOM 1358 C ASP A 89 7.632 3.143 -5.349 1.00 0.00 C ATOM 1359 O ASP A 89 8.504 2.497 -4.767 1.00 0.00 O ATOM 1360 CB ASP A 89 7.681 3.372 -7.874 1.00 0.00 C ATOM 1361 CG ASP A 89 9.196 3.148 -7.990 1.00 0.00 C ATOM 1362 OD1 ASP A 89 9.601 2.079 -8.493 1.00 0.00 O ATOM 1363 OD2 ASP A 89 9.985 4.025 -7.565 1.00 0.00 O ATOM 0 H ASP A 89 5.273 3.477 -7.471 1.00 0.00 H new ATOM 0 HA ASP A 89 7.219 1.573 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.202 3.034 -8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.487 4.441 -7.788 1.00 0.00 H new ATOM 1368 N GLU A 90 7.121 4.293 -4.885 1.00 0.00 N ATOM 1369 CA GLU A 90 7.527 4.920 -3.620 1.00 0.00 C ATOM 1370 C GLU A 90 6.990 4.125 -2.405 1.00 0.00 C ATOM 1371 O GLU A 90 7.635 4.088 -1.355 1.00 0.00 O ATOM 1372 CB GLU A 90 7.021 6.378 -3.616 1.00 0.00 C ATOM 1373 CG GLU A 90 7.435 7.229 -2.403 1.00 0.00 C ATOM 1374 CD GLU A 90 7.078 8.712 -2.575 1.00 0.00 C ATOM 1375 OE1 GLU A 90 5.896 9.028 -2.829 1.00 0.00 O ATOM 1376 OE2 GLU A 90 7.981 9.569 -2.486 1.00 0.00 O ATOM 0 H GLU A 90 6.405 4.820 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 90 8.614 4.915 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.380 6.870 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.933 6.365 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.946 6.843 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.509 7.133 -2.246 1.00 0.00 H new ATOM 1383 N LEU A 91 5.804 3.494 -2.575 1.00 0.00 N ATOM 1384 CA LEU A 91 5.223 2.570 -1.565 1.00 0.00 C ATOM 1385 C LEU A 91 6.076 1.285 -1.438 1.00 0.00 C ATOM 1386 O LEU A 91 6.190 0.720 -0.354 1.00 0.00 O ATOM 1387 CB LEU A 91 3.750 2.224 -1.924 1.00 0.00 C ATOM 1388 CG LEU A 91 3.015 1.170 -1.016 1.00 0.00 C ATOM 1389 CD1 LEU A 91 3.015 1.567 0.487 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.576 0.918 -1.527 1.00 0.00 C ATOM 0 H LEU A 91 5.226 3.608 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 91 5.229 3.074 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.172 3.148 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.730 1.857 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 91 3.579 0.240 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.494 0.803 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.042 1.652 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.508 2.524 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.085 0.186 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.014 1.852 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.614 0.538 -2.548 1.00 0.00 H new ATOM 1402 N PHE A 92 6.667 0.840 -2.560 1.00 0.00 N ATOM 1403 CA PHE A 92 7.607 -0.301 -2.575 1.00 0.00 C ATOM 1404 C PHE A 92 8.917 0.056 -1.851 1.00 0.00 C ATOM 1405 O PHE A 92 9.482 -0.776 -1.137 1.00 0.00 O ATOM 1406 CB PHE A 92 7.894 -0.762 -4.029 1.00 0.00 C ATOM 1407 CG PHE A 92 6.756 -1.566 -4.653 1.00 0.00 C ATOM 1408 CD1 PHE A 92 6.333 -2.745 -4.048 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.127 -1.170 -5.835 1.00 0.00 C ATOM 1410 CE1 PHE A 92 5.321 -3.493 -4.594 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.117 -1.932 -6.381 1.00 0.00 C ATOM 1412 CZ PHE A 92 4.716 -3.091 -5.760 1.00 0.00 C ATOM 0 H PHE A 92 6.510 1.256 -3.478 1.00 0.00 H new ATOM 0 HA PHE A 92 7.138 -1.128 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.089 0.114 -4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.801 -1.366 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.808 -3.076 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.435 -0.258 -6.326 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.999 -4.401 -4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.640 -1.618 -7.298 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.924 -3.687 -6.190 1.00 0.00 H new ATOM 1422 N GLN A 93 9.383 1.303 -2.046 1.00 0.00 N ATOM 1423 CA GLN A 93 10.574 1.846 -1.351 1.00 0.00 C ATOM 1424 C GLN A 93 10.288 2.048 0.151 1.00 0.00 C ATOM 1425 O GLN A 93 11.197 1.949 0.981 1.00 0.00 O ATOM 1426 CB GLN A 93 11.019 3.173 -2.020 1.00 0.00 C ATOM 1427 CG GLN A 93 11.463 3.007 -3.493 1.00 0.00 C ATOM 1428 CD GLN A 93 11.850 4.327 -4.163 1.00 0.00 C ATOM 1429 OE1 GLN A 93 13.008 4.743 -4.121 1.00 0.00 O ATOM 1430 NE2 GLN A 93 10.891 4.983 -4.802 1.00 0.00 N ATOM 0 H GLN A 93 8.948 1.965 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 93 11.389 1.127 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.196 3.886 -1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.842 3.600 -1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.312 2.325 -3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.654 2.544 -4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.942 4.611 -4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.103 5.860 -5.278 1.00 0.00 H new ATOM 1439 N LEU A 94 9.008 2.313 0.478 1.00 0.00 N ATOM 1440 CA LEU A 94 8.522 2.404 1.866 1.00 0.00 C ATOM 1441 C LEU A 94 8.645 1.025 2.540 1.00 0.00 C ATOM 1442 O LEU A 94 9.370 0.877 3.522 1.00 0.00 O ATOM 1443 CB LEU A 94 7.049 2.940 1.871 1.00 0.00 C ATOM 1444 CG LEU A 94 6.351 3.220 3.261 1.00 0.00 C ATOM 1445 CD1 LEU A 94 5.216 4.253 3.097 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.788 1.934 3.935 1.00 0.00 C ATOM 0 H LEU A 94 8.279 2.471 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 94 9.127 3.107 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.032 3.868 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.433 2.221 1.330 1.00 0.00 H new ATOM 0 HG LEU A 94 7.127 3.615 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.746 4.434 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.627 5.187 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.473 3.869 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.322 2.195 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.046 1.475 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.601 1.230 4.111 1.00 0.00 H new ATOM 1458 N VAL A 95 7.963 0.017 1.962 1.00 0.00 N ATOM 1459 CA VAL A 95 7.935 -1.369 2.482 1.00 0.00 C ATOM 1460 C VAL A 95 9.364 -1.964 2.560 1.00 0.00 C ATOM 1461 O VAL A 95 9.651 -2.756 3.454 1.00 0.00 O ATOM 1462 CB VAL A 95 6.985 -2.282 1.606 1.00 0.00 C ATOM 1463 CG1 VAL A 95 7.028 -3.773 2.048 1.00 0.00 C ATOM 1464 CG2 VAL A 95 5.528 -1.737 1.639 1.00 0.00 C ATOM 0 H VAL A 95 7.410 0.140 1.114 1.00 0.00 H new ATOM 0 HA VAL A 95 7.532 -1.340 3.494 1.00 0.00 H new ATOM 0 HB VAL A 95 7.353 -2.245 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.360 -4.359 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.045 -4.152 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.709 -3.854 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.887 -2.376 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.165 -1.731 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.510 -0.722 1.242 1.00 0.00 H new ATOM 1474 N GLU A 96 10.243 -1.519 1.639 1.00 0.00 N ATOM 1475 CA GLU A 96 11.671 -1.885 1.614 1.00 0.00 C ATOM 1476 C GLU A 96 12.385 -1.429 2.907 1.00 0.00 C ATOM 1477 O GLU A 96 13.030 -2.231 3.590 1.00 0.00 O ATOM 1478 CB GLU A 96 12.361 -1.244 0.375 1.00 0.00 C ATOM 1479 CG GLU A 96 13.872 -1.531 0.251 1.00 0.00 C ATOM 1480 CD GLU A 96 14.181 -3.022 0.053 1.00 0.00 C ATOM 1481 OE1 GLU A 96 14.354 -3.755 1.056 1.00 0.00 O ATOM 1482 OE2 GLU A 96 14.243 -3.481 -1.106 1.00 0.00 O ATOM 0 H GLU A 96 9.976 -0.888 0.883 1.00 0.00 H new ATOM 0 HA GLU A 96 11.743 -2.971 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.863 -1.603 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.213 -0.165 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.277 -0.966 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.379 -1.176 1.148 1.00 0.00 H new ATOM 1489 N LYS A 97 12.234 -0.134 3.228 1.00 0.00 N ATOM 1490 CA LYS A 97 12.876 0.497 4.401 1.00 0.00 C ATOM 1491 C LYS A 97 12.272 -0.026 5.720 1.00 0.00 C ATOM 1492 O LYS A 97 12.956 -0.089 6.746 1.00 0.00 O ATOM 1493 CB LYS A 97 12.736 2.039 4.300 1.00 0.00 C ATOM 1494 CG LYS A 97 13.490 2.660 3.105 1.00 0.00 C ATOM 1495 CD LYS A 97 13.242 4.186 2.907 1.00 0.00 C ATOM 1496 CE LYS A 97 13.772 5.074 4.064 1.00 0.00 C ATOM 1497 NZ LYS A 97 12.917 5.028 5.283 1.00 0.00 N ATOM 0 H LYS A 97 11.662 0.510 2.682 1.00 0.00 H new ATOM 0 HA LYS A 97 13.934 0.234 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.679 2.293 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.104 2.488 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.559 2.493 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.197 2.136 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.714 4.501 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.171 4.357 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.781 4.755 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.843 6.105 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.748 5.995 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.008 4.579 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.397 4.477 6.023 1.00 0.00 H new ATOM 1511 N HIS A 98 10.983 -0.399 5.665 1.00 0.00 N ATOM 1512 CA HIS A 98 10.242 -0.960 6.814 1.00 0.00 C ATOM 1513 C HIS A 98 10.494 -2.476 6.968 1.00 0.00 C ATOM 1514 O HIS A 98 10.205 -3.053 8.017 1.00 0.00 O ATOM 1515 CB HIS A 98 8.731 -0.638 6.694 1.00 0.00 C ATOM 1516 CG HIS A 98 8.404 0.834 6.876 1.00 0.00 C ATOM 1517 ND1 HIS A 98 7.470 1.292 7.773 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.895 1.945 6.270 1.00 0.00 C ATOM 1519 CE1 HIS A 98 7.400 2.601 7.701 1.00 0.00 C ATOM 1520 NE2 HIS A 98 8.254 3.016 6.804 1.00 0.00 N ATOM 0 H HIS A 98 10.420 -0.321 4.818 1.00 0.00 H new ATOM 0 HA HIS A 98 10.615 -0.486 7.722 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.376 -0.962 5.715 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.185 -1.217 7.439 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.656 1.972 5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.745 3.230 8.286 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.414 3.990 6.546 1.00 0.00 H new ATOM 1529 N ARG A 99 11.004 -3.115 5.899 1.00 0.00 N ATOM 1530 CA ARG A 99 11.488 -4.513 5.947 1.00 0.00 C ATOM 1531 C ARG A 99 12.937 -4.531 6.481 1.00 0.00 C ATOM 1532 O ARG A 99 13.339 -5.463 7.185 1.00 0.00 O ATOM 1533 CB ARG A 99 11.399 -5.165 4.537 1.00 0.00 C ATOM 1534 CG ARG A 99 11.857 -6.642 4.458 1.00 0.00 C ATOM 1535 CD ARG A 99 11.634 -7.261 3.061 1.00 0.00 C ATOM 1536 NE ARG A 99 12.317 -6.514 1.986 1.00 0.00 N ATOM 1537 CZ ARG A 99 12.076 -6.668 0.672 1.00 0.00 C ATOM 1538 NH1 ARG A 99 11.168 -7.527 0.236 1.00 0.00 N ATOM 1539 NH2 ARG A 99 12.747 -5.953 -0.205 1.00 0.00 N ATOM 0 H ARG A 99 11.093 -2.682 4.980 1.00 0.00 H new ATOM 0 HA ARG A 99 10.859 -5.096 6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.367 -5.103 4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.003 -4.578 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.915 -6.704 4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.314 -7.227 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.991 -8.291 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.565 -7.295 2.851 1.00 0.00 H new ATOM 0 HE ARG A 99 13.023 -5.831 2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.635 -8.088 0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.001 -7.628 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.448 -5.284 0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.566 -6.068 -1.202 1.00 0.00 H new ATOM 1553 N ALA A 100 13.702 -3.472 6.140 1.00 0.00 N ATOM 1554 CA ALA A 100 15.092 -3.282 6.602 1.00 0.00 C ATOM 1555 C ALA A 100 15.123 -2.939 8.109 1.00 0.00 C ATOM 1556 O ALA A 100 16.035 -3.352 8.829 1.00 0.00 O ATOM 1557 CB ALA A 100 15.774 -2.181 5.772 1.00 0.00 C ATOM 0 H ALA A 100 13.370 -2.722 5.534 1.00 0.00 H new ATOM 0 HA ALA A 100 15.642 -4.213 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.799 -2.046 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.781 -2.469 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.226 -1.246 5.888 1.00 0.00 H new ATOM 1563 N ALA A 101 14.111 -2.177 8.556 1.00 0.00 N ATOM 1564 CA ALA A 101 13.903 -1.816 9.966 1.00 0.00 C ATOM 1565 C ALA A 101 12.398 -1.613 10.190 1.00 0.00 C ATOM 1566 O ALA A 101 11.824 -0.647 9.674 1.00 0.00 O ATOM 1567 CB ALA A 101 14.711 -0.548 10.340 1.00 0.00 C ATOM 0 H ALA A 101 13.402 -1.788 7.935 1.00 0.00 H new ATOM 0 HA ALA A 101 14.263 -2.615 10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 101 14.539 -0.303 11.388 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.773 -0.733 10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.390 0.285 9.715 1.00 0.00 H new