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 -128:sc= -0.952 (180deg=-1.53) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 69:sc= 1 USER MOD Single : A 36 SER OG : rot 150:sc= -0.243 USER MOD Single : A 39 SER OG : rot 90:sc= 0.773 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.149 USER MOD Single : A 50 SER OG : rot 179:sc= 1.26 USER MOD Single : A 52 MET CE :methyl -171:sc= -0.086 (180deg=-0.262) 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 163:sc= 0.476 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.613 USER MOD Single : A 87 THR OG1 : rot 127:sc= 0.904 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.421 F(o=-2.1!,f=-0.42) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc=-0.000284 X(o=-0.00028,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 6.723 -9.286 -2.327 1.00 0.00 N ATOM 393 CA MET A 27 6.105 -8.070 -1.760 1.00 0.00 C ATOM 394 C MET A 27 5.254 -7.358 -2.823 1.00 0.00 C ATOM 395 O MET A 27 4.111 -6.994 -2.554 1.00 0.00 O ATOM 396 CB MET A 27 7.187 -7.101 -1.186 1.00 0.00 C ATOM 397 CG MET A 27 8.246 -6.624 -2.192 1.00 0.00 C ATOM 398 SD MET A 27 9.404 -5.428 -1.497 1.00 0.00 S ATOM 399 CE MET A 27 8.309 -4.101 -0.986 1.00 0.00 C ATOM 0 HA MET A 27 5.457 -8.373 -0.937 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.684 -6.227 -0.772 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.694 -7.599 -0.359 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.802 -7.486 -2.560 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.746 -6.178 -3.051 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.664 -3.157 -1.399 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.301 -4.300 -1.350 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.296 -4.039 0.102 1.00 0.00 H new ATOM 409 N GLU A 28 5.805 -7.221 -4.045 1.00 0.00 N ATOM 410 CA GLU A 28 5.256 -6.340 -5.090 1.00 0.00 C ATOM 411 C GLU A 28 3.820 -6.698 -5.471 1.00 0.00 C ATOM 412 O GLU A 28 2.924 -5.871 -5.348 1.00 0.00 O ATOM 413 CB GLU A 28 6.156 -6.359 -6.349 1.00 0.00 C ATOM 414 CG GLU A 28 7.550 -5.740 -6.134 1.00 0.00 C ATOM 415 CD GLU A 28 8.432 -5.852 -7.379 1.00 0.00 C ATOM 416 OE1 GLU A 28 8.269 -5.035 -8.315 1.00 0.00 O ATOM 417 OE2 GLU A 28 9.267 -6.769 -7.435 1.00 0.00 O ATOM 0 H GLU A 28 6.646 -7.721 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 28 5.239 -5.335 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.275 -7.390 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.651 -5.821 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.441 -4.690 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.041 -6.237 -5.297 1.00 0.00 H new ATOM 424 N ASP A 29 3.627 -7.952 -5.894 1.00 0.00 N ATOM 425 CA ASP A 29 2.330 -8.455 -6.379 1.00 0.00 C ATOM 426 C ASP A 29 1.268 -8.459 -5.269 1.00 0.00 C ATOM 427 O ASP A 29 0.068 -8.372 -5.554 1.00 0.00 O ATOM 428 CB ASP A 29 2.517 -9.863 -6.971 1.00 0.00 C ATOM 429 CG ASP A 29 3.465 -9.859 -8.176 1.00 0.00 C ATOM 430 OD1 ASP A 29 4.693 -9.735 -7.970 1.00 0.00 O ATOM 431 OD2 ASP A 29 2.996 -9.977 -9.326 1.00 0.00 O ATOM 0 H ASP A 29 4.368 -8.653 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 29 1.968 -7.783 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.910 -10.530 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.548 -10.261 -7.273 1.00 0.00 H new ATOM 436 N HIS A 30 1.730 -8.540 -4.010 1.00 0.00 N ATOM 437 CA HIS A 30 0.865 -8.378 -2.840 1.00 0.00 C ATOM 438 C HIS A 30 0.362 -6.919 -2.743 1.00 0.00 C ATOM 439 O HIS A 30 -0.826 -6.711 -2.539 1.00 0.00 O ATOM 440 CB HIS A 30 1.594 -8.802 -1.542 1.00 0.00 C ATOM 441 CG HIS A 30 1.848 -10.280 -1.411 1.00 0.00 C ATOM 442 ND1 HIS A 30 3.108 -10.838 -1.414 1.00 0.00 N ATOM 443 CD2 HIS A 30 0.985 -11.316 -1.229 1.00 0.00 C ATOM 444 CE1 HIS A 30 3.007 -12.139 -1.239 1.00 0.00 C ATOM 445 NE2 HIS A 30 1.736 -12.453 -1.124 1.00 0.00 N ATOM 0 H HIS A 30 2.708 -8.719 -3.780 1.00 0.00 H new ATOM 0 HA HIS A 30 0.002 -9.033 -2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.549 -8.278 -1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.004 -8.472 -0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.092 -11.252 -1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.833 -12.834 -1.197 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.369 -13.394 -0.980 1.00 0.00 H new ATOM 454 N LEU A 31 1.269 -5.919 -2.927 1.00 0.00 N ATOM 455 CA LEU A 31 0.881 -4.477 -2.952 1.00 0.00 C ATOM 456 C LEU A 31 0.016 -4.144 -4.191 1.00 0.00 C ATOM 457 O LEU A 31 -0.792 -3.215 -4.140 1.00 0.00 O ATOM 458 CB LEU A 31 2.103 -3.504 -2.893 1.00 0.00 C ATOM 459 CG LEU A 31 2.732 -3.221 -1.475 1.00 0.00 C ATOM 460 CD1 LEU A 31 3.613 -4.379 -0.980 1.00 0.00 C ATOM 461 CD2 LEU A 31 3.519 -1.887 -1.469 1.00 0.00 C ATOM 0 H LEU A 31 2.267 -6.082 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 31 0.295 -4.322 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.886 -3.906 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.796 -2.550 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 31 1.900 -3.134 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.021 -4.132 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.013 -5.286 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.430 -4.541 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.941 -1.718 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.323 -1.936 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.847 -1.067 -1.721 1.00 0.00 H new ATOM 473 N LEU A 32 0.216 -4.889 -5.295 1.00 0.00 N ATOM 474 CA LEU A 32 -0.640 -4.783 -6.496 1.00 0.00 C ATOM 475 C LEU A 32 -2.079 -5.200 -6.154 1.00 0.00 C ATOM 476 O LEU A 32 -3.030 -4.584 -6.626 1.00 0.00 O ATOM 477 CB LEU A 32 -0.069 -5.634 -7.688 1.00 0.00 C ATOM 478 CG LEU A 32 0.883 -4.890 -8.691 1.00 0.00 C ATOM 479 CD1 LEU A 32 2.088 -4.232 -7.984 1.00 0.00 C ATOM 480 CD2 LEU A 32 1.355 -5.843 -9.818 1.00 0.00 C ATOM 0 H LEU A 32 0.966 -5.575 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.647 -3.743 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.472 -6.484 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.910 -6.037 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 32 0.301 -4.085 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.714 -3.731 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.730 -3.503 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.672 -4.997 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.013 -5.303 -10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.895 -6.683 -9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.490 -6.214 -10.367 1.00 0.00 H new ATOM 492 N THR A 33 -2.199 -6.242 -5.310 1.00 0.00 N ATOM 493 CA THR A 33 -3.495 -6.752 -4.827 1.00 0.00 C ATOM 494 C THR A 33 -4.103 -5.791 -3.778 1.00 0.00 C ATOM 495 O THR A 33 -5.321 -5.622 -3.713 1.00 0.00 O ATOM 496 CB THR A 33 -3.335 -8.197 -4.226 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.651 -9.030 -5.177 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.687 -8.849 -3.866 1.00 0.00 C ATOM 0 H THR A 33 -1.397 -6.755 -4.943 1.00 0.00 H new ATOM 0 HA THR A 33 -4.176 -6.808 -5.676 1.00 0.00 H new ATOM 0 HB THR A 33 -2.763 -8.102 -3.303 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.718 -8.740 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.513 -9.844 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.201 -8.236 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.303 -8.928 -4.762 1.00 0.00 H new ATOM 506 N VAL A 34 -3.230 -5.151 -2.970 1.00 0.00 N ATOM 507 CA VAL A 34 -3.647 -4.185 -1.937 1.00 0.00 C ATOM 508 C VAL A 34 -4.332 -2.969 -2.591 1.00 0.00 C ATOM 509 O VAL A 34 -5.490 -2.680 -2.299 1.00 0.00 O ATOM 510 CB VAL A 34 -2.427 -3.714 -1.045 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.801 -2.521 -0.134 1.00 0.00 C ATOM 512 CG2 VAL A 34 -1.866 -4.884 -0.199 1.00 0.00 C ATOM 0 H VAL A 34 -2.221 -5.291 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.358 -4.688 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.648 -3.377 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.934 -2.231 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.117 -1.679 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.615 -2.811 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.029 -4.529 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.648 -5.267 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.525 -5.681 -0.860 1.00 0.00 H new ATOM 522 N LEU A 35 -3.601 -2.291 -3.493 1.00 0.00 N ATOM 523 CA LEU A 35 -4.073 -1.072 -4.173 1.00 0.00 C ATOM 524 C LEU A 35 -5.316 -1.353 -5.032 1.00 0.00 C ATOM 525 O LEU A 35 -6.249 -0.553 -5.045 1.00 0.00 O ATOM 526 CB LEU A 35 -2.944 -0.473 -5.050 1.00 0.00 C ATOM 527 CG LEU A 35 -1.708 0.099 -4.287 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.614 0.561 -5.273 1.00 0.00 C ATOM 529 CD2 LEU A 35 -2.116 1.246 -3.329 1.00 0.00 C ATOM 0 H LEU A 35 -2.662 -2.575 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.351 -0.350 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.596 -1.246 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.370 0.325 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.294 -0.705 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.236 0.955 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.289 -0.285 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.015 1.340 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.232 1.621 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.573 2.053 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.831 0.871 -2.597 1.00 0.00 H new ATOM 541 N SER A 36 -5.315 -2.506 -5.732 1.00 0.00 N ATOM 542 CA SER A 36 -6.392 -2.873 -6.651 1.00 0.00 C ATOM 543 C SER A 36 -7.731 -3.043 -5.906 1.00 0.00 C ATOM 544 O SER A 36 -8.701 -2.350 -6.208 1.00 0.00 O ATOM 545 CB SER A 36 -6.025 -4.153 -7.426 1.00 0.00 C ATOM 546 OG SER A 36 -5.868 -5.271 -6.570 1.00 0.00 O ATOM 0 H SER A 36 -4.569 -3.199 -5.671 1.00 0.00 H new ATOM 0 HA SER A 36 -6.517 -2.061 -7.367 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.802 -4.366 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.100 -3.988 -7.979 1.00 0.00 H new ATOM 0 HG SER A 36 -6.112 -6.089 -7.052 1.00 0.00 H new ATOM 552 N VAL A 37 -7.742 -3.935 -4.905 1.00 0.00 N ATOM 553 CA VAL A 37 -8.956 -4.286 -4.146 1.00 0.00 C ATOM 554 C VAL A 37 -9.451 -3.090 -3.292 1.00 0.00 C ATOM 555 O VAL A 37 -10.656 -2.814 -3.255 1.00 0.00 O ATOM 556 CB VAL A 37 -8.710 -5.560 -3.252 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.964 -5.939 -2.428 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.239 -6.756 -4.123 1.00 0.00 C ATOM 0 H VAL A 37 -6.909 -4.436 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.741 -4.525 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.920 -5.314 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.751 -6.822 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.233 -5.110 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.793 -6.152 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.074 -7.626 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.002 -6.988 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.309 -6.494 -4.628 1.00 0.00 H new ATOM 568 N ALA A 38 -8.506 -2.366 -2.655 1.00 0.00 N ATOM 569 CA ALA A 38 -8.820 -1.199 -1.791 1.00 0.00 C ATOM 570 C ALA A 38 -9.426 -0.026 -2.594 1.00 0.00 C ATOM 571 O ALA A 38 -10.181 0.778 -2.038 1.00 0.00 O ATOM 572 CB ALA A 38 -7.569 -0.730 -1.024 1.00 0.00 C ATOM 0 H ALA A 38 -7.509 -2.569 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.571 -1.530 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.825 0.125 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.202 -1.542 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.794 -0.441 -1.734 1.00 0.00 H new ATOM 578 N SER A 39 -9.074 0.077 -3.892 1.00 0.00 N ATOM 579 CA SER A 39 -9.622 1.117 -4.797 1.00 0.00 C ATOM 580 C SER A 39 -10.864 0.605 -5.556 1.00 0.00 C ATOM 581 O SER A 39 -11.724 1.395 -5.950 1.00 0.00 O ATOM 582 CB SER A 39 -8.532 1.570 -5.791 1.00 0.00 C ATOM 583 OG SER A 39 -7.387 2.035 -5.099 1.00 0.00 O ATOM 0 H SER A 39 -8.408 -0.551 -4.343 1.00 0.00 H new ATOM 0 HA SER A 39 -9.934 1.968 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.258 0.739 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.922 2.361 -6.431 1.00 0.00 H new ATOM 0 HG SER A 39 -6.770 1.289 -4.950 1.00 0.00 H new ATOM 589 N GLY A 40 -10.954 -0.723 -5.734 1.00 0.00 N ATOM 590 CA GLY A 40 -12.025 -1.355 -6.518 1.00 0.00 C ATOM 591 C GLY A 40 -11.690 -1.462 -8.005 1.00 0.00 C ATOM 592 O GLY A 40 -12.587 -1.659 -8.830 1.00 0.00 O ATOM 0 H GLY A 40 -10.288 -1.387 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.219 -2.352 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.944 -0.780 -6.398 1.00 0.00 H new ATOM 596 N VAL A 41 -10.394 -1.319 -8.338 1.00 0.00 N ATOM 597 CA VAL A 41 -9.858 -1.471 -9.704 1.00 0.00 C ATOM 598 C VAL A 41 -9.168 -2.857 -9.852 1.00 0.00 C ATOM 599 O VAL A 41 -8.879 -3.499 -8.846 1.00 0.00 O ATOM 600 CB VAL A 41 -8.828 -0.316 -10.025 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.499 1.073 -9.955 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.584 -0.371 -9.107 1.00 0.00 C ATOM 0 H VAL A 41 -9.675 -1.090 -7.651 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.684 -1.406 -10.412 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.485 -0.478 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.763 1.844 -10.181 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.311 1.122 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.898 1.234 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.905 0.442 -9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.894 -0.268 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.075 -1.325 -9.241 1.00 0.00 H new ATOM 612 N PRO A 42 -8.955 -3.376 -11.100 1.00 0.00 N ATOM 613 CA PRO A 42 -8.093 -4.568 -11.330 1.00 0.00 C ATOM 614 C PRO A 42 -6.584 -4.271 -11.098 1.00 0.00 C ATOM 615 O PRO A 42 -6.154 -3.111 -11.172 1.00 0.00 O ATOM 616 CB PRO A 42 -8.366 -4.939 -12.821 1.00 0.00 C ATOM 617 CG PRO A 42 -9.610 -4.177 -13.196 1.00 0.00 C ATOM 618 CD PRO A 42 -9.586 -2.916 -12.363 1.00 0.00 C ATOM 0 HA PRO A 42 -8.324 -5.374 -10.633 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.526 -4.659 -13.457 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.511 -6.013 -12.939 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.619 -3.943 -14.260 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.505 -4.764 -12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.008 -2.125 -12.841 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.588 -2.521 -12.196 1.00 0.00 H new ATOM 626 N LYS A 43 -5.790 -5.341 -10.843 1.00 0.00 N ATOM 627 CA LYS A 43 -4.303 -5.265 -10.735 1.00 0.00 C ATOM 628 C LYS A 43 -3.669 -4.862 -12.075 1.00 0.00 C ATOM 629 O LYS A 43 -2.515 -4.427 -12.117 1.00 0.00 O ATOM 630 CB LYS A 43 -3.688 -6.613 -10.269 1.00 0.00 C ATOM 631 CG LYS A 43 -4.210 -7.135 -8.912 1.00 0.00 C ATOM 632 CD LYS A 43 -3.465 -8.400 -8.425 1.00 0.00 C ATOM 633 CE LYS A 43 -3.529 -9.568 -9.426 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.811 -10.758 -8.911 1.00 0.00 N ATOM 0 H LYS A 43 -6.158 -6.282 -10.706 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.085 -4.503 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.884 -7.367 -11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.606 -6.498 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.109 -6.349 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.274 -7.357 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.421 -8.149 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.892 -8.721 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.570 -9.825 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.092 -9.260 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.872 -11.528 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.813 -10.517 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.244 -11.065 -8.017 1.00 0.00 H new ATOM 648 N GLU A 44 -4.438 -5.057 -13.160 1.00 0.00 N ATOM 649 CA GLU A 44 -4.080 -4.619 -14.521 1.00 0.00 C ATOM 650 C GLU A 44 -3.817 -3.094 -14.561 1.00 0.00 C ATOM 651 O GLU A 44 -2.986 -2.610 -15.341 1.00 0.00 O ATOM 652 CB GLU A 44 -5.238 -4.985 -15.488 1.00 0.00 C ATOM 653 CG GLU A 44 -5.670 -6.474 -15.437 1.00 0.00 C ATOM 654 CD GLU A 44 -6.901 -6.784 -16.306 1.00 0.00 C ATOM 655 OE1 GLU A 44 -8.004 -6.296 -15.984 1.00 0.00 O ATOM 656 OE2 GLU A 44 -6.777 -7.508 -17.313 1.00 0.00 O ATOM 0 H GLU A 44 -5.340 -5.531 -13.116 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.164 -5.125 -14.828 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.101 -4.361 -15.255 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.935 -4.742 -16.506 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.838 -7.097 -15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.886 -6.747 -14.404 1.00 0.00 H new ATOM 663 N GLU A 45 -4.535 -2.356 -13.689 1.00 0.00 N ATOM 664 CA GLU A 45 -4.440 -0.889 -13.577 1.00 0.00 C ATOM 665 C GLU A 45 -3.475 -0.479 -12.442 1.00 0.00 C ATOM 666 O GLU A 45 -3.485 0.672 -12.002 1.00 0.00 O ATOM 667 CB GLU A 45 -5.862 -0.296 -13.337 1.00 0.00 C ATOM 668 CG GLU A 45 -6.953 -0.808 -14.306 1.00 0.00 C ATOM 669 CD GLU A 45 -6.603 -0.636 -15.799 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.550 0.513 -16.280 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.388 -1.654 -16.501 1.00 0.00 O ATOM 0 H GLU A 45 -5.203 -2.768 -13.037 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.037 -0.489 -14.507 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.167 -0.524 -12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.805 0.790 -13.418 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.134 -1.864 -14.106 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.884 -0.280 -14.099 1.00 0.00 H new ATOM 678 N ILE A 46 -2.640 -1.431 -11.967 1.00 0.00 N ATOM 679 CA ILE A 46 -1.646 -1.192 -10.890 1.00 0.00 C ATOM 680 C ILE A 46 -0.230 -1.564 -11.397 1.00 0.00 C ATOM 681 O ILE A 46 -0.065 -2.567 -12.106 1.00 0.00 O ATOM 682 CB ILE A 46 -1.968 -2.032 -9.590 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.469 -1.899 -9.158 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.030 -1.622 -8.426 1.00 0.00 C ATOM 685 CD1 ILE A 46 -3.896 -0.518 -8.700 1.00 0.00 C ATOM 0 H ILE A 46 -2.635 -2.388 -12.319 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.692 -0.135 -10.629 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.791 -3.080 -9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.098 -2.195 -9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.661 -2.606 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.269 -2.212 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.006 -1.801 -8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.167 -0.564 -8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.950 -0.536 -8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.300 -0.221 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.745 0.197 -9.509 1.00 0.00 H new ATOM 697 N SER A 47 0.776 -0.758 -11.008 1.00 0.00 N ATOM 698 CA SER A 47 2.190 -0.941 -11.407 1.00 0.00 C ATOM 699 C SER A 47 3.118 -0.285 -10.356 1.00 0.00 C ATOM 700 O SER A 47 2.646 0.079 -9.270 1.00 0.00 O ATOM 701 CB SER A 47 2.399 -0.329 -12.812 1.00 0.00 C ATOM 702 OG SER A 47 1.978 1.026 -12.847 1.00 0.00 O ATOM 0 H SER A 47 0.631 0.049 -10.401 1.00 0.00 H new ATOM 0 HA SER A 47 2.438 -2.001 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.452 -0.393 -13.087 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.841 -0.906 -13.550 1.00 0.00 H new ATOM 0 HG SER A 47 2.122 1.390 -13.745 1.00 0.00 H new ATOM 708 N ARG A 48 4.432 -0.146 -10.671 1.00 0.00 N ATOM 709 CA ARG A 48 5.403 0.538 -9.776 1.00 0.00 C ATOM 710 C ARG A 48 5.238 2.074 -9.806 1.00 0.00 C ATOM 711 O ARG A 48 5.847 2.777 -8.996 1.00 0.00 O ATOM 712 CB ARG A 48 6.874 0.112 -10.081 1.00 0.00 C ATOM 713 CG ARG A 48 7.169 -1.390 -9.827 1.00 0.00 C ATOM 714 CD ARG A 48 8.672 -1.743 -9.850 1.00 0.00 C ATOM 715 NE ARG A 48 9.429 -0.986 -8.825 1.00 0.00 N ATOM 716 CZ ARG A 48 9.783 -1.444 -7.610 1.00 0.00 C ATOM 717 NH1 ARG A 48 9.382 -2.627 -7.176 1.00 0.00 N ATOM 718 NH2 ARG A 48 10.518 -0.683 -6.810 1.00 0.00 N ATOM 0 H ARG A 48 4.843 -0.498 -11.536 1.00 0.00 H new ATOM 0 HA ARG A 48 5.176 0.213 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.099 0.343 -11.122 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.548 0.711 -9.469 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.754 -1.674 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.654 -1.984 -10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.797 -2.812 -9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.081 -1.528 -10.837 1.00 0.00 H new ATOM 0 HE ARG A 48 9.706 -0.033 -9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.792 -3.213 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.663 -2.953 -6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.812 0.244 -7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.789 -1.025 -5.888 1.00 0.00 H new ATOM 732 N ASP A 49 4.413 2.580 -10.737 1.00 0.00 N ATOM 733 CA ASP A 49 3.848 3.936 -10.663 1.00 0.00 C ATOM 734 C ASP A 49 2.654 4.032 -11.609 1.00 0.00 C ATOM 735 O ASP A 49 2.805 4.281 -12.812 1.00 0.00 O ATOM 736 CB ASP A 49 4.873 5.075 -10.963 1.00 0.00 C ATOM 737 CG ASP A 49 4.238 6.493 -10.882 1.00 0.00 C ATOM 738 OD1 ASP A 49 3.379 6.742 -9.987 1.00 0.00 O ATOM 739 OD2 ASP A 49 4.583 7.364 -11.706 1.00 0.00 O ATOM 0 H ASP A 49 4.119 2.059 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 49 3.538 4.091 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.699 5.011 -10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.294 4.926 -11.957 1.00 0.00 H new ATOM 744 N SER A 50 1.464 3.773 -11.059 1.00 0.00 N ATOM 745 CA SER A 50 0.189 3.978 -11.760 1.00 0.00 C ATOM 746 C SER A 50 -0.533 5.223 -11.200 1.00 0.00 C ATOM 747 O SER A 50 -1.715 5.439 -11.498 1.00 0.00 O ATOM 748 CB SER A 50 -0.690 2.713 -11.620 1.00 0.00 C ATOM 749 OG SER A 50 -1.817 2.769 -12.481 1.00 0.00 O ATOM 0 H SER A 50 1.355 3.413 -10.111 1.00 0.00 H new ATOM 0 HA SER A 50 0.380 4.150 -12.819 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.097 1.828 -11.851 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.024 2.612 -10.587 1.00 0.00 H new ATOM 0 HG SER A 50 -2.340 1.945 -12.389 1.00 0.00 H new ATOM 755 N ARG A 51 0.215 6.053 -10.424 1.00 0.00 N ATOM 756 CA ARG A 51 -0.318 7.229 -9.706 1.00 0.00 C ATOM 757 C ARG A 51 -1.401 6.831 -8.681 1.00 0.00 C ATOM 758 O ARG A 51 -2.556 6.550 -9.042 1.00 0.00 O ATOM 759 CB ARG A 51 -0.848 8.326 -10.685 1.00 0.00 C ATOM 760 CG ARG A 51 0.243 9.209 -11.327 1.00 0.00 C ATOM 761 CD ARG A 51 1.045 10.003 -10.278 1.00 0.00 C ATOM 762 NE ARG A 51 1.866 11.055 -10.898 1.00 0.00 N ATOM 763 CZ ARG A 51 3.201 11.058 -10.972 1.00 0.00 C ATOM 764 NH1 ARG A 51 3.910 10.009 -10.569 1.00 0.00 N ATOM 765 NH2 ARG A 51 3.823 12.105 -11.487 1.00 0.00 N ATOM 0 H ARG A 51 1.216 5.917 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 51 0.517 7.661 -9.155 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.415 7.840 -11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.543 8.969 -10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.923 8.581 -11.902 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.220 9.903 -12.028 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.359 10.453 -9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.688 9.322 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 51 1.375 11.850 -11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.436 9.186 -10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.928 10.027 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.285 12.903 -11.824 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.841 12.115 -11.547 1.00 0.00 H new ATOM 779 N MET A 52 -1.021 6.842 -7.385 1.00 0.00 N ATOM 780 CA MET A 52 -1.948 6.533 -6.278 1.00 0.00 C ATOM 781 C MET A 52 -2.932 7.688 -6.012 1.00 0.00 C ATOM 782 O MET A 52 -3.810 7.553 -5.168 1.00 0.00 O ATOM 783 CB MET A 52 -1.170 6.157 -4.986 1.00 0.00 C ATOM 784 CG MET A 52 -0.323 4.882 -5.120 1.00 0.00 C ATOM 785 SD MET A 52 0.448 4.374 -3.570 1.00 0.00 S ATOM 786 CE MET A 52 1.497 5.778 -3.192 1.00 0.00 C ATOM 0 H MET A 52 -0.073 7.063 -7.080 1.00 0.00 H new ATOM 0 HA MET A 52 -2.538 5.669 -6.584 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.519 6.987 -4.711 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.881 6.025 -4.170 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.953 4.072 -5.487 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.453 5.046 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.146 5.531 -2.352 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.107 6.021 -4.062 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.877 6.636 -2.932 1.00 0.00 H new ATOM 796 N GLU A 53 -2.795 8.802 -6.761 1.00 0.00 N ATOM 797 CA GLU A 53 -3.756 9.929 -6.720 1.00 0.00 C ATOM 798 C GLU A 53 -5.174 9.465 -7.156 1.00 0.00 C ATOM 799 O GLU A 53 -6.188 9.998 -6.694 1.00 0.00 O ATOM 800 CB GLU A 53 -3.272 11.094 -7.616 1.00 0.00 C ATOM 801 CG GLU A 53 -3.234 10.762 -9.120 1.00 0.00 C ATOM 802 CD GLU A 53 -2.879 11.961 -10.000 1.00 0.00 C ATOM 803 OE1 GLU A 53 -3.742 12.845 -10.180 1.00 0.00 O ATOM 804 OE2 GLU A 53 -1.759 12.017 -10.534 1.00 0.00 O ATOM 0 H GLU A 53 -2.020 8.947 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.813 10.284 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.926 11.952 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.274 11.393 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.507 9.968 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.206 10.374 -9.423 1.00 0.00 H new ATOM 811 N ASP A 54 -5.210 8.472 -8.060 1.00 0.00 N ATOM 812 CA ASP A 54 -6.450 7.808 -8.498 1.00 0.00 C ATOM 813 C ASP A 54 -6.779 6.644 -7.561 1.00 0.00 C ATOM 814 O ASP A 54 -7.944 6.409 -7.217 1.00 0.00 O ATOM 815 CB ASP A 54 -6.297 7.279 -9.949 1.00 0.00 C ATOM 816 CG ASP A 54 -6.043 8.399 -10.969 1.00 0.00 C ATOM 817 OD1 ASP A 54 -7.015 9.073 -11.378 1.00 0.00 O ATOM 818 OD2 ASP A 54 -4.874 8.616 -11.364 1.00 0.00 O ATOM 0 H ASP A 54 -4.373 8.104 -8.511 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.261 8.536 -8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.473 6.567 -9.986 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.200 6.736 -10.230 1.00 0.00 H new ATOM 823 N LEU A 55 -5.719 5.926 -7.156 1.00 0.00 N ATOM 824 CA LEU A 55 -5.835 4.673 -6.398 1.00 0.00 C ATOM 825 C LEU A 55 -6.050 4.961 -4.895 1.00 0.00 C ATOM 826 O LEU A 55 -7.189 5.075 -4.441 1.00 0.00 O ATOM 827 CB LEU A 55 -4.569 3.798 -6.634 1.00 0.00 C ATOM 828 CG LEU A 55 -4.130 3.621 -8.124 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.769 2.889 -8.228 1.00 0.00 C ATOM 830 CD2 LEU A 55 -5.232 2.917 -8.958 1.00 0.00 C ATOM 0 H LEU A 55 -4.755 6.200 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.706 4.121 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.739 4.237 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.749 2.811 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.992 4.615 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.493 2.782 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.005 3.467 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.851 1.902 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.895 2.809 -9.989 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.433 1.932 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.143 3.514 -8.935 1.00 0.00 H new ATOM 842 N ALA A 56 -4.949 5.141 -4.141 1.00 0.00 N ATOM 843 CA ALA A 56 -4.985 5.320 -2.681 1.00 0.00 C ATOM 844 C ALA A 56 -4.748 6.792 -2.322 1.00 0.00 C ATOM 845 O ALA A 56 -3.629 7.203 -1.995 1.00 0.00 O ATOM 846 CB ALA A 56 -3.965 4.386 -2.010 1.00 0.00 C ATOM 0 H ALA A 56 -4.007 5.166 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.972 5.050 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.999 4.526 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.207 3.351 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.964 4.618 -2.374 1.00 0.00 H new ATOM 852 N PHE A 57 -5.823 7.588 -2.440 1.00 0.00 N ATOM 853 CA PHE A 57 -5.789 9.042 -2.185 1.00 0.00 C ATOM 854 C PHE A 57 -7.111 9.518 -1.556 1.00 0.00 C ATOM 855 O PHE A 57 -7.217 10.661 -1.106 1.00 0.00 O ATOM 856 CB PHE A 57 -5.484 9.802 -3.504 1.00 0.00 C ATOM 857 CG PHE A 57 -5.160 11.294 -3.352 1.00 0.00 C ATOM 858 CD1 PHE A 57 -3.960 11.702 -2.770 1.00 0.00 C ATOM 859 CD2 PHE A 57 -6.048 12.283 -3.791 1.00 0.00 C ATOM 860 CE1 PHE A 57 -3.660 13.044 -2.625 1.00 0.00 C ATOM 861 CE2 PHE A 57 -5.744 13.623 -3.644 1.00 0.00 C ATOM 862 CZ PHE A 57 -4.551 14.005 -3.062 1.00 0.00 C ATOM 0 H PHE A 57 -6.743 7.243 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.993 9.258 -1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.643 9.315 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.343 9.701 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.255 10.959 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.982 11.995 -4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.727 13.341 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.441 14.374 -3.985 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.315 15.053 -2.949 1.00 0.00 H new ATOM 872 N ASP A 58 -8.131 8.644 -1.552 1.00 0.00 N ATOM 873 CA ASP A 58 -9.386 8.886 -0.819 1.00 0.00 C ATOM 874 C ASP A 58 -9.207 8.422 0.633 1.00 0.00 C ATOM 875 O ASP A 58 -8.489 7.456 0.871 1.00 0.00 O ATOM 876 CB ASP A 58 -10.560 8.145 -1.499 1.00 0.00 C ATOM 877 CG ASP A 58 -11.892 8.293 -0.742 1.00 0.00 C ATOM 878 OD1 ASP A 58 -12.557 9.338 -0.893 1.00 0.00 O ATOM 879 OD2 ASP A 58 -12.263 7.384 0.031 1.00 0.00 O ATOM 0 H ASP A 58 -8.110 7.756 -2.053 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.621 9.950 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.682 8.525 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.313 7.087 -1.583 1.00 0.00 H new ATOM 884 N SER A 59 -9.887 9.099 1.577 1.00 0.00 N ATOM 885 CA SER A 59 -9.750 8.861 3.032 1.00 0.00 C ATOM 886 C SER A 59 -9.972 7.381 3.416 1.00 0.00 C ATOM 887 O SER A 59 -9.243 6.830 4.251 1.00 0.00 O ATOM 888 CB SER A 59 -10.755 9.760 3.777 1.00 0.00 C ATOM 889 OG SER A 59 -10.598 11.118 3.400 1.00 0.00 O ATOM 0 H SER A 59 -10.555 9.836 1.352 1.00 0.00 H new ATOM 0 HA SER A 59 -8.728 9.107 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.772 9.433 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.611 9.658 4.853 1.00 0.00 H new ATOM 0 HG SER A 59 -11.248 11.669 3.884 1.00 0.00 H new ATOM 895 N LEU A 60 -10.966 6.747 2.771 1.00 0.00 N ATOM 896 CA LEU A 60 -11.326 5.345 3.031 1.00 0.00 C ATOM 897 C LEU A 60 -10.284 4.393 2.418 1.00 0.00 C ATOM 898 O LEU A 60 -9.932 3.386 3.025 1.00 0.00 O ATOM 899 CB LEU A 60 -12.748 5.009 2.488 1.00 0.00 C ATOM 900 CG LEU A 60 -13.962 5.675 3.233 1.00 0.00 C ATOM 901 CD1 LEU A 60 -14.040 7.203 3.007 1.00 0.00 C ATOM 902 CD2 LEU A 60 -15.298 4.994 2.852 1.00 0.00 C ATOM 0 H LEU A 60 -11.541 7.192 2.056 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.337 5.206 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.790 5.302 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.879 3.927 2.522 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.788 5.522 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.897 7.607 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.127 7.672 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.151 7.408 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.117 5.478 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.459 5.084 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.260 3.940 3.126 1.00 0.00 H new ATOM 914 N VAL A 61 -9.785 4.733 1.213 1.00 0.00 N ATOM 915 CA VAL A 61 -8.822 3.867 0.485 1.00 0.00 C ATOM 916 C VAL A 61 -7.441 3.872 1.177 1.00 0.00 C ATOM 917 O VAL A 61 -6.774 2.840 1.234 1.00 0.00 O ATOM 918 CB VAL A 61 -8.663 4.269 -1.031 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.795 3.234 -1.797 1.00 0.00 C ATOM 920 CG2 VAL A 61 -10.045 4.431 -1.703 1.00 0.00 C ATOM 0 H VAL A 61 -10.027 5.594 0.722 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.237 2.860 0.513 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.150 5.230 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.703 3.537 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.805 3.184 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.268 2.253 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.911 4.709 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.591 3.489 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.610 5.210 -1.190 1.00 0.00 H new ATOM 930 N VAL A 62 -7.040 5.046 1.706 1.00 0.00 N ATOM 931 CA VAL A 62 -5.796 5.207 2.497 1.00 0.00 C ATOM 932 C VAL A 62 -5.931 4.473 3.850 1.00 0.00 C ATOM 933 O VAL A 62 -4.957 3.916 4.356 1.00 0.00 O ATOM 934 CB VAL A 62 -5.444 6.733 2.732 1.00 0.00 C ATOM 935 CG1 VAL A 62 -4.173 6.908 3.610 1.00 0.00 C ATOM 936 CG2 VAL A 62 -5.277 7.480 1.382 1.00 0.00 C ATOM 0 H VAL A 62 -7.568 5.912 1.598 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.978 4.766 1.927 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.282 7.174 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.968 7.970 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.335 6.442 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.323 6.434 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.036 8.526 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.472 7.020 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.206 7.419 0.815 1.00 0.00 H new ATOM 946 N SER A 63 -7.161 4.461 4.407 1.00 0.00 N ATOM 947 CA SER A 63 -7.467 3.740 5.658 1.00 0.00 C ATOM 948 C SER A 63 -7.356 2.211 5.450 1.00 0.00 C ATOM 949 O SER A 63 -6.800 1.504 6.292 1.00 0.00 O ATOM 950 CB SER A 63 -8.876 4.122 6.167 1.00 0.00 C ATOM 951 OG SER A 63 -9.160 3.529 7.423 1.00 0.00 O ATOM 0 H SER A 63 -7.963 4.947 4.005 1.00 0.00 H new ATOM 0 HA SER A 63 -6.736 4.032 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.950 5.206 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.623 3.807 5.439 1.00 0.00 H new ATOM 0 HG SER A 63 -10.058 3.794 7.714 1.00 0.00 H new ATOM 957 N GLU A 64 -7.874 1.732 4.305 1.00 0.00 N ATOM 958 CA GLU A 64 -7.822 0.306 3.902 1.00 0.00 C ATOM 959 C GLU A 64 -6.423 -0.087 3.376 1.00 0.00 C ATOM 960 O GLU A 64 -6.069 -1.266 3.400 1.00 0.00 O ATOM 961 CB GLU A 64 -8.946 0.001 2.855 1.00 0.00 C ATOM 962 CG GLU A 64 -10.293 -0.479 3.460 1.00 0.00 C ATOM 963 CD GLU A 64 -10.902 0.460 4.526 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.661 1.379 4.169 1.00 0.00 O ATOM 965 OE2 GLU A 64 -10.644 0.265 5.737 1.00 0.00 O ATOM 0 H GLU A 64 -8.346 2.326 3.623 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.004 -0.308 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.129 0.901 2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.582 -0.761 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.014 -0.602 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.144 -1.462 3.906 1.00 0.00 H new ATOM 972 N LEU A 65 -5.648 0.909 2.906 1.00 0.00 N ATOM 973 CA LEU A 65 -4.238 0.720 2.499 1.00 0.00 C ATOM 974 C LEU A 65 -3.391 0.463 3.753 1.00 0.00 C ATOM 975 O LEU A 65 -2.649 -0.513 3.819 1.00 0.00 O ATOM 976 CB LEU A 65 -3.714 1.971 1.728 1.00 0.00 C ATOM 977 CG LEU A 65 -2.192 2.000 1.361 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.801 0.830 0.434 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.804 3.356 0.731 1.00 0.00 C ATOM 0 H LEU A 65 -5.979 1.868 2.797 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.165 -0.136 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.286 2.063 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.934 2.854 2.328 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.632 1.879 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.737 0.888 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.014 -0.116 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.376 0.890 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.742 3.352 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.387 3.516 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.009 4.158 1.440 1.00 0.00 H new ATOM 991 N SER A 66 -3.563 1.347 4.750 1.00 0.00 N ATOM 992 CA SER A 66 -2.886 1.272 6.059 1.00 0.00 C ATOM 993 C SER A 66 -3.256 -0.033 6.792 1.00 0.00 C ATOM 994 O SER A 66 -2.399 -0.684 7.390 1.00 0.00 O ATOM 995 CB SER A 66 -3.282 2.497 6.918 1.00 0.00 C ATOM 996 OG SER A 66 -2.664 2.463 8.191 1.00 0.00 O ATOM 0 H SER A 66 -4.188 2.149 4.669 1.00 0.00 H new ATOM 0 HA SER A 66 -1.808 1.277 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.998 3.413 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.365 2.522 7.039 1.00 0.00 H new ATOM 0 HG SER A 66 -2.706 3.353 8.599 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.552 -0.380 6.715 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.118 -1.624 7.266 1.00 0.00 C ATOM 1004 C LEU A 67 -4.419 -2.856 6.660 1.00 0.00 C ATOM 1005 O LEU A 67 -3.978 -3.742 7.388 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.651 -1.661 6.979 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.422 -2.983 7.301 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.321 -3.363 8.796 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.900 -2.875 6.848 1.00 0.00 C ATOM 0 H LEU A 67 -5.250 0.208 6.259 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.954 -1.648 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.117 -0.855 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.799 -1.436 5.923 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.947 -3.787 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.871 -4.287 8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.274 -3.506 9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.747 -2.565 9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.421 -3.804 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.381 -2.049 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.939 -2.696 5.774 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.307 -2.861 5.322 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.768 -3.991 4.540 1.00 0.00 C ATOM 1023 C LYS A 68 -2.253 -4.173 4.797 1.00 0.00 C ATOM 1024 O LYS A 68 -1.763 -5.303 4.926 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.048 -3.763 3.015 1.00 0.00 C ATOM 1026 CG LYS A 68 -4.714 -4.946 2.282 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.142 -5.234 2.789 1.00 0.00 C ATOM 1028 CE LYS A 68 -6.795 -6.420 2.059 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.202 -6.628 2.489 1.00 0.00 N ATOM 0 H LYS A 68 -4.591 -2.071 4.743 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.269 -4.905 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.685 -2.885 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.104 -3.535 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.749 -4.733 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.101 -5.838 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.110 -5.442 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.758 -4.345 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.766 -6.245 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.219 -7.326 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.606 -7.436 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.228 -6.820 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.758 -5.773 2.283 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.532 -3.037 4.873 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.081 -3.010 5.133 1.00 0.00 C ATOM 1045 C LEU A 69 0.226 -3.544 6.542 1.00 0.00 C ATOM 1046 O LEU A 69 1.168 -4.309 6.729 1.00 0.00 O ATOM 1047 CB LEU A 69 0.491 -1.575 4.939 1.00 0.00 C ATOM 1048 CG LEU A 69 0.475 -1.021 3.472 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.011 0.432 3.403 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.247 -1.953 2.502 1.00 0.00 C ATOM 0 H LEU A 69 -1.942 -2.110 4.755 1.00 0.00 H new ATOM 0 HA LEU A 69 0.409 -3.663 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.076 -0.891 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.520 -1.564 5.299 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.566 -1.000 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.984 0.781 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.389 1.079 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.037 0.459 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.215 -1.537 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.284 -2.037 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.786 -2.941 2.502 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.608 -3.138 7.508 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.505 -3.573 8.913 1.00 0.00 C ATOM 1064 C ARG A 70 -0.905 -5.058 9.067 1.00 0.00 C ATOM 1065 O ARG A 70 -0.335 -5.777 9.891 1.00 0.00 O ATOM 1066 CB ARG A 70 -1.409 -2.672 9.801 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.482 -3.070 11.292 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.405 -2.152 12.108 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.517 -2.597 13.508 1.00 0.00 N ATOM 1070 CZ ARG A 70 -3.617 -2.500 14.274 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -4.731 -1.949 13.799 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -3.601 -2.967 15.511 1.00 0.00 N ATOM 0 H ARG A 70 -1.380 -2.493 7.338 1.00 0.00 H new ATOM 0 HA ARG A 70 0.532 -3.475 9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.048 -1.646 9.734 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.418 -2.682 9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.836 -4.098 11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.480 -3.044 11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.021 -1.132 12.080 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.395 -2.133 11.652 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.689 -3.014 13.932 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.757 -1.594 12.843 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.559 -1.881 14.391 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.755 -3.400 15.882 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.435 -2.895 16.094 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.886 -5.504 8.258 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.497 -6.840 8.398 1.00 0.00 C ATOM 1088 C LYS A 71 -1.586 -7.942 7.814 1.00 0.00 C ATOM 1089 O LYS A 71 -1.132 -8.832 8.545 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.908 -6.861 7.740 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.765 -8.109 8.059 1.00 0.00 C ATOM 1092 CD LYS A 71 -5.022 -8.288 9.572 1.00 0.00 C ATOM 1093 CE LYS A 71 -5.897 -9.514 9.887 1.00 0.00 C ATOM 1094 NZ LYS A 71 -6.060 -9.704 11.348 1.00 0.00 N ATOM 0 H LYS A 71 -2.275 -4.952 7.494 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.613 -7.052 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.454 -5.974 8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.788 -6.789 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.720 -8.031 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.264 -8.997 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.067 -8.386 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.505 -7.392 9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.876 -9.392 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.446 -10.406 9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.655 -10.538 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.127 -9.844 11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.512 -8.863 11.759 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.329 -7.877 6.502 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.519 -8.889 5.791 1.00 0.00 C ATOM 1110 C GLU A 72 0.983 -8.748 6.109 1.00 0.00 C ATOM 1111 O GLU A 72 1.646 -9.726 6.481 1.00 0.00 O ATOM 1112 CB GLU A 72 -0.757 -8.796 4.251 1.00 0.00 C ATOM 1113 CG GLU A 72 -2.059 -9.448 3.736 1.00 0.00 C ATOM 1114 CD GLU A 72 -3.354 -8.870 4.339 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.713 -7.723 4.014 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -4.014 -9.566 5.142 1.00 0.00 O ATOM 0 H GLU A 72 -1.672 -7.128 5.901 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.840 -9.870 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.761 -7.744 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.087 -9.262 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.099 -9.339 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.022 -10.517 3.948 1.00 0.00 H new ATOM 1123 N PHE A 73 1.500 -7.519 5.964 1.00 0.00 N ATOM 1124 CA PHE A 73 2.955 -7.243 5.979 1.00 0.00 C ATOM 1125 C PHE A 73 3.455 -6.902 7.395 1.00 0.00 C ATOM 1126 O PHE A 73 4.610 -7.181 7.735 1.00 0.00 O ATOM 1127 CB PHE A 73 3.283 -6.071 5.014 1.00 0.00 C ATOM 1128 CG PHE A 73 2.684 -6.231 3.614 1.00 0.00 C ATOM 1129 CD1 PHE A 73 1.389 -5.787 3.344 1.00 0.00 C ATOM 1130 CD2 PHE A 73 3.404 -6.826 2.584 1.00 0.00 C ATOM 1131 CE1 PHE A 73 0.836 -5.931 2.095 1.00 0.00 C ATOM 1132 CE2 PHE A 73 2.847 -6.970 1.332 1.00 0.00 C ATOM 1133 CZ PHE A 73 1.562 -6.518 1.087 1.00 0.00 C ATOM 0 H PHE A 73 0.927 -6.685 5.833 1.00 0.00 H new ATOM 0 HA PHE A 73 3.466 -8.147 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.917 -5.141 5.450 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.365 -5.978 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.812 -5.323 4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.408 -7.178 2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.169 -5.583 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.414 -7.437 0.540 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.130 -6.627 0.103 1.00 0.00 H new ATOM 1143 N GLY A 74 2.575 -6.284 8.204 1.00 0.00 N ATOM 1144 CA GLY A 74 2.953 -5.772 9.527 1.00 0.00 C ATOM 1145 C GLY A 74 3.518 -4.355 9.472 1.00 0.00 C ATOM 1146 O GLY A 74 3.969 -3.822 10.491 1.00 0.00 O ATOM 0 H GLY A 74 1.597 -6.129 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.080 -5.785 10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.694 -6.437 9.971 1.00 0.00 H new ATOM 1150 N VAL A 75 3.477 -3.745 8.274 1.00 0.00 N ATOM 1151 CA VAL A 75 3.975 -2.385 8.027 1.00 0.00 C ATOM 1152 C VAL A 75 2.953 -1.350 8.565 1.00 0.00 C ATOM 1153 O VAL A 75 2.017 -0.926 7.871 1.00 0.00 O ATOM 1154 CB VAL A 75 4.288 -2.193 6.488 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.751 -0.762 6.149 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.345 -3.228 6.027 1.00 0.00 C ATOM 0 H VAL A 75 3.092 -4.191 7.441 1.00 0.00 H new ATOM 0 HA VAL A 75 4.911 -2.225 8.562 1.00 0.00 H new ATOM 0 HB VAL A 75 3.356 -2.358 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.952 -0.688 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.970 -0.053 6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.660 -0.532 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.553 -3.087 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.263 -3.090 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.963 -4.236 6.191 1.00 0.00 H new ATOM 1166 N THR A 76 3.126 -1.031 9.855 1.00 0.00 N ATOM 1167 CA THR A 76 2.266 -0.116 10.624 1.00 0.00 C ATOM 1168 C THR A 76 2.951 1.266 10.756 1.00 0.00 C ATOM 1169 O THR A 76 4.168 1.381 10.536 1.00 0.00 O ATOM 1170 CB THR A 76 2.004 -0.741 12.048 1.00 0.00 C ATOM 1171 OG1 THR A 76 1.627 -2.124 11.904 1.00 0.00 O ATOM 1172 CG2 THR A 76 0.900 -0.006 12.835 1.00 0.00 C ATOM 0 H THR A 76 3.891 -1.413 10.411 1.00 0.00 H new ATOM 0 HA THR A 76 1.315 0.022 10.109 1.00 0.00 H new ATOM 0 HB THR A 76 2.932 -0.641 12.611 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.466 -2.513 12.789 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.766 -0.483 13.806 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.188 1.035 12.979 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.035 -0.050 12.277 1.00 0.00 H new ATOM 1180 N GLY A 77 2.152 2.304 11.096 1.00 0.00 N ATOM 1181 CA GLY A 77 2.662 3.649 11.371 1.00 0.00 C ATOM 1182 C GLY A 77 3.250 4.328 10.141 1.00 0.00 C ATOM 1183 O GLY A 77 4.270 5.020 10.228 1.00 0.00 O ATOM 0 H GLY A 77 1.139 2.223 11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.853 4.264 11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.426 3.590 12.146 1.00 0.00 H new ATOM 1187 N VAL A 78 2.592 4.117 8.992 1.00 0.00 N ATOM 1188 CA VAL A 78 3.023 4.654 7.681 1.00 0.00 C ATOM 1189 C VAL A 78 2.024 5.681 7.141 1.00 0.00 C ATOM 1190 O VAL A 78 2.213 6.191 6.049 1.00 0.00 O ATOM 1191 CB VAL A 78 3.211 3.491 6.636 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.418 2.612 7.011 1.00 0.00 C ATOM 1193 CG2 VAL A 78 1.917 2.640 6.490 1.00 0.00 C ATOM 0 H VAL A 78 1.736 3.564 8.940 1.00 0.00 H new ATOM 0 HA VAL A 78 3.980 5.154 7.833 1.00 0.00 H new ATOM 0 HB VAL A 78 3.411 3.944 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.530 1.815 6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.322 3.222 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.258 2.176 7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.083 1.847 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.661 2.199 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.099 3.277 6.153 1.00 0.00 H new ATOM 1203 N ASP A 79 1.010 6.010 7.949 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.167 6.814 7.546 1.00 0.00 C ATOM 1205 C ASP A 79 0.220 8.202 6.994 1.00 0.00 C ATOM 1206 O ASP A 79 -0.285 8.633 5.942 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.114 6.973 8.764 1.00 0.00 C ATOM 1208 CG ASP A 79 -1.623 5.622 9.300 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -0.822 4.869 9.918 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -2.814 5.307 9.113 1.00 0.00 O ATOM 0 H ASP A 79 0.977 5.721 8.927 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.670 6.283 6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.590 7.501 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.966 7.591 8.479 1.00 0.00 H new ATOM 1215 N ASP A 80 1.130 8.879 7.718 1.00 0.00 N ATOM 1216 CA ASP A 80 1.637 10.218 7.337 1.00 0.00 C ATOM 1217 C ASP A 80 2.433 10.138 6.031 1.00 0.00 C ATOM 1218 O ASP A 80 2.343 11.018 5.179 1.00 0.00 O ATOM 1219 CB ASP A 80 2.528 10.809 8.462 1.00 0.00 C ATOM 1220 CG ASP A 80 2.963 12.262 8.190 1.00 0.00 C ATOM 1221 OD1 ASP A 80 2.108 13.171 8.310 1.00 0.00 O ATOM 1222 OD2 ASP A 80 4.149 12.516 7.890 1.00 0.00 O ATOM 0 H ASP A 80 1.536 8.518 8.581 1.00 0.00 H new ATOM 0 HA ASP A 80 0.779 10.874 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.984 10.770 9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.415 10.187 8.579 1.00 0.00 H new ATOM 1227 N GLU A 81 3.183 9.039 5.895 1.00 0.00 N ATOM 1228 CA GLU A 81 4.018 8.753 4.725 1.00 0.00 C ATOM 1229 C GLU A 81 3.126 8.520 3.501 1.00 0.00 C ATOM 1230 O GLU A 81 3.426 9.034 2.444 1.00 0.00 O ATOM 1231 CB GLU A 81 4.945 7.529 4.985 1.00 0.00 C ATOM 1232 CG GLU A 81 6.087 7.764 6.009 1.00 0.00 C ATOM 1233 CD GLU A 81 5.622 8.266 7.399 1.00 0.00 C ATOM 1234 OE1 GLU A 81 4.804 7.577 8.047 1.00 0.00 O ATOM 1235 OE2 GLU A 81 6.078 9.335 7.852 1.00 0.00 O ATOM 0 H GLU A 81 3.227 8.311 6.608 1.00 0.00 H new ATOM 0 HA GLU A 81 4.661 9.612 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.332 6.698 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.387 7.222 4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.636 6.831 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.786 8.489 5.592 1.00 0.00 H new ATOM 1242 N LEU A 82 1.994 7.803 3.691 1.00 0.00 N ATOM 1243 CA LEU A 82 1.016 7.511 2.612 1.00 0.00 C ATOM 1244 C LEU A 82 0.458 8.824 2.034 1.00 0.00 C ATOM 1245 O LEU A 82 0.241 8.943 0.828 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.151 6.624 3.138 1.00 0.00 C ATOM 1247 CG LEU A 82 0.252 5.247 3.760 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.980 4.471 4.285 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.083 4.400 2.774 1.00 0.00 C ATOM 0 H LEU A 82 1.731 7.410 4.595 1.00 0.00 H new ATOM 0 HA LEU A 82 1.534 6.963 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.700 7.191 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.839 6.439 2.313 1.00 0.00 H new ATOM 0 HG LEU A 82 0.887 5.456 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.657 3.520 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.481 5.060 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.671 4.286 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.345 3.450 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.499 4.213 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.994 4.938 2.510 1.00 0.00 H new ATOM 1261 N ASP A 83 0.261 9.804 2.936 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.150 11.174 2.581 1.00 0.00 C ATOM 1263 C ASP A 83 0.961 11.899 1.784 1.00 0.00 C ATOM 1264 O ASP A 83 0.672 12.649 0.849 1.00 0.00 O ATOM 1265 CB ASP A 83 -0.504 11.965 3.872 1.00 0.00 C ATOM 1266 CG ASP A 83 -0.816 13.454 3.631 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -1.897 13.767 3.095 1.00 0.00 O ATOM 1268 OD2 ASP A 83 0.017 14.321 3.982 1.00 0.00 O ATOM 0 H ASP A 83 0.384 9.665 3.939 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.032 11.119 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.366 11.497 4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.328 11.888 4.572 1.00 0.00 H new ATOM 1273 N LEU A 84 2.226 11.666 2.176 1.00 0.00 N ATOM 1274 CA LEU A 84 3.407 12.264 1.509 1.00 0.00 C ATOM 1275 C LEU A 84 3.706 11.580 0.150 1.00 0.00 C ATOM 1276 O LEU A 84 4.382 12.164 -0.709 1.00 0.00 O ATOM 1277 CB LEU A 84 4.658 12.188 2.439 1.00 0.00 C ATOM 1278 CG LEU A 84 4.556 12.941 3.809 1.00 0.00 C ATOM 1279 CD1 LEU A 84 5.838 12.756 4.657 1.00 0.00 C ATOM 1280 CD2 LEU A 84 4.225 14.443 3.607 1.00 0.00 C ATOM 0 H LEU A 84 2.463 11.060 2.962 1.00 0.00 H new ATOM 0 HA LEU A 84 3.175 13.310 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.870 11.138 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.514 12.586 1.894 1.00 0.00 H new ATOM 0 HG LEU A 84 3.731 12.494 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.731 13.292 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.992 11.696 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.695 13.150 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.162 14.935 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.009 14.912 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.271 14.539 3.089 1.00 0.00 H new ATOM 1292 N LEU A 85 3.197 10.342 -0.037 1.00 0.00 N ATOM 1293 CA LEU A 85 3.455 9.528 -1.246 1.00 0.00 C ATOM 1294 C LEU A 85 2.496 9.882 -2.397 1.00 0.00 C ATOM 1295 O LEU A 85 1.379 10.364 -2.182 1.00 0.00 O ATOM 1296 CB LEU A 85 3.348 8.007 -0.934 1.00 0.00 C ATOM 1297 CG LEU A 85 4.404 7.421 0.055 1.00 0.00 C ATOM 1298 CD1 LEU A 85 4.146 5.929 0.328 1.00 0.00 C ATOM 1299 CD2 LEU A 85 5.849 7.678 -0.422 1.00 0.00 C ATOM 0 H LEU A 85 2.596 9.879 0.645 1.00 0.00 H new ATOM 0 HA LEU A 85 4.472 9.760 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.356 7.811 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.421 7.460 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 85 4.290 7.950 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.898 5.550 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.155 5.805 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.202 5.373 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.550 7.253 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.999 7.211 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.020 8.751 -0.504 1.00 0.00 H new ATOM 1311 N GLU A 86 2.980 9.625 -3.616 1.00 0.00 N ATOM 1312 CA GLU A 86 2.226 9.778 -4.885 1.00 0.00 C ATOM 1313 C GLU A 86 2.499 8.549 -5.792 1.00 0.00 C ATOM 1314 O GLU A 86 1.608 8.048 -6.491 1.00 0.00 O ATOM 1315 CB GLU A 86 2.663 11.089 -5.605 1.00 0.00 C ATOM 1316 CG GLU A 86 4.188 11.186 -5.854 1.00 0.00 C ATOM 1317 CD GLU A 86 4.607 12.358 -6.748 1.00 0.00 C ATOM 1318 OE1 GLU A 86 4.386 12.280 -7.975 1.00 0.00 O ATOM 1319 OE2 GLU A 86 5.170 13.345 -6.234 1.00 0.00 O ATOM 0 H GLU A 86 3.934 9.295 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 86 1.158 9.838 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.143 11.158 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.347 11.944 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.696 11.277 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.530 10.257 -6.309 1.00 0.00 H new ATOM 1326 N THR A 87 3.761 8.086 -5.743 1.00 0.00 N ATOM 1327 CA THR A 87 4.316 7.029 -6.590 1.00 0.00 C ATOM 1328 C THR A 87 4.407 5.703 -5.810 1.00 0.00 C ATOM 1329 O THR A 87 4.727 5.685 -4.603 1.00 0.00 O ATOM 1330 CB THR A 87 5.730 7.484 -7.082 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.458 8.035 -5.973 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.658 8.554 -8.185 1.00 0.00 C ATOM 0 H THR A 87 4.445 8.457 -5.084 1.00 0.00 H new ATOM 0 HA THR A 87 3.666 6.859 -7.448 1.00 0.00 H new ATOM 0 HB THR A 87 6.225 6.605 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.324 7.583 -5.893 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.667 8.832 -8.488 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.118 8.155 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.138 9.433 -7.805 1.00 0.00 H new ATOM 1340 N VAL A 88 4.146 4.586 -6.514 1.00 0.00 N ATOM 1341 CA VAL A 88 4.049 3.259 -5.883 1.00 0.00 C ATOM 1342 C VAL A 88 5.449 2.685 -5.573 1.00 0.00 C ATOM 1343 O VAL A 88 5.585 1.875 -4.670 1.00 0.00 O ATOM 1344 CB VAL A 88 3.237 2.241 -6.774 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.901 0.943 -5.993 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.958 2.885 -7.365 1.00 0.00 C ATOM 0 H VAL A 88 3.998 4.578 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 88 3.508 3.396 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 88 3.880 1.968 -7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.342 0.265 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.825 0.461 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.300 1.190 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.428 2.151 -7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.311 3.220 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.233 3.738 -7.986 1.00 0.00 H new ATOM 1356 N ASP A 89 6.483 3.116 -6.331 1.00 0.00 N ATOM 1357 CA ASP A 89 7.884 2.671 -6.116 1.00 0.00 C ATOM 1358 C ASP A 89 8.383 3.159 -4.743 1.00 0.00 C ATOM 1359 O ASP A 89 9.075 2.444 -4.017 1.00 0.00 O ATOM 1360 CB ASP A 89 8.805 3.198 -7.250 1.00 0.00 C ATOM 1361 CG ASP A 89 10.144 2.427 -7.377 1.00 0.00 C ATOM 1362 OD1 ASP A 89 10.927 2.374 -6.406 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.419 1.861 -8.457 1.00 0.00 O ATOM 0 H ASP A 89 6.375 3.775 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 89 7.914 1.582 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.270 3.137 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.019 4.252 -7.072 1.00 0.00 H new ATOM 1368 N GLU A 90 7.998 4.398 -4.414 1.00 0.00 N ATOM 1369 CA GLU A 90 8.245 5.016 -3.107 1.00 0.00 C ATOM 1370 C GLU A 90 7.469 4.276 -1.990 1.00 0.00 C ATOM 1371 O GLU A 90 7.973 4.134 -0.871 1.00 0.00 O ATOM 1372 CB GLU A 90 7.885 6.531 -3.170 1.00 0.00 C ATOM 1373 CG GLU A 90 8.983 7.466 -3.758 1.00 0.00 C ATOM 1374 CD GLU A 90 9.647 6.981 -5.068 1.00 0.00 C ATOM 1375 OE1 GLU A 90 8.935 6.632 -6.033 1.00 0.00 O ATOM 1376 OE2 GLU A 90 10.885 6.983 -5.142 1.00 0.00 O ATOM 0 H GLU A 90 7.498 5.009 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 90 9.303 4.930 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.980 6.645 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.647 6.871 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.541 8.446 -3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.761 7.600 -3.006 1.00 0.00 H new ATOM 1383 N LEU A 91 6.246 3.805 -2.315 1.00 0.00 N ATOM 1384 CA LEU A 91 5.452 2.930 -1.417 1.00 0.00 C ATOM 1385 C LEU A 91 6.132 1.543 -1.229 1.00 0.00 C ATOM 1386 O LEU A 91 6.088 0.968 -0.132 1.00 0.00 O ATOM 1387 CB LEU A 91 4.001 2.775 -1.961 1.00 0.00 C ATOM 1388 CG LEU A 91 3.043 1.824 -1.162 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.841 2.290 0.300 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.687 1.653 -1.887 1.00 0.00 C ATOM 0 H LEU A 91 5.782 4.016 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 91 5.405 3.402 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.545 3.764 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.060 2.413 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 91 3.528 0.849 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.170 1.600 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.803 2.309 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.407 3.290 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.046 0.988 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.204 2.625 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.854 1.225 -2.875 1.00 0.00 H new ATOM 1402 N PHE A 92 6.783 1.034 -2.299 1.00 0.00 N ATOM 1403 CA PHE A 92 7.498 -0.262 -2.274 1.00 0.00 C ATOM 1404 C PHE A 92 8.705 -0.191 -1.333 1.00 0.00 C ATOM 1405 O PHE A 92 8.841 -1.018 -0.437 1.00 0.00 O ATOM 1406 CB PHE A 92 7.946 -0.712 -3.705 1.00 0.00 C ATOM 1407 CG PHE A 92 6.821 -1.300 -4.565 1.00 0.00 C ATOM 1408 CD1 PHE A 92 6.055 -2.351 -4.081 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.538 -0.824 -5.848 1.00 0.00 C ATOM 1410 CE1 PHE A 92 5.039 -2.893 -4.835 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.521 -1.376 -6.596 1.00 0.00 C ATOM 1412 CZ PHE A 92 4.775 -2.413 -6.093 1.00 0.00 C ATOM 0 H PHE A 92 6.828 1.508 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 92 6.800 -1.011 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.374 0.145 -4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.738 -1.454 -3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.259 -2.750 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.123 -0.014 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.446 -3.701 -4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.310 -0.991 -7.583 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.984 -2.849 -6.685 1.00 0.00 H new ATOM 1422 N GLN A 93 9.555 0.829 -1.523 1.00 0.00 N ATOM 1423 CA GLN A 93 10.759 1.022 -0.697 1.00 0.00 C ATOM 1424 C GLN A 93 10.396 1.451 0.742 1.00 0.00 C ATOM 1425 O GLN A 93 11.225 1.325 1.633 1.00 0.00 O ATOM 1426 CB GLN A 93 11.759 2.005 -1.360 1.00 0.00 C ATOM 1427 CG GLN A 93 11.245 3.442 -1.543 1.00 0.00 C ATOM 1428 CD GLN A 93 12.284 4.398 -2.141 1.00 0.00 C ATOM 1429 OE1 GLN A 93 11.837 5.376 -2.907 1.00 0.00 O flip ATOM 1430 NE2 GLN A 93 13.489 4.246 -1.931 1.00 0.00 N flip ATOM 0 H GLN A 93 9.431 1.538 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 93 11.263 0.058 -0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.667 2.035 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.038 1.610 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.367 3.425 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.923 3.829 -0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.811 3.483 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.165 4.883 -2.353 1.00 0.00 H new ATOM 1439 N LEU A 94 9.156 1.956 0.954 1.00 0.00 N ATOM 1440 CA LEU A 94 8.619 2.235 2.308 1.00 0.00 C ATOM 1441 C LEU A 94 8.365 0.914 3.077 1.00 0.00 C ATOM 1442 O LEU A 94 8.763 0.768 4.243 1.00 0.00 O ATOM 1443 CB LEU A 94 7.306 3.063 2.220 1.00 0.00 C ATOM 1444 CG LEU A 94 6.623 3.427 3.583 1.00 0.00 C ATOM 1445 CD1 LEU A 94 7.530 4.329 4.463 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.238 4.073 3.358 1.00 0.00 C ATOM 0 H LEU A 94 8.506 2.179 0.200 1.00 0.00 H new ATOM 0 HA LEU A 94 9.362 2.819 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.520 3.989 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.590 2.506 1.616 1.00 0.00 H new ATOM 0 HG LEU A 94 6.473 2.495 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.018 4.557 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.463 3.808 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.746 5.256 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.788 4.315 4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.353 4.985 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.594 3.376 2.822 1.00 0.00 H new ATOM 1458 N VAL A 95 7.700 -0.040 2.401 1.00 0.00 N ATOM 1459 CA VAL A 95 7.432 -1.391 2.944 1.00 0.00 C ATOM 1460 C VAL A 95 8.759 -2.153 3.160 1.00 0.00 C ATOM 1461 O VAL A 95 8.939 -2.819 4.181 1.00 0.00 O ATOM 1462 CB VAL A 95 6.459 -2.185 1.986 1.00 0.00 C ATOM 1463 CG1 VAL A 95 6.279 -3.669 2.407 1.00 0.00 C ATOM 1464 CG2 VAL A 95 5.089 -1.465 1.910 1.00 0.00 C ATOM 0 H VAL A 95 7.331 0.101 1.461 1.00 0.00 H new ATOM 0 HA VAL A 95 6.940 -1.294 3.912 1.00 0.00 H new ATOM 0 HB VAL A 95 6.917 -2.199 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.600 -4.164 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.246 -4.172 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.864 -3.714 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.423 -2.018 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.649 -1.414 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.229 -0.456 1.523 1.00 0.00 H new ATOM 1474 N GLU A 96 9.683 -1.986 2.197 1.00 0.00 N ATOM 1475 CA GLU A 96 11.050 -2.544 2.242 1.00 0.00 C ATOM 1476 C GLU A 96 11.826 -1.990 3.458 1.00 0.00 C ATOM 1477 O GLU A 96 12.541 -2.726 4.134 1.00 0.00 O ATOM 1478 CB GLU A 96 11.792 -2.166 0.929 1.00 0.00 C ATOM 1479 CG GLU A 96 13.268 -2.610 0.842 1.00 0.00 C ATOM 1480 CD GLU A 96 14.015 -1.987 -0.353 1.00 0.00 C ATOM 1481 OE1 GLU A 96 14.402 -0.794 -0.268 1.00 0.00 O ATOM 1482 OE2 GLU A 96 14.209 -2.670 -1.380 1.00 0.00 O ATOM 0 H GLU A 96 9.499 -1.450 1.349 1.00 0.00 H new ATOM 0 HA GLU A 96 10.990 -3.628 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.251 -2.602 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.750 -1.084 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.779 -2.337 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.311 -3.696 0.764 1.00 0.00 H new ATOM 1489 N LYS A 97 11.642 -0.682 3.713 1.00 0.00 N ATOM 1490 CA LYS A 97 12.313 0.057 4.805 1.00 0.00 C ATOM 1491 C LYS A 97 11.874 -0.519 6.171 1.00 0.00 C ATOM 1492 O LYS A 97 12.696 -0.744 7.063 1.00 0.00 O ATOM 1493 CB LYS A 97 11.960 1.585 4.682 1.00 0.00 C ATOM 1494 CG LYS A 97 13.067 2.585 5.095 1.00 0.00 C ATOM 1495 CD LYS A 97 13.449 2.507 6.581 1.00 0.00 C ATOM 1496 CE LYS A 97 14.515 3.533 6.978 1.00 0.00 C ATOM 1497 NZ LYS A 97 14.895 3.388 8.410 1.00 0.00 N ATOM 0 H LYS A 97 11.015 -0.098 3.160 1.00 0.00 H new ATOM 0 HA LYS A 97 13.395 -0.055 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.684 1.789 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.078 1.782 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.955 2.400 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.733 3.597 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.558 2.663 7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.815 1.505 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.397 3.406 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.139 4.540 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.618 4.096 8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.057 3.533 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.276 2.434 8.573 1.00 0.00 H new ATOM 1511 N HIS A 98 10.556 -0.766 6.295 1.00 0.00 N ATOM 1512 CA HIS A 98 9.934 -1.269 7.539 1.00 0.00 C ATOM 1513 C HIS A 98 10.181 -2.769 7.753 1.00 0.00 C ATOM 1514 O HIS A 98 10.134 -3.251 8.897 1.00 0.00 O ATOM 1515 CB HIS A 98 8.408 -0.962 7.537 1.00 0.00 C ATOM 1516 CG HIS A 98 8.082 0.474 7.868 1.00 0.00 C ATOM 1517 ND1 HIS A 98 7.320 0.830 8.958 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.468 1.638 7.288 1.00 0.00 C ATOM 1519 CE1 HIS A 98 7.257 2.137 9.041 1.00 0.00 C ATOM 1520 NE2 HIS A 98 7.945 2.651 8.040 1.00 0.00 N ATOM 0 H HIS A 98 9.890 -0.623 5.536 1.00 0.00 H new ATOM 0 HA HIS A 98 10.407 -0.748 8.372 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.998 -1.202 6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 98 7.913 -1.614 8.257 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.074 1.744 6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.731 2.697 9.800 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.067 3.647 7.857 1.00 0.00 H new ATOM 1529 N ARG A 99 10.435 -3.499 6.654 1.00 0.00 N ATOM 1530 CA ARG A 99 10.626 -4.960 6.698 1.00 0.00 C ATOM 1531 C ARG A 99 12.102 -5.317 6.990 1.00 0.00 C ATOM 1532 O ARG A 99 12.383 -6.268 7.732 1.00 0.00 O ATOM 1533 CB ARG A 99 10.174 -5.597 5.358 1.00 0.00 C ATOM 1534 CG ARG A 99 10.061 -7.139 5.395 1.00 0.00 C ATOM 1535 CD ARG A 99 9.908 -7.770 4.002 1.00 0.00 C ATOM 1536 NE ARG A 99 11.063 -7.476 3.124 1.00 0.00 N ATOM 1537 CZ ARG A 99 12.294 -8.011 3.242 1.00 0.00 C ATOM 1538 NH1 ARG A 99 12.575 -8.901 4.187 1.00 0.00 N ATOM 1539 NH2 ARG A 99 13.244 -7.652 2.393 1.00 0.00 N ATOM 0 H ARG A 99 10.513 -3.099 5.719 1.00 0.00 H new ATOM 0 HA ARG A 99 10.014 -5.361 7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.207 -5.180 5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.881 -5.314 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.948 -7.550 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.205 -7.419 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.797 -8.850 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.996 -7.399 3.535 1.00 0.00 H new ATOM 0 HE ARG A 99 10.914 -6.811 2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.851 -9.194 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.515 -9.292 4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.041 -6.976 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.179 -8.052 2.475 1.00 0.00 H new ATOM 1553 N ALA A 100 13.028 -4.543 6.392 1.00 0.00 N ATOM 1554 CA ALA A 100 14.480 -4.752 6.539 1.00 0.00 C ATOM 1555 C ALA A 100 14.956 -4.189 7.887 1.00 0.00 C ATOM 1556 O ALA A 100 15.541 -4.912 8.696 1.00 0.00 O ATOM 1557 CB ALA A 100 15.235 -4.111 5.365 1.00 0.00 C ATOM 0 H ALA A 100 12.789 -3.754 5.792 1.00 0.00 H new ATOM 0 HA ALA A 100 14.692 -5.821 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.306 -4.274 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.905 -4.563 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.031 -3.040 5.343 1.00 0.00 H new ATOM 1563 N ALA A 101 14.690 -2.891 8.110 1.00 0.00 N ATOM 1564 CA ALA A 101 14.928 -2.235 9.404 1.00 0.00 C ATOM 1565 C ALA A 101 13.689 -2.428 10.285 1.00 0.00 C ATOM 1566 O ALA A 101 12.619 -1.893 9.966 1.00 0.00 O ATOM 1567 CB ALA A 101 15.264 -0.752 9.201 1.00 0.00 C ATOM 0 H ALA A 101 14.305 -2.269 7.399 1.00 0.00 H new ATOM 0 HA ALA A 101 15.786 -2.685 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.437 -0.282 10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.161 -0.663 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.433 -0.256 8.700 1.00 0.00 H new