USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18 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 68:sc= 1.68 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 154:sc= 0.726 (180deg=-0.974!) USER MOD Single : A 27 MET CE :methyl -123:sc= 0 (180deg=-0.128) USER MOD Single : A 30 HIS : no HE2:sc=-0.00313 K(o=-0.0031,f=-0.66) USER MOD Single : A 36 SER OG : rot 34:sc= 0.584 USER MOD Single : A 39 SER OG : rot 82:sc= -1.4! USER MOD Single : A 47 SER OG : rot 180:sc=-0.000924 USER MOD Single : A 50 SER OG : rot -45:sc= 0.545 USER MOD Single : A 52 MET CE :methyl 172:sc= -1.51 (180deg=-1.64) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -3:sc= -0.0228 USER MOD Single : A 66 SER OG : rot 89:sc=-0.00102 USER MOD Single : A 68 LYS NZ :NH3+ -106:sc= 0.576 (180deg=0.00125) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0102) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 93 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.053) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= -0.0796 (180deg=-0.323) USER MOD Single : A 98 HIS : +bothHN:sc= -0.657 K(o=-0.66,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 5.295 -10.010 -1.020 1.00 0.00 N ATOM 393 CA MET A 27 5.026 -8.674 -0.430 1.00 0.00 C ATOM 394 C MET A 27 4.665 -7.651 -1.522 1.00 0.00 C ATOM 395 O MET A 27 3.719 -6.890 -1.358 1.00 0.00 O ATOM 396 CB MET A 27 6.245 -8.160 0.396 1.00 0.00 C ATOM 397 CG MET A 27 5.935 -6.923 1.272 1.00 0.00 C ATOM 398 SD MET A 27 7.405 -6.198 2.041 1.00 0.00 S ATOM 399 CE MET A 27 8.226 -5.444 0.630 1.00 0.00 C ATOM 0 HA MET A 27 4.176 -8.784 0.244 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.602 -8.966 1.037 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.057 -7.913 -0.289 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.445 -6.167 0.659 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.229 -7.208 2.052 1.00 0.00 H new ATOM 0 HE1 MET A 27 9.236 -5.843 0.541 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.666 -5.667 -0.278 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.274 -4.364 0.771 1.00 0.00 H new ATOM 409 N GLU A 28 5.420 -7.661 -2.634 1.00 0.00 N ATOM 410 CA GLU A 28 5.332 -6.632 -3.707 1.00 0.00 C ATOM 411 C GLU A 28 4.059 -6.796 -4.565 1.00 0.00 C ATOM 412 O GLU A 28 3.218 -5.897 -4.620 1.00 0.00 O ATOM 413 CB GLU A 28 6.588 -6.712 -4.609 1.00 0.00 C ATOM 414 CG GLU A 28 7.922 -6.439 -3.887 1.00 0.00 C ATOM 415 CD GLU A 28 9.134 -6.687 -4.796 1.00 0.00 C ATOM 416 OE1 GLU A 28 9.522 -5.775 -5.557 1.00 0.00 O ATOM 417 OE2 GLU A 28 9.686 -7.812 -4.779 1.00 0.00 O ATOM 0 H GLU A 28 6.115 -8.383 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 28 5.279 -5.655 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.632 -7.703 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.479 -5.996 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.939 -5.407 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.994 -7.077 -3.006 1.00 0.00 H new ATOM 424 N ASP A 29 3.943 -7.949 -5.243 1.00 0.00 N ATOM 425 CA ASP A 29 2.762 -8.307 -6.056 1.00 0.00 C ATOM 426 C ASP A 29 1.521 -8.471 -5.160 1.00 0.00 C ATOM 427 O ASP A 29 0.393 -8.226 -5.591 1.00 0.00 O ATOM 428 CB ASP A 29 3.040 -9.614 -6.840 1.00 0.00 C ATOM 429 CG ASP A 29 1.877 -10.029 -7.752 1.00 0.00 C ATOM 430 OD1 ASP A 29 1.672 -9.382 -8.797 1.00 0.00 O ATOM 431 OD2 ASP A 29 1.130 -10.974 -7.414 1.00 0.00 O ATOM 0 H ASP A 29 4.669 -8.666 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 29 2.566 -7.504 -6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.938 -9.484 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.244 -10.418 -6.133 1.00 0.00 H new ATOM 436 N HIS A 30 1.762 -8.909 -3.914 1.00 0.00 N ATOM 437 CA HIS A 30 0.730 -9.018 -2.873 1.00 0.00 C ATOM 438 C HIS A 30 0.168 -7.610 -2.549 1.00 0.00 C ATOM 439 O HIS A 30 -1.041 -7.439 -2.387 1.00 0.00 O ATOM 440 CB HIS A 30 1.351 -9.694 -1.619 1.00 0.00 C ATOM 441 CG HIS A 30 0.383 -10.187 -0.560 1.00 0.00 C ATOM 442 ND1 HIS A 30 0.748 -11.107 0.399 1.00 0.00 N ATOM 443 CD2 HIS A 30 -0.920 -9.898 -0.306 1.00 0.00 C ATOM 444 CE1 HIS A 30 -0.277 -11.362 1.179 1.00 0.00 C ATOM 445 NE2 HIS A 30 -1.297 -10.641 0.776 1.00 0.00 N ATOM 0 H HIS A 30 2.688 -9.200 -3.599 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.101 -9.633 -3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.952 -10.541 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.033 -8.983 -1.152 1.00 0.00 H new ATOM 0 HD1 HIS A 30 1.674 -11.526 0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.542 -9.209 -0.857 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.280 -12.049 2.012 1.00 0.00 H new ATOM 454 N LEU A 31 1.079 -6.614 -2.483 1.00 0.00 N ATOM 455 CA LEU A 31 0.742 -5.192 -2.232 1.00 0.00 C ATOM 456 C LEU A 31 -0.055 -4.625 -3.414 1.00 0.00 C ATOM 457 O LEU A 31 -1.007 -3.871 -3.229 1.00 0.00 O ATOM 458 CB LEU A 31 2.052 -4.379 -2.006 1.00 0.00 C ATOM 459 CG LEU A 31 1.917 -2.889 -1.559 1.00 0.00 C ATOM 460 CD1 LEU A 31 1.225 -2.766 -0.180 1.00 0.00 C ATOM 461 CD2 LEU A 31 3.304 -2.200 -1.548 1.00 0.00 C ATOM 0 H LEU A 31 2.079 -6.775 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 31 0.124 -5.116 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.645 -4.901 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.623 -4.400 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 31 1.283 -2.379 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.149 -1.714 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.226 -3.200 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.811 -3.297 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.192 -1.162 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.963 -2.720 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.734 -2.232 -2.549 1.00 0.00 H new ATOM 473 N LEU A 32 0.353 -5.041 -4.625 1.00 0.00 N ATOM 474 CA LEU A 32 -0.284 -4.657 -5.898 1.00 0.00 C ATOM 475 C LEU A 32 -1.752 -5.153 -5.950 1.00 0.00 C ATOM 476 O LEU A 32 -2.644 -4.449 -6.439 1.00 0.00 O ATOM 477 CB LEU A 32 0.543 -5.260 -7.066 1.00 0.00 C ATOM 478 CG LEU A 32 0.189 -4.766 -8.502 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.535 -3.270 -8.680 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.883 -5.635 -9.578 1.00 0.00 C ATOM 0 H LEU A 32 1.150 -5.665 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.304 -3.571 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.596 -5.047 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.428 -6.344 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.888 -4.873 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.277 -2.955 -9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.030 -2.678 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.602 -3.121 -8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.618 -5.267 -10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.964 -5.581 -9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.557 -6.670 -9.476 1.00 0.00 H new ATOM 492 N THR A 33 -1.970 -6.377 -5.416 1.00 0.00 N ATOM 493 CA THR A 33 -3.301 -7.005 -5.301 1.00 0.00 C ATOM 494 C THR A 33 -4.187 -6.226 -4.307 1.00 0.00 C ATOM 495 O THR A 33 -5.371 -5.999 -4.562 1.00 0.00 O ATOM 496 CB THR A 33 -3.175 -8.504 -4.839 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.261 -9.204 -5.698 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.535 -9.242 -4.848 1.00 0.00 C ATOM 0 H THR A 33 -1.217 -6.960 -5.050 1.00 0.00 H new ATOM 0 HA THR A 33 -3.767 -6.980 -6.286 1.00 0.00 H new ATOM 0 HB THR A 33 -2.806 -8.491 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.355 -8.856 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.392 -10.272 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.226 -8.739 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.946 -9.235 -5.858 1.00 0.00 H new ATOM 506 N VAL A 34 -3.578 -5.820 -3.173 1.00 0.00 N ATOM 507 CA VAL A 34 -4.245 -5.026 -2.126 1.00 0.00 C ATOM 508 C VAL A 34 -4.789 -3.706 -2.702 1.00 0.00 C ATOM 509 O VAL A 34 -5.938 -3.346 -2.449 1.00 0.00 O ATOM 510 CB VAL A 34 -3.258 -4.756 -0.919 1.00 0.00 C ATOM 511 CG1 VAL A 34 -3.754 -3.621 0.006 1.00 0.00 C ATOM 512 CG2 VAL A 34 -3.010 -6.064 -0.119 1.00 0.00 C ATOM 0 H VAL A 34 -2.604 -6.036 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.092 -5.599 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.311 -4.420 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.041 -3.476 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.845 -2.698 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.726 -3.888 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.329 -5.861 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.957 -6.436 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.570 -6.814 -0.776 1.00 0.00 H new ATOM 522 N LEU A 35 -3.952 -3.022 -3.497 1.00 0.00 N ATOM 523 CA LEU A 35 -4.310 -1.754 -4.156 1.00 0.00 C ATOM 524 C LEU A 35 -5.466 -1.952 -5.146 1.00 0.00 C ATOM 525 O LEU A 35 -6.342 -1.104 -5.252 1.00 0.00 O ATOM 526 CB LEU A 35 -3.072 -1.170 -4.881 1.00 0.00 C ATOM 527 CG LEU A 35 -1.847 -0.852 -3.967 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.620 -0.440 -4.806 1.00 0.00 C ATOM 529 CD2 LEU A 35 -2.194 0.213 -2.896 1.00 0.00 C ATOM 0 H LEU A 35 -3.003 -3.334 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.642 -1.051 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.756 -1.875 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.370 -0.254 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.587 -1.766 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.218 -0.224 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.350 -1.253 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.860 0.449 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.317 0.408 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.504 1.135 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.005 -0.154 -2.267 1.00 0.00 H new ATOM 541 N SER A 36 -5.452 -3.097 -5.848 1.00 0.00 N ATOM 542 CA SER A 36 -6.484 -3.458 -6.837 1.00 0.00 C ATOM 543 C SER A 36 -7.870 -3.579 -6.178 1.00 0.00 C ATOM 544 O SER A 36 -8.881 -3.173 -6.758 1.00 0.00 O ATOM 545 CB SER A 36 -6.097 -4.778 -7.542 1.00 0.00 C ATOM 546 OG SER A 36 -7.002 -5.113 -8.583 1.00 0.00 O ATOM 0 H SER A 36 -4.722 -3.802 -5.746 1.00 0.00 H new ATOM 0 HA SER A 36 -6.542 -2.663 -7.580 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.091 -4.688 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.072 -5.585 -6.810 1.00 0.00 H new ATOM 0 HG SER A 36 -7.329 -4.293 -9.009 1.00 0.00 H new ATOM 552 N VAL A 37 -7.885 -4.126 -4.950 1.00 0.00 N ATOM 553 CA VAL A 37 -9.109 -4.288 -4.147 1.00 0.00 C ATOM 554 C VAL A 37 -9.492 -2.951 -3.464 1.00 0.00 C ATOM 555 O VAL A 37 -10.675 -2.649 -3.297 1.00 0.00 O ATOM 556 CB VAL A 37 -8.923 -5.438 -3.075 1.00 0.00 C ATOM 557 CG1 VAL A 37 -10.210 -5.665 -2.246 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.458 -6.761 -3.747 1.00 0.00 C ATOM 0 H VAL A 37 -7.045 -4.470 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.924 -4.574 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.143 -5.113 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.041 -6.462 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.471 -4.747 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.026 -5.947 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.339 -7.533 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.204 -7.081 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.505 -6.598 -4.251 1.00 0.00 H new ATOM 568 N ALA A 38 -8.471 -2.151 -3.102 1.00 0.00 N ATOM 569 CA ALA A 38 -8.646 -0.866 -2.381 1.00 0.00 C ATOM 570 C ALA A 38 -9.051 0.280 -3.335 1.00 0.00 C ATOM 571 O ALA A 38 -9.482 1.341 -2.878 1.00 0.00 O ATOM 572 CB ALA A 38 -7.352 -0.509 -1.619 1.00 0.00 C ATOM 0 H ALA A 38 -7.496 -2.375 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.460 -0.991 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.489 0.436 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.124 -1.296 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.528 -0.414 -2.326 1.00 0.00 H new ATOM 578 N SER A 39 -8.906 0.061 -4.657 1.00 0.00 N ATOM 579 CA SER A 39 -9.249 1.066 -5.689 1.00 0.00 C ATOM 580 C SER A 39 -10.462 0.609 -6.516 1.00 0.00 C ATOM 581 O SER A 39 -11.325 1.414 -6.866 1.00 0.00 O ATOM 582 CB SER A 39 -8.034 1.299 -6.607 1.00 0.00 C ATOM 583 OG SER A 39 -6.896 1.617 -5.840 1.00 0.00 O ATOM 0 H SER A 39 -8.549 -0.814 -5.041 1.00 0.00 H new ATOM 0 HA SER A 39 -9.511 2.001 -5.194 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.842 0.406 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.247 2.108 -7.306 1.00 0.00 H new ATOM 0 HG SER A 39 -6.492 0.793 -5.496 1.00 0.00 H new ATOM 589 N GLY A 40 -10.513 -0.697 -6.814 1.00 0.00 N ATOM 590 CA GLY A 40 -11.548 -1.276 -7.678 1.00 0.00 C ATOM 591 C GLY A 40 -11.019 -1.585 -9.076 1.00 0.00 C ATOM 592 O GLY A 40 -11.494 -2.527 -9.730 1.00 0.00 O ATOM 0 H GLY A 40 -9.840 -1.379 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.929 -2.191 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.387 -0.584 -7.753 1.00 0.00 H new ATOM 596 N VAL A 41 -10.028 -0.788 -9.535 1.00 0.00 N ATOM 597 CA VAL A 41 -9.363 -0.992 -10.830 1.00 0.00 C ATOM 598 C VAL A 41 -8.488 -2.274 -10.792 1.00 0.00 C ATOM 599 O VAL A 41 -7.837 -2.543 -9.778 1.00 0.00 O ATOM 600 CB VAL A 41 -8.501 0.265 -11.248 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.386 1.518 -11.431 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.347 0.545 -10.255 1.00 0.00 C ATOM 0 H VAL A 41 -9.671 0.013 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.138 -1.120 -11.586 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.046 0.025 -12.209 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.763 2.365 -11.718 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.125 1.331 -12.210 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.895 1.744 -10.494 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.785 1.418 -10.587 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.758 0.734 -9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.684 -0.319 -10.215 1.00 0.00 H new ATOM 612 N PRO A 42 -8.507 -3.114 -11.885 1.00 0.00 N ATOM 613 CA PRO A 42 -7.684 -4.352 -11.984 1.00 0.00 C ATOM 614 C PRO A 42 -6.168 -4.108 -11.815 1.00 0.00 C ATOM 615 O PRO A 42 -5.684 -2.979 -11.982 1.00 0.00 O ATOM 616 CB PRO A 42 -8.002 -4.886 -13.410 1.00 0.00 C ATOM 617 CG PRO A 42 -9.354 -4.321 -13.724 1.00 0.00 C ATOM 618 CD PRO A 42 -9.371 -2.950 -13.084 1.00 0.00 C ATOM 0 HA PRO A 42 -7.927 -5.050 -11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.256 -4.557 -14.133 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.011 -5.976 -13.434 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.513 -4.255 -14.800 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.147 -4.952 -13.323 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.981 -2.188 -13.758 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.382 -2.647 -12.811 1.00 0.00 H new ATOM 626 N LYS A 43 -5.434 -5.195 -11.509 1.00 0.00 N ATOM 627 CA LYS A 43 -3.963 -5.176 -11.357 1.00 0.00 C ATOM 628 C LYS A 43 -3.269 -4.789 -12.682 1.00 0.00 C ATOM 629 O LYS A 43 -2.181 -4.202 -12.672 1.00 0.00 O ATOM 630 CB LYS A 43 -3.451 -6.561 -10.878 1.00 0.00 C ATOM 631 CG LYS A 43 -3.995 -7.020 -9.504 1.00 0.00 C ATOM 632 CD LYS A 43 -3.388 -8.361 -9.028 1.00 0.00 C ATOM 633 CE LYS A 43 -1.864 -8.289 -8.847 1.00 0.00 C ATOM 634 NZ LYS A 43 -1.303 -9.569 -8.361 1.00 0.00 N ATOM 0 H LYS A 43 -5.845 -6.116 -11.359 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.715 -4.424 -10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.717 -7.308 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.362 -6.532 -10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.786 -6.250 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.079 -7.120 -9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.849 -8.649 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.628 -9.141 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.398 -8.026 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.620 -7.495 -8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.309 -9.647 -8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.358 -9.600 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.847 -10.360 -8.760 1.00 0.00 H new ATOM 648 N GLU A 44 -3.924 -5.128 -13.815 1.00 0.00 N ATOM 649 CA GLU A 44 -3.436 -4.800 -15.172 1.00 0.00 C ATOM 650 C GLU A 44 -3.495 -3.275 -15.447 1.00 0.00 C ATOM 651 O GLU A 44 -2.848 -2.779 -16.377 1.00 0.00 O ATOM 652 CB GLU A 44 -4.262 -5.576 -16.233 1.00 0.00 C ATOM 653 CG GLU A 44 -4.173 -7.117 -16.108 1.00 0.00 C ATOM 654 CD GLU A 44 -5.030 -7.861 -17.150 1.00 0.00 C ATOM 655 OE1 GLU A 44 -6.255 -7.992 -16.938 1.00 0.00 O ATOM 656 OE2 GLU A 44 -4.488 -8.301 -18.186 1.00 0.00 O ATOM 0 H GLU A 44 -4.808 -5.638 -13.813 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.391 -5.104 -15.238 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.307 -5.277 -16.153 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.922 -5.284 -17.226 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.133 -7.424 -16.216 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.490 -7.413 -15.108 1.00 0.00 H new ATOM 663 N GLU A 45 -4.292 -2.549 -14.638 1.00 0.00 N ATOM 664 CA GLU A 45 -4.397 -1.081 -14.707 1.00 0.00 C ATOM 665 C GLU A 45 -3.357 -0.406 -13.796 1.00 0.00 C ATOM 666 O GLU A 45 -3.024 0.763 -13.992 1.00 0.00 O ATOM 667 CB GLU A 45 -5.832 -0.621 -14.319 1.00 0.00 C ATOM 668 CG GLU A 45 -6.943 -1.157 -15.244 1.00 0.00 C ATOM 669 CD GLU A 45 -6.770 -0.710 -16.704 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.053 0.471 -17.012 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.342 -1.531 -17.551 1.00 0.00 O ATOM 0 H GLU A 45 -4.881 -2.966 -13.918 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.195 -0.778 -15.734 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.040 -0.941 -13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.865 0.468 -14.324 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.951 -2.246 -15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.911 -0.816 -14.877 1.00 0.00 H new ATOM 678 N ILE A 46 -2.831 -1.149 -12.809 1.00 0.00 N ATOM 679 CA ILE A 46 -1.909 -0.602 -11.797 1.00 0.00 C ATOM 680 C ILE A 46 -0.452 -0.997 -12.110 1.00 0.00 C ATOM 681 O ILE A 46 -0.055 -2.158 -11.933 1.00 0.00 O ATOM 682 CB ILE A 46 -2.285 -1.085 -10.347 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.805 -0.866 -10.069 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.425 -0.357 -9.273 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.279 -1.358 -8.719 1.00 0.00 C ATOM 0 H ILE A 46 -3.031 -2.142 -12.689 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.003 0.483 -11.834 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.072 -2.152 -10.285 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.025 0.198 -10.150 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.379 -1.371 -10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.706 -0.710 -8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.370 -0.568 -9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.596 0.718 -9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.346 -1.164 -8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.096 -2.429 -8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.737 -0.836 -7.931 1.00 0.00 H new ATOM 697 N SER A 47 0.319 -0.026 -12.610 1.00 0.00 N ATOM 698 CA SER A 47 1.788 -0.102 -12.676 1.00 0.00 C ATOM 699 C SER A 47 2.367 0.606 -11.428 1.00 0.00 C ATOM 700 O SER A 47 1.598 1.080 -10.571 1.00 0.00 O ATOM 701 CB SER A 47 2.263 0.578 -13.983 1.00 0.00 C ATOM 702 OG SER A 47 1.868 1.945 -14.030 1.00 0.00 O ATOM 0 H SER A 47 -0.059 0.844 -12.985 1.00 0.00 H new ATOM 0 HA SER A 47 2.133 -1.136 -12.684 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.348 0.508 -14.058 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.850 0.048 -14.841 1.00 0.00 H new ATOM 0 HG SER A 47 2.183 2.348 -14.866 1.00 0.00 H new ATOM 708 N ARG A 48 3.711 0.693 -11.300 1.00 0.00 N ATOM 709 CA ARG A 48 4.323 1.449 -10.179 1.00 0.00 C ATOM 710 C ARG A 48 4.433 2.957 -10.513 1.00 0.00 C ATOM 711 O ARG A 48 4.680 3.781 -9.620 1.00 0.00 O ATOM 712 CB ARG A 48 5.679 0.861 -9.721 1.00 0.00 C ATOM 713 CG ARG A 48 6.827 0.917 -10.742 1.00 0.00 C ATOM 714 CD ARG A 48 8.149 0.426 -10.136 1.00 0.00 C ATOM 715 NE ARG A 48 8.014 -0.921 -9.540 1.00 0.00 N ATOM 716 CZ ARG A 48 8.407 -1.280 -8.302 1.00 0.00 C ATOM 717 NH1 ARG A 48 8.980 -0.420 -7.472 1.00 0.00 N ATOM 718 NH2 ARG A 48 8.216 -2.523 -7.904 1.00 0.00 N ATOM 0 H ARG A 48 4.379 0.262 -11.940 1.00 0.00 H new ATOM 0 HA ARG A 48 3.649 1.343 -9.329 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.995 1.390 -8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.522 -0.180 -9.439 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.574 0.305 -11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.948 1.940 -11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.918 0.406 -10.909 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.482 1.129 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 48 7.585 -1.643 -10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.135 0.545 -7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.266 -0.723 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.776 -3.197 -8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.508 -2.810 -6.970 1.00 0.00 H new ATOM 732 N ASP A 49 4.204 3.308 -11.795 1.00 0.00 N ATOM 733 CA ASP A 49 4.119 4.713 -12.258 1.00 0.00 C ATOM 734 C ASP A 49 2.646 5.166 -12.339 1.00 0.00 C ATOM 735 O ASP A 49 2.354 6.228 -12.900 1.00 0.00 O ATOM 736 CB ASP A 49 4.796 4.866 -13.650 1.00 0.00 C ATOM 737 CG ASP A 49 6.320 4.680 -13.623 1.00 0.00 C ATOM 738 OD1 ASP A 49 6.789 3.524 -13.538 1.00 0.00 O ATOM 739 OD2 ASP A 49 7.062 5.683 -13.690 1.00 0.00 O ATOM 0 H ASP A 49 4.072 2.626 -12.542 1.00 0.00 H new ATOM 0 HA ASP A 49 4.642 5.343 -11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.363 4.138 -14.336 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.567 5.855 -14.048 1.00 0.00 H new ATOM 744 N SER A 50 1.718 4.386 -11.742 1.00 0.00 N ATOM 745 CA SER A 50 0.261 4.623 -11.859 1.00 0.00 C ATOM 746 C SER A 50 -0.264 5.659 -10.814 1.00 0.00 C ATOM 747 O SER A 50 -1.479 5.717 -10.566 1.00 0.00 O ATOM 748 CB SER A 50 -0.485 3.268 -11.735 1.00 0.00 C ATOM 749 OG SER A 50 -1.876 3.380 -12.019 1.00 0.00 O ATOM 0 H SER A 50 1.956 3.577 -11.168 1.00 0.00 H new ATOM 0 HA SER A 50 0.063 5.061 -12.838 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.036 2.546 -12.417 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.354 2.877 -10.726 1.00 0.00 H new ATOM 0 HG SER A 50 -2.242 4.164 -11.559 1.00 0.00 H new ATOM 755 N ARG A 51 0.658 6.475 -10.224 1.00 0.00 N ATOM 756 CA ARG A 51 0.328 7.585 -9.275 1.00 0.00 C ATOM 757 C ARG A 51 -0.227 7.056 -7.927 1.00 0.00 C ATOM 758 O ARG A 51 -0.554 5.880 -7.792 1.00 0.00 O ATOM 759 CB ARG A 51 -0.686 8.600 -9.918 1.00 0.00 C ATOM 760 CG ARG A 51 -0.172 9.304 -11.210 1.00 0.00 C ATOM 761 CD ARG A 51 0.340 10.736 -10.975 1.00 0.00 C ATOM 762 NE ARG A 51 -0.769 11.652 -10.639 1.00 0.00 N ATOM 763 CZ ARG A 51 -0.774 12.976 -10.851 1.00 0.00 C ATOM 764 NH1 ARG A 51 0.297 13.596 -11.338 1.00 0.00 N ATOM 765 NH2 ARG A 51 -1.859 13.673 -10.561 1.00 0.00 N ATOM 0 H ARG A 51 1.659 6.381 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 51 1.262 8.107 -9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.610 8.071 -10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.934 9.362 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.631 8.707 -11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.979 9.332 -11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.072 10.735 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.852 11.093 -11.869 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.600 11.244 -10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.139 13.064 -11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.276 14.604 -11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.680 13.203 -10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.875 14.681 -10.718 1.00 0.00 H new ATOM 779 N MET A 52 -0.297 7.944 -6.922 1.00 0.00 N ATOM 780 CA MET A 52 -0.982 7.663 -5.648 1.00 0.00 C ATOM 781 C MET A 52 -2.071 8.718 -5.467 1.00 0.00 C ATOM 782 O MET A 52 -1.788 9.849 -5.046 1.00 0.00 O ATOM 783 CB MET A 52 0.000 7.675 -4.439 1.00 0.00 C ATOM 784 CG MET A 52 1.189 6.725 -4.599 1.00 0.00 C ATOM 785 SD MET A 52 0.714 5.026 -4.977 1.00 0.00 S ATOM 786 CE MET A 52 0.026 4.475 -3.430 1.00 0.00 C ATOM 0 H MET A 52 0.118 8.875 -6.969 1.00 0.00 H new ATOM 0 HA MET A 52 -1.412 6.662 -5.682 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.374 8.689 -4.297 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.548 7.407 -3.535 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.836 7.097 -5.393 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.775 6.733 -3.680 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.433 3.495 -3.564 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.818 4.406 -2.684 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.728 5.186 -3.094 1.00 0.00 H new ATOM 796 N GLU A 53 -3.300 8.367 -5.897 1.00 0.00 N ATOM 797 CA GLU A 53 -4.509 9.212 -5.735 1.00 0.00 C ATOM 798 C GLU A 53 -5.676 8.302 -5.316 1.00 0.00 C ATOM 799 O GLU A 53 -6.178 8.376 -4.185 1.00 0.00 O ATOM 800 CB GLU A 53 -4.824 9.976 -7.060 1.00 0.00 C ATOM 801 CG GLU A 53 -3.669 10.881 -7.543 1.00 0.00 C ATOM 802 CD GLU A 53 -3.923 11.542 -8.894 1.00 0.00 C ATOM 803 OE1 GLU A 53 -3.688 10.897 -9.932 1.00 0.00 O ATOM 804 OE2 GLU A 53 -4.347 12.711 -8.932 1.00 0.00 O ATOM 0 H GLU A 53 -3.487 7.483 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.345 9.966 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.057 9.252 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.716 10.586 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.493 11.657 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.757 10.287 -7.606 1.00 0.00 H new ATOM 811 N ASP A 54 -6.053 7.409 -6.244 1.00 0.00 N ATOM 812 CA ASP A 54 -7.099 6.391 -6.037 1.00 0.00 C ATOM 813 C ASP A 54 -6.512 5.163 -5.328 1.00 0.00 C ATOM 814 O ASP A 54 -7.174 4.531 -4.502 1.00 0.00 O ATOM 815 CB ASP A 54 -7.704 5.967 -7.411 1.00 0.00 C ATOM 816 CG ASP A 54 -8.206 7.163 -8.238 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.380 7.571 -8.072 1.00 0.00 O ATOM 818 OD2 ASP A 54 -7.416 7.712 -9.050 1.00 0.00 O ATOM 0 H ASP A 54 -5.635 7.372 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.885 6.817 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.950 5.427 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.530 5.277 -7.241 1.00 0.00 H new ATOM 823 N LEU A 55 -5.240 4.863 -5.670 1.00 0.00 N ATOM 824 CA LEU A 55 -4.543 3.637 -5.240 1.00 0.00 C ATOM 825 C LEU A 55 -4.230 3.643 -3.739 1.00 0.00 C ATOM 826 O LEU A 55 -4.418 2.619 -3.074 1.00 0.00 O ATOM 827 CB LEU A 55 -3.267 3.436 -6.094 1.00 0.00 C ATOM 828 CG LEU A 55 -3.511 3.397 -7.643 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.206 3.173 -8.421 1.00 0.00 C ATOM 830 CD2 LEU A 55 -4.571 2.336 -8.029 1.00 0.00 C ATOM 0 H LEU A 55 -4.667 5.470 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.210 2.790 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.567 4.241 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.788 2.505 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.900 4.375 -7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.419 3.152 -9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.510 3.984 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.762 2.224 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.712 2.339 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.232 1.350 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.516 2.571 -7.539 1.00 0.00 H new ATOM 842 N ALA A 56 -3.737 4.799 -3.242 1.00 0.00 N ATOM 843 CA ALA A 56 -3.590 5.084 -1.798 1.00 0.00 C ATOM 844 C ALA A 56 -3.119 6.533 -1.602 1.00 0.00 C ATOM 845 O ALA A 56 -1.915 6.825 -1.690 1.00 0.00 O ATOM 846 CB ALA A 56 -2.646 4.099 -1.075 1.00 0.00 C ATOM 0 H ALA A 56 -3.427 5.567 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.571 4.949 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.582 4.364 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.035 3.085 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.654 4.151 -1.523 1.00 0.00 H new ATOM 852 N PHE A 57 -4.096 7.424 -1.381 1.00 0.00 N ATOM 853 CA PHE A 57 -3.862 8.848 -1.065 1.00 0.00 C ATOM 854 C PHE A 57 -5.151 9.435 -0.487 1.00 0.00 C ATOM 855 O PHE A 57 -5.108 10.275 0.417 1.00 0.00 O ATOM 856 CB PHE A 57 -3.402 9.640 -2.311 1.00 0.00 C ATOM 857 CG PHE A 57 -2.948 11.088 -2.054 1.00 0.00 C ATOM 858 CD1 PHE A 57 -3.877 12.127 -1.928 1.00 0.00 C ATOM 859 CD2 PHE A 57 -1.593 11.410 -1.963 1.00 0.00 C ATOM 860 CE1 PHE A 57 -3.468 13.425 -1.702 1.00 0.00 C ATOM 861 CE2 PHE A 57 -1.189 12.714 -1.739 1.00 0.00 C ATOM 862 CZ PHE A 57 -2.127 13.718 -1.613 1.00 0.00 C ATOM 0 H PHE A 57 -5.085 7.177 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.059 8.926 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.580 9.099 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.221 9.658 -3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.932 11.909 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.851 10.632 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.201 14.211 -1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.137 12.947 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.808 14.736 -1.444 1.00 0.00 H new ATOM 872 N ASP A 58 -6.292 8.989 -1.049 1.00 0.00 N ATOM 873 CA ASP A 58 -7.625 9.247 -0.478 1.00 0.00 C ATOM 874 C ASP A 58 -7.668 8.786 0.994 1.00 0.00 C ATOM 875 O ASP A 58 -7.138 7.724 1.306 1.00 0.00 O ATOM 876 CB ASP A 58 -8.719 8.527 -1.309 1.00 0.00 C ATOM 877 CG ASP A 58 -10.117 8.609 -0.663 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.785 9.653 -0.809 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.536 7.646 0.026 1.00 0.00 O ATOM 0 H ASP A 58 -6.314 8.441 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.821 10.319 -0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.759 8.967 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.443 7.480 -1.433 1.00 0.00 H new ATOM 884 N SER A 59 -8.324 9.591 1.850 1.00 0.00 N ATOM 885 CA SER A 59 -8.371 9.414 3.317 1.00 0.00 C ATOM 886 C SER A 59 -8.703 7.966 3.745 1.00 0.00 C ATOM 887 O SER A 59 -8.018 7.383 4.594 1.00 0.00 O ATOM 888 CB SER A 59 -9.421 10.383 3.904 1.00 0.00 C ATOM 889 OG SER A 59 -9.151 11.719 3.536 1.00 0.00 O ATOM 0 H SER A 59 -8.851 10.405 1.534 1.00 0.00 H new ATOM 0 HA SER A 59 -7.376 9.633 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.414 10.101 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.430 10.298 4.991 1.00 0.00 H new ATOM 0 HG SER A 59 -9.833 12.308 3.921 1.00 0.00 H new ATOM 895 N LEU A 60 -9.742 7.395 3.114 1.00 0.00 N ATOM 896 CA LEU A 60 -10.259 6.067 3.478 1.00 0.00 C ATOM 897 C LEU A 60 -9.412 4.939 2.875 1.00 0.00 C ATOM 898 O LEU A 60 -9.389 3.836 3.417 1.00 0.00 O ATOM 899 CB LEU A 60 -11.741 5.925 3.058 1.00 0.00 C ATOM 900 CG LEU A 60 -12.735 6.952 3.691 1.00 0.00 C ATOM 901 CD1 LEU A 60 -14.190 6.664 3.253 1.00 0.00 C ATOM 902 CD2 LEU A 60 -12.606 6.996 5.238 1.00 0.00 C ATOM 0 H LEU A 60 -10.243 7.837 2.344 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.194 5.977 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.800 6.013 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.076 4.920 3.315 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.466 7.940 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.859 7.394 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.264 6.733 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.475 5.662 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.313 7.721 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.823 6.010 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.592 7.288 5.510 1.00 0.00 H new ATOM 914 N VAL A 61 -8.727 5.222 1.748 1.00 0.00 N ATOM 915 CA VAL A 61 -7.817 4.241 1.112 1.00 0.00 C ATOM 916 C VAL A 61 -6.482 4.169 1.889 1.00 0.00 C ATOM 917 O VAL A 61 -5.828 3.127 1.919 1.00 0.00 O ATOM 918 CB VAL A 61 -7.547 4.562 -0.412 1.00 0.00 C ATOM 919 CG1 VAL A 61 -6.785 3.408 -1.102 1.00 0.00 C ATOM 920 CG2 VAL A 61 -8.860 4.853 -1.167 1.00 0.00 C ATOM 0 H VAL A 61 -8.784 6.116 1.260 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.314 3.272 1.150 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.925 5.457 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.615 3.659 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.827 3.256 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.375 2.494 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.638 5.070 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.514 3.983 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.357 5.712 -0.716 1.00 0.00 H new ATOM 930 N VAL A 62 -6.102 5.296 2.524 1.00 0.00 N ATOM 931 CA VAL A 62 -4.908 5.384 3.391 1.00 0.00 C ATOM 932 C VAL A 62 -5.143 4.589 4.689 1.00 0.00 C ATOM 933 O VAL A 62 -4.264 3.833 5.119 1.00 0.00 O ATOM 934 CB VAL A 62 -4.547 6.891 3.717 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.498 7.017 4.847 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.052 7.617 2.449 1.00 0.00 C ATOM 0 H VAL A 62 -6.616 6.174 2.450 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.062 4.950 2.857 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.463 7.366 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.286 8.070 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.887 6.561 5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.581 6.509 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.809 8.651 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.163 7.116 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.834 7.598 1.690 1.00 0.00 H new ATOM 946 N SER A 63 -6.339 4.760 5.290 1.00 0.00 N ATOM 947 CA SER A 63 -6.739 4.027 6.504 1.00 0.00 C ATOM 948 C SER A 63 -6.926 2.524 6.200 1.00 0.00 C ATOM 949 O SER A 63 -6.647 1.677 7.054 1.00 0.00 O ATOM 950 CB SER A 63 -8.027 4.641 7.109 1.00 0.00 C ATOM 951 OG SER A 63 -9.091 4.653 6.173 1.00 0.00 O ATOM 0 H SER A 63 -7.049 5.407 4.948 1.00 0.00 H new ATOM 0 HA SER A 63 -5.942 4.120 7.242 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.323 4.071 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.823 5.659 7.442 1.00 0.00 H new ATOM 0 HG SER A 63 -8.773 4.311 5.312 1.00 0.00 H new ATOM 957 N GLU A 64 -7.398 2.218 4.967 1.00 0.00 N ATOM 958 CA GLU A 64 -7.549 0.836 4.465 1.00 0.00 C ATOM 959 C GLU A 64 -6.175 0.165 4.321 1.00 0.00 C ATOM 960 O GLU A 64 -5.978 -0.971 4.769 1.00 0.00 O ATOM 961 CB GLU A 64 -8.293 0.823 3.089 1.00 0.00 C ATOM 962 CG GLU A 64 -8.420 -0.566 2.407 1.00 0.00 C ATOM 963 CD GLU A 64 -9.303 -1.566 3.188 1.00 0.00 C ATOM 964 OE1 GLU A 64 -8.811 -2.226 4.133 1.00 0.00 O ATOM 965 OE2 GLU A 64 -10.497 -1.703 2.859 1.00 0.00 O ATOM 0 H GLU A 64 -7.685 2.927 4.293 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.143 0.277 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.294 1.229 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.771 1.496 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.834 -0.433 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.425 -0.993 2.285 1.00 0.00 H new ATOM 972 N LEU A 65 -5.229 0.891 3.690 1.00 0.00 N ATOM 973 CA LEU A 65 -3.897 0.359 3.370 1.00 0.00 C ATOM 974 C LEU A 65 -3.081 0.144 4.646 1.00 0.00 C ATOM 975 O LEU A 65 -2.386 -0.850 4.750 1.00 0.00 O ATOM 976 CB LEU A 65 -3.123 1.277 2.386 1.00 0.00 C ATOM 977 CG LEU A 65 -1.723 0.736 1.923 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.841 -0.608 1.162 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.977 1.783 1.077 1.00 0.00 C ATOM 0 H LEU A 65 -5.370 1.856 3.391 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.045 -0.601 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.742 1.439 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.980 2.249 2.858 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.140 0.546 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.849 -0.944 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.296 -1.356 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.462 -0.471 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.011 1.382 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.567 2.024 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.824 2.686 1.668 1.00 0.00 H new ATOM 991 N SER A 66 -3.176 1.085 5.601 1.00 0.00 N ATOM 992 CA SER A 66 -2.509 0.969 6.912 1.00 0.00 C ATOM 993 C SER A 66 -3.039 -0.238 7.691 1.00 0.00 C ATOM 994 O SER A 66 -2.255 -1.046 8.194 1.00 0.00 O ATOM 995 CB SER A 66 -2.702 2.258 7.723 1.00 0.00 C ATOM 996 OG SER A 66 -2.086 3.352 7.078 1.00 0.00 O ATOM 0 H SER A 66 -3.714 1.944 5.488 1.00 0.00 H new ATOM 0 HA SER A 66 -1.443 0.819 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.766 2.457 7.850 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.280 2.133 8.720 1.00 0.00 H new ATOM 0 HG SER A 66 -2.722 3.768 6.460 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.383 -0.355 7.753 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.073 -1.487 8.403 1.00 0.00 C ATOM 1004 C LEU A 67 -4.627 -2.821 7.777 1.00 0.00 C ATOM 1005 O LEU A 67 -4.477 -3.833 8.481 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.614 -1.307 8.288 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.508 -2.438 8.905 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.210 -2.646 10.412 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -9.011 -2.147 8.666 1.00 0.00 C ATOM 0 H LEU A 67 -5.020 0.334 7.353 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.805 -1.505 9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.882 -0.364 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.867 -1.213 7.232 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.259 -3.369 8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.849 -3.438 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.165 -2.927 10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.406 -1.720 10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.610 -2.946 9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.276 -1.198 9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.205 -2.092 7.595 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.396 -2.787 6.450 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.928 -3.949 5.692 1.00 0.00 C ATOM 1023 C LYS A 68 -2.489 -4.277 6.102 1.00 0.00 C ATOM 1024 O LYS A 68 -2.215 -5.389 6.519 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.010 -3.688 4.155 1.00 0.00 C ATOM 1026 CG LYS A 68 -4.235 -4.968 3.307 1.00 0.00 C ATOM 1027 CD LYS A 68 -5.681 -5.507 3.433 1.00 0.00 C ATOM 1028 CE LYS A 68 -6.727 -4.500 2.908 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.124 -4.928 3.193 1.00 0.00 N ATOM 0 H LYS A 68 -4.530 -1.952 5.880 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.573 -4.798 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.822 -2.988 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.088 -3.206 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.020 -4.751 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.533 -5.739 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.768 -6.441 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.892 -5.736 4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.549 -3.526 3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.600 -4.377 1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.570 -5.263 2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.115 -5.698 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.664 -4.123 3.571 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.601 -3.256 6.037 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.149 -3.399 6.300 1.00 0.00 C ATOM 1045 C LEU A 69 0.115 -4.090 7.648 1.00 0.00 C ATOM 1046 O LEU A 69 0.943 -4.985 7.724 1.00 0.00 O ATOM 1047 CB LEU A 69 0.553 -2.000 6.274 1.00 0.00 C ATOM 1048 CG LEU A 69 0.693 -1.309 4.878 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.210 0.142 5.017 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.594 -2.130 3.926 1.00 0.00 C ATOM 0 H LEU A 69 -1.875 -2.303 5.799 1.00 0.00 H new ATOM 0 HA LEU A 69 0.267 -4.025 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.001 -1.330 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.550 -2.112 6.700 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.303 -1.268 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.296 0.594 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.511 0.721 5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.187 0.135 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.669 -1.620 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.588 -2.230 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.161 -3.119 3.779 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.635 -3.668 8.679 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.461 -4.115 10.081 1.00 0.00 C ATOM 1064 C ARG A 70 -0.672 -5.636 10.231 1.00 0.00 C ATOM 1065 O ARG A 70 0.041 -6.287 10.996 1.00 0.00 O ATOM 1066 CB ARG A 70 -1.411 -3.291 10.995 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.083 -1.770 10.999 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.160 -0.890 11.667 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.256 -1.120 13.118 1.00 0.00 N ATOM 1070 CZ ARG A 70 -2.767 -0.252 14.009 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -3.196 0.948 13.633 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -2.832 -0.586 15.283 1.00 0.00 N ATOM 0 H ARG A 70 -1.393 -2.995 8.565 1.00 0.00 H new ATOM 0 HA ARG A 70 0.568 -3.932 10.391 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.440 -3.434 10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.348 -3.673 12.014 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.134 -1.616 11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.945 -1.437 9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.932 0.160 11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.127 -1.092 11.206 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.907 -2.009 13.476 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.141 1.225 12.653 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.580 1.592 14.324 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.496 -1.499 15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.219 0.069 15.963 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.632 -6.199 9.472 1.00 0.00 N ATOM 1087 CA LYS A 71 -1.918 -7.654 9.481 1.00 0.00 C ATOM 1088 C LYS A 71 -1.222 -8.360 8.296 1.00 0.00 C ATOM 1089 O LYS A 71 -0.322 -9.184 8.493 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.459 -7.891 9.430 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.179 -7.612 10.766 1.00 0.00 C ATOM 1092 CD LYS A 71 -5.714 -7.800 10.675 1.00 0.00 C ATOM 1093 CE LYS A 71 -6.391 -7.916 12.053 1.00 0.00 C ATOM 1094 NZ LYS A 71 -6.080 -6.771 12.943 1.00 0.00 N ATOM 0 H LYS A 71 -2.229 -5.667 8.839 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.524 -8.080 10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.889 -7.254 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.648 -8.923 9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.782 -8.277 11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.961 -6.592 11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.146 -6.958 10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.930 -8.696 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.471 -7.983 11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.072 -8.841 12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.614 -6.866 13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.061 -6.760 13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.346 -5.883 12.472 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.667 -7.990 7.088 1.00 0.00 N ATOM 1109 CA GLU A 72 -1.279 -8.605 5.799 1.00 0.00 C ATOM 1110 C GLU A 72 0.250 -8.673 5.592 1.00 0.00 C ATOM 1111 O GLU A 72 0.754 -9.673 5.084 1.00 0.00 O ATOM 1112 CB GLU A 72 -1.919 -7.782 4.636 1.00 0.00 C ATOM 1113 CG GLU A 72 -2.063 -8.508 3.285 1.00 0.00 C ATOM 1114 CD GLU A 72 -3.203 -9.539 3.292 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -4.382 -9.122 3.285 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -2.932 -10.761 3.324 1.00 0.00 O ATOM 0 H GLU A 72 -2.332 -7.226 6.971 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.643 -9.632 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.908 -7.452 4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.319 -6.886 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.245 -7.775 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.126 -9.009 3.043 1.00 0.00 H new ATOM 1123 N PHE A 73 0.974 -7.596 5.983 1.00 0.00 N ATOM 1124 CA PHE A 73 2.424 -7.437 5.682 1.00 0.00 C ATOM 1125 C PHE A 73 3.287 -7.306 6.950 1.00 0.00 C ATOM 1126 O PHE A 73 4.514 -7.434 6.869 1.00 0.00 O ATOM 1127 CB PHE A 73 2.641 -6.201 4.771 1.00 0.00 C ATOM 1128 CG PHE A 73 1.892 -6.299 3.438 1.00 0.00 C ATOM 1129 CD1 PHE A 73 2.332 -7.174 2.443 1.00 0.00 C ATOM 1130 CD2 PHE A 73 0.734 -5.558 3.196 1.00 0.00 C ATOM 1131 CE1 PHE A 73 1.646 -7.290 1.255 1.00 0.00 C ATOM 1132 CE2 PHE A 73 0.054 -5.673 2.003 1.00 0.00 C ATOM 1133 CZ PHE A 73 0.509 -6.544 1.035 1.00 0.00 C ATOM 0 H PHE A 73 0.577 -6.819 6.511 1.00 0.00 H new ATOM 0 HA PHE A 73 2.743 -8.344 5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.314 -5.305 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.707 -6.084 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.220 -7.766 2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.365 -4.884 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.000 -7.968 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.833 -5.083 1.826 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.027 -6.641 0.103 1.00 0.00 H new ATOM 1143 N GLY A 74 2.653 -7.043 8.106 1.00 0.00 N ATOM 1144 CA GLY A 74 3.374 -6.819 9.371 1.00 0.00 C ATOM 1145 C GLY A 74 4.077 -5.458 9.452 1.00 0.00 C ATOM 1146 O GLY A 74 4.959 -5.263 10.297 1.00 0.00 O ATOM 0 H GLY A 74 1.638 -6.980 8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.670 -6.903 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.115 -7.608 9.501 1.00 0.00 H new ATOM 1150 N VAL A 75 3.693 -4.524 8.566 1.00 0.00 N ATOM 1151 CA VAL A 75 4.207 -3.132 8.557 1.00 0.00 C ATOM 1152 C VAL A 75 3.246 -2.241 9.368 1.00 0.00 C ATOM 1153 O VAL A 75 2.039 -2.356 9.219 1.00 0.00 O ATOM 1154 CB VAL A 75 4.348 -2.582 7.083 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.905 -1.134 7.044 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.211 -3.532 6.222 1.00 0.00 C ATOM 0 H VAL A 75 3.013 -4.709 7.828 1.00 0.00 H new ATOM 0 HA VAL A 75 5.199 -3.119 9.009 1.00 0.00 H new ATOM 0 HB VAL A 75 3.345 -2.546 6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.983 -0.802 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.233 -0.471 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.891 -1.111 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.294 -3.133 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.205 -3.619 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.743 -4.516 6.186 1.00 0.00 H new ATOM 1166 N THR A 76 3.786 -1.356 10.219 1.00 0.00 N ATOM 1167 CA THR A 76 2.969 -0.486 11.094 1.00 0.00 C ATOM 1168 C THR A 76 2.161 0.560 10.263 1.00 0.00 C ATOM 1169 O THR A 76 2.525 0.862 9.116 1.00 0.00 O ATOM 1170 CB THR A 76 3.884 0.213 12.163 1.00 0.00 C ATOM 1171 OG1 THR A 76 4.842 -0.737 12.669 1.00 0.00 O ATOM 1172 CG2 THR A 76 3.076 0.761 13.351 1.00 0.00 C ATOM 0 H THR A 76 4.791 -1.220 10.324 1.00 0.00 H new ATOM 0 HA THR A 76 2.242 -1.107 11.616 1.00 0.00 H new ATOM 0 HB THR A 76 4.379 1.048 11.668 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.414 -0.301 13.335 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.752 1.235 14.063 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.354 1.495 12.992 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.549 -0.058 13.841 1.00 0.00 H new ATOM 1180 N GLY A 77 1.051 1.070 10.853 1.00 0.00 N ATOM 1181 CA GLY A 77 0.153 2.019 10.185 1.00 0.00 C ATOM 1182 C GLY A 77 0.805 3.382 9.930 1.00 0.00 C ATOM 1183 O GLY A 77 0.701 4.301 10.756 1.00 0.00 O ATOM 0 H GLY A 77 0.762 0.830 11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.173 1.595 9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.739 2.158 10.795 1.00 0.00 H new ATOM 1187 N VAL A 78 1.476 3.508 8.774 1.00 0.00 N ATOM 1188 CA VAL A 78 2.276 4.699 8.397 1.00 0.00 C ATOM 1189 C VAL A 78 1.437 5.695 7.550 1.00 0.00 C ATOM 1190 O VAL A 78 1.909 6.228 6.540 1.00 0.00 O ATOM 1191 CB VAL A 78 3.593 4.241 7.644 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.533 3.482 8.610 1.00 0.00 C ATOM 1193 CG2 VAL A 78 3.281 3.375 6.389 1.00 0.00 C ATOM 0 H VAL A 78 1.482 2.779 8.061 1.00 0.00 H new ATOM 0 HA VAL A 78 2.569 5.231 9.302 1.00 0.00 H new ATOM 0 HB VAL A 78 4.097 5.142 7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.432 3.175 8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.808 4.135 9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.022 2.600 8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.214 3.085 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.735 2.481 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.675 3.952 5.690 1.00 0.00 H new ATOM 1203 N ASP A 79 0.208 5.979 8.050 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.823 6.824 7.381 1.00 0.00 C ATOM 1205 C ASP A 79 -0.282 8.170 6.848 1.00 0.00 C ATOM 1206 O ASP A 79 -0.655 8.616 5.751 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.994 7.107 8.368 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.762 5.843 8.780 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -2.311 5.136 9.708 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.805 5.525 8.157 1.00 0.00 O ATOM 0 H ASP A 79 -0.105 5.619 8.952 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.162 6.254 6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.598 7.590 9.261 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.687 7.810 7.906 1.00 0.00 H new ATOM 1215 N ASP A 80 0.600 8.785 7.646 1.00 0.00 N ATOM 1216 CA ASP A 80 1.231 10.087 7.344 1.00 0.00 C ATOM 1217 C ASP A 80 2.027 9.996 6.034 1.00 0.00 C ATOM 1218 O ASP A 80 1.815 10.771 5.099 1.00 0.00 O ATOM 1219 CB ASP A 80 2.187 10.496 8.502 1.00 0.00 C ATOM 1220 CG ASP A 80 1.539 10.418 9.893 1.00 0.00 C ATOM 1221 OD1 ASP A 80 1.472 9.308 10.462 1.00 0.00 O ATOM 1222 OD2 ASP A 80 1.106 11.460 10.430 1.00 0.00 O ATOM 0 H ASP A 80 0.904 8.390 8.536 1.00 0.00 H new ATOM 0 HA ASP A 80 0.448 10.838 7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.064 9.850 8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.537 11.514 8.330 1.00 0.00 H new ATOM 1227 N GLU A 81 2.901 8.987 5.987 1.00 0.00 N ATOM 1228 CA GLU A 81 3.810 8.750 4.862 1.00 0.00 C ATOM 1229 C GLU A 81 3.053 8.223 3.627 1.00 0.00 C ATOM 1230 O GLU A 81 3.509 8.422 2.500 1.00 0.00 O ATOM 1231 CB GLU A 81 4.915 7.766 5.294 1.00 0.00 C ATOM 1232 CG GLU A 81 5.788 8.258 6.477 1.00 0.00 C ATOM 1233 CD GLU A 81 6.811 7.207 6.931 1.00 0.00 C ATOM 1234 OE1 GLU A 81 6.411 6.250 7.620 1.00 0.00 O ATOM 1235 OE2 GLU A 81 8.006 7.310 6.582 1.00 0.00 O ATOM 0 H GLU A 81 2.999 8.304 6.738 1.00 0.00 H new ATOM 0 HA GLU A 81 4.267 9.698 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.452 6.818 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.562 7.568 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.312 9.167 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.143 8.519 7.316 1.00 0.00 H new ATOM 1242 N LEU A 82 1.891 7.564 3.854 1.00 0.00 N ATOM 1243 CA LEU A 82 1.001 7.104 2.762 1.00 0.00 C ATOM 1244 C LEU A 82 0.357 8.301 2.039 1.00 0.00 C ATOM 1245 O LEU A 82 0.072 8.238 0.838 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.093 6.135 3.285 1.00 0.00 C ATOM 1247 CG LEU A 82 0.405 4.799 3.920 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.779 3.917 4.359 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.344 4.028 2.965 1.00 0.00 C ATOM 0 H LEU A 82 1.548 7.339 4.788 1.00 0.00 H new ATOM 0 HA LEU A 82 1.618 6.557 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.690 6.664 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.758 5.892 2.456 1.00 0.00 H new ATOM 0 HG LEU A 82 0.981 5.058 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.402 2.993 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.377 4.452 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.398 3.681 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.670 3.104 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.812 3.792 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.214 4.643 2.735 1.00 0.00 H new ATOM 1261 N ASP A 83 0.135 9.384 2.796 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.371 10.659 2.257 1.00 0.00 C ATOM 1263 C ASP A 83 0.762 11.450 1.566 1.00 0.00 C ATOM 1264 O ASP A 83 0.507 12.259 0.680 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.010 11.489 3.400 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.556 12.859 2.947 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -2.629 12.907 2.301 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.920 13.899 3.235 1.00 0.00 O ATOM 0 H ASP A 83 0.301 9.403 3.802 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.133 10.450 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.823 10.913 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.267 11.645 4.182 1.00 0.00 H new ATOM 1273 N LEU A 84 2.023 11.219 1.994 1.00 0.00 N ATOM 1274 CA LEU A 84 3.215 11.851 1.372 1.00 0.00 C ATOM 1275 C LEU A 84 3.797 10.995 0.216 1.00 0.00 C ATOM 1276 O LEU A 84 4.909 11.262 -0.254 1.00 0.00 O ATOM 1277 CB LEU A 84 4.305 12.181 2.450 1.00 0.00 C ATOM 1278 CG LEU A 84 4.145 13.554 3.202 1.00 0.00 C ATOM 1279 CD1 LEU A 84 4.186 14.740 2.204 1.00 0.00 C ATOM 1280 CD2 LEU A 84 2.863 13.597 4.070 1.00 0.00 C ATOM 0 H LEU A 84 2.245 10.597 2.771 1.00 0.00 H new ATOM 0 HA LEU A 84 2.887 12.791 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.306 11.382 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.281 12.167 1.965 1.00 0.00 H new ATOM 0 HG LEU A 84 4.992 13.651 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.073 15.678 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.140 14.739 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.374 14.638 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.794 14.563 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.989 13.454 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.902 12.804 4.817 1.00 0.00 H new ATOM 1292 N LEU A 85 3.038 9.983 -0.247 1.00 0.00 N ATOM 1293 CA LEU A 85 3.404 9.193 -1.442 1.00 0.00 C ATOM 1294 C LEU A 85 3.031 9.948 -2.724 1.00 0.00 C ATOM 1295 O LEU A 85 2.042 10.699 -2.753 1.00 0.00 O ATOM 1296 CB LEU A 85 2.706 7.813 -1.426 1.00 0.00 C ATOM 1297 CG LEU A 85 3.134 6.848 -0.289 1.00 0.00 C ATOM 1298 CD1 LEU A 85 2.327 5.543 -0.348 1.00 0.00 C ATOM 1299 CD2 LEU A 85 4.657 6.581 -0.309 1.00 0.00 C ATOM 0 H LEU A 85 2.164 9.691 0.190 1.00 0.00 H new ATOM 0 HA LEU A 85 4.483 9.039 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.630 7.973 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.892 7.323 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 85 2.912 7.333 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.644 4.882 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.266 5.766 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.497 5.053 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.918 5.901 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.935 6.132 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.193 7.521 -0.181 1.00 0.00 H new ATOM 1311 N GLU A 86 3.829 9.728 -3.783 1.00 0.00 N ATOM 1312 CA GLU A 86 3.635 10.368 -5.098 1.00 0.00 C ATOM 1313 C GLU A 86 3.299 9.300 -6.155 1.00 0.00 C ATOM 1314 O GLU A 86 2.274 9.386 -6.839 1.00 0.00 O ATOM 1315 CB GLU A 86 4.918 11.143 -5.499 1.00 0.00 C ATOM 1316 CG GLU A 86 4.774 11.991 -6.783 1.00 0.00 C ATOM 1317 CD GLU A 86 6.082 12.679 -7.186 1.00 0.00 C ATOM 1318 OE1 GLU A 86 6.363 13.794 -6.699 1.00 0.00 O ATOM 1319 OE2 GLU A 86 6.842 12.103 -7.992 1.00 0.00 O ATOM 0 H GLU A 86 4.631 9.098 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 86 2.805 11.072 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.205 11.797 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.731 10.430 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.437 11.352 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.003 12.746 -6.630 1.00 0.00 H new ATOM 1326 N THR A 87 4.190 8.297 -6.281 1.00 0.00 N ATOM 1327 CA THR A 87 4.016 7.150 -7.197 1.00 0.00 C ATOM 1328 C THR A 87 3.988 5.842 -6.388 1.00 0.00 C ATOM 1329 O THR A 87 4.384 5.811 -5.209 1.00 0.00 O ATOM 1330 CB THR A 87 5.168 7.103 -8.252 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.428 6.992 -7.575 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.171 8.356 -9.156 1.00 0.00 C ATOM 0 H THR A 87 5.058 8.259 -5.746 1.00 0.00 H new ATOM 0 HA THR A 87 3.072 7.268 -7.728 1.00 0.00 H new ATOM 0 HB THR A 87 5.005 6.235 -8.891 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.152 6.961 -8.235 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.987 8.284 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.222 8.423 -9.689 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.306 9.247 -8.543 1.00 0.00 H new ATOM 1340 N VAL A 88 3.505 4.767 -7.019 1.00 0.00 N ATOM 1341 CA VAL A 88 3.364 3.456 -6.352 1.00 0.00 C ATOM 1342 C VAL A 88 4.760 2.854 -6.082 1.00 0.00 C ATOM 1343 O VAL A 88 4.925 2.031 -5.190 1.00 0.00 O ATOM 1344 CB VAL A 88 2.493 2.463 -7.203 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.087 1.212 -6.400 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.262 3.158 -7.816 1.00 0.00 C ATOM 0 H VAL A 88 3.203 4.773 -7.993 1.00 0.00 H new ATOM 0 HA VAL A 88 2.848 3.612 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 88 3.123 2.127 -8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.486 0.555 -7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.982 0.683 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.505 1.512 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.688 2.436 -8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.638 3.562 -7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.589 3.969 -8.467 1.00 0.00 H new ATOM 1356 N ASP A 89 5.761 3.302 -6.871 1.00 0.00 N ATOM 1357 CA ASP A 89 7.178 2.993 -6.633 1.00 0.00 C ATOM 1358 C ASP A 89 7.581 3.457 -5.224 1.00 0.00 C ATOM 1359 O ASP A 89 8.152 2.687 -4.459 1.00 0.00 O ATOM 1360 CB ASP A 89 8.053 3.679 -7.708 1.00 0.00 C ATOM 1361 CG ASP A 89 9.556 3.403 -7.532 1.00 0.00 C ATOM 1362 OD1 ASP A 89 10.005 2.288 -7.873 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.293 4.291 -7.051 1.00 0.00 O ATOM 0 H ASP A 89 5.603 3.888 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 89 7.332 1.916 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.740 3.337 -8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.881 4.755 -7.675 1.00 0.00 H new ATOM 1368 N GLU A 90 7.215 4.720 -4.897 1.00 0.00 N ATOM 1369 CA GLU A 90 7.430 5.317 -3.560 1.00 0.00 C ATOM 1370 C GLU A 90 6.790 4.457 -2.455 1.00 0.00 C ATOM 1371 O GLU A 90 7.373 4.313 -1.379 1.00 0.00 O ATOM 1372 CB GLU A 90 6.857 6.768 -3.509 1.00 0.00 C ATOM 1373 CG GLU A 90 7.582 7.780 -4.412 1.00 0.00 C ATOM 1374 CD GLU A 90 9.054 7.986 -4.007 1.00 0.00 C ATOM 1375 OE1 GLU A 90 9.311 8.671 -2.995 1.00 0.00 O ATOM 1376 OE2 GLU A 90 9.958 7.465 -4.691 1.00 0.00 O ATOM 0 H GLU A 90 6.762 5.353 -5.556 1.00 0.00 H new ATOM 0 HA GLU A 90 8.505 5.355 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.805 6.738 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.900 7.125 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.538 7.436 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.061 8.736 -4.372 1.00 0.00 H new ATOM 1383 N LEU A 91 5.589 3.903 -2.738 1.00 0.00 N ATOM 1384 CA LEU A 91 4.893 2.984 -1.804 1.00 0.00 C ATOM 1385 C LEU A 91 5.699 1.692 -1.574 1.00 0.00 C ATOM 1386 O LEU A 91 5.892 1.282 -0.431 1.00 0.00 O ATOM 1387 CB LEU A 91 3.463 2.636 -2.307 1.00 0.00 C ATOM 1388 CG LEU A 91 2.688 1.554 -1.473 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.549 1.945 0.020 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.317 1.257 -2.097 1.00 0.00 C ATOM 0 H LEU A 91 5.080 4.075 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 91 4.807 3.509 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.870 3.551 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.536 2.289 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 91 3.285 0.642 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.006 1.164 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.540 2.062 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.004 2.885 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.801 0.505 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.723 2.171 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.452 0.885 -3.112 1.00 0.00 H new ATOM 1402 N PHE A 92 6.160 1.067 -2.674 1.00 0.00 N ATOM 1403 CA PHE A 92 6.944 -0.189 -2.629 1.00 0.00 C ATOM 1404 C PHE A 92 8.250 0.006 -1.838 1.00 0.00 C ATOM 1405 O PHE A 92 8.699 -0.913 -1.146 1.00 0.00 O ATOM 1406 CB PHE A 92 7.236 -0.712 -4.071 1.00 0.00 C ATOM 1407 CG PHE A 92 6.089 -1.502 -4.725 1.00 0.00 C ATOM 1408 CD1 PHE A 92 4.791 -0.991 -4.781 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.308 -2.770 -5.272 1.00 0.00 C ATOM 1410 CE1 PHE A 92 3.763 -1.708 -5.367 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.279 -3.483 -5.856 1.00 0.00 C ATOM 1412 CZ PHE A 92 4.006 -2.952 -5.900 1.00 0.00 C ATOM 0 H PHE A 92 6.001 1.415 -3.619 1.00 0.00 H new ATOM 0 HA PHE A 92 6.349 -0.941 -2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.479 0.139 -4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.121 -1.347 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.586 -0.018 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.298 -3.199 -5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.768 -1.290 -5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.471 -4.458 -6.279 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.202 -3.513 -6.353 1.00 0.00 H new ATOM 1422 N GLN A 93 8.840 1.214 -1.949 1.00 0.00 N ATOM 1423 CA GLN A 93 10.070 1.571 -1.216 1.00 0.00 C ATOM 1424 C GLN A 93 9.753 1.857 0.260 1.00 0.00 C ATOM 1425 O GLN A 93 10.526 1.495 1.141 1.00 0.00 O ATOM 1426 CB GLN A 93 10.794 2.781 -1.878 1.00 0.00 C ATOM 1427 CG GLN A 93 11.126 2.578 -3.379 1.00 0.00 C ATOM 1428 CD GLN A 93 11.878 1.276 -3.704 1.00 0.00 C ATOM 1429 OE1 GLN A 93 11.658 0.671 -4.746 1.00 0.00 O ATOM 1430 NE2 GLN A 93 12.805 0.867 -2.842 1.00 0.00 N ATOM 0 H GLN A 93 8.481 1.962 -2.543 1.00 0.00 H new ATOM 0 HA GLN A 93 10.749 0.720 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.168 3.667 -1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.719 2.978 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.196 2.595 -3.948 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.725 3.422 -3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.967 1.390 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.353 0.030 -3.042 1.00 0.00 H new ATOM 1439 N LEU A 94 8.590 2.479 0.514 1.00 0.00 N ATOM 1440 CA LEU A 94 8.133 2.826 1.874 1.00 0.00 C ATOM 1441 C LEU A 94 7.972 1.545 2.711 1.00 0.00 C ATOM 1442 O LEU A 94 8.570 1.403 3.778 1.00 0.00 O ATOM 1443 CB LEU A 94 6.798 3.619 1.817 1.00 0.00 C ATOM 1444 CG LEU A 94 6.334 4.266 3.159 1.00 0.00 C ATOM 1445 CD1 LEU A 94 7.300 5.390 3.605 1.00 0.00 C ATOM 1446 CD2 LEU A 94 4.885 4.783 3.054 1.00 0.00 C ATOM 0 H LEU A 94 7.937 2.757 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 94 8.881 3.463 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.897 4.407 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.013 2.948 1.469 1.00 0.00 H new ATOM 0 HG LEU A 94 6.356 3.491 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.949 5.821 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.299 4.977 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.334 6.166 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.588 5.229 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.823 5.533 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.219 3.953 2.819 1.00 0.00 H new ATOM 1458 N VAL A 95 7.195 0.599 2.162 1.00 0.00 N ATOM 1459 CA VAL A 95 6.956 -0.721 2.770 1.00 0.00 C ATOM 1460 C VAL A 95 8.279 -1.509 2.900 1.00 0.00 C ATOM 1461 O VAL A 95 8.467 -2.227 3.875 1.00 0.00 O ATOM 1462 CB VAL A 95 5.897 -1.539 1.927 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.660 -2.963 2.495 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.562 -0.759 1.829 1.00 0.00 C ATOM 0 H VAL A 95 6.710 0.729 1.274 1.00 0.00 H new ATOM 0 HA VAL A 95 6.551 -0.569 3.771 1.00 0.00 H new ATOM 0 HB VAL A 95 6.310 -1.662 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.925 -3.482 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.598 -3.519 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.291 -2.890 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.845 -1.337 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.164 -0.591 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.736 0.201 1.342 1.00 0.00 H new ATOM 1474 N GLU A 96 9.194 -1.324 1.911 1.00 0.00 N ATOM 1475 CA GLU A 96 10.513 -1.999 1.877 1.00 0.00 C ATOM 1476 C GLU A 96 11.343 -1.679 3.135 1.00 0.00 C ATOM 1477 O GLU A 96 11.647 -2.583 3.907 1.00 0.00 O ATOM 1478 CB GLU A 96 11.305 -1.582 0.610 1.00 0.00 C ATOM 1479 CG GLU A 96 12.691 -2.236 0.468 1.00 0.00 C ATOM 1480 CD GLU A 96 13.533 -1.602 -0.652 1.00 0.00 C ATOM 1481 OE1 GLU A 96 13.289 -1.905 -1.837 1.00 0.00 O ATOM 1482 OE2 GLU A 96 14.436 -0.791 -0.351 1.00 0.00 O ATOM 0 H GLU A 96 9.035 -0.703 1.118 1.00 0.00 H new ATOM 0 HA GLU A 96 10.329 -3.073 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.711 -1.829 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.429 -0.499 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.227 -2.151 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.567 -3.300 0.266 1.00 0.00 H new ATOM 1489 N LYS A 97 11.682 -0.382 3.334 1.00 0.00 N ATOM 1490 CA LYS A 97 12.530 0.065 4.469 1.00 0.00 C ATOM 1491 C LYS A 97 11.865 -0.229 5.825 1.00 0.00 C ATOM 1492 O LYS A 97 12.542 -0.609 6.784 1.00 0.00 O ATOM 1493 CB LYS A 97 12.898 1.590 4.370 1.00 0.00 C ATOM 1494 CG LYS A 97 14.157 1.919 3.511 1.00 0.00 C ATOM 1495 CD LYS A 97 13.904 1.984 1.983 1.00 0.00 C ATOM 1496 CE LYS A 97 13.038 3.187 1.568 1.00 0.00 C ATOM 1497 NZ LYS A 97 13.529 4.470 2.128 1.00 0.00 N ATOM 0 H LYS A 97 11.381 0.376 2.722 1.00 0.00 H new ATOM 0 HA LYS A 97 13.454 -0.510 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.045 2.126 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.056 1.975 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.563 2.876 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.920 1.165 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.861 2.036 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.416 1.064 1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.017 3.255 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.012 3.021 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.042 5.262 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.337 4.499 3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.553 4.550 1.966 1.00 0.00 H new ATOM 1511 N HIS A 98 10.537 -0.042 5.881 1.00 0.00 N ATOM 1512 CA HIS A 98 9.749 -0.200 7.116 1.00 0.00 C ATOM 1513 C HIS A 98 9.549 -1.681 7.511 1.00 0.00 C ATOM 1514 O HIS A 98 9.338 -1.980 8.690 1.00 0.00 O ATOM 1515 CB HIS A 98 8.396 0.539 6.965 1.00 0.00 C ATOM 1516 CG HIS A 98 8.532 2.043 6.970 1.00 0.00 C ATOM 1517 ND1 HIS A 98 9.263 2.752 6.038 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.042 2.966 7.822 1.00 0.00 C ATOM 1519 CE1 HIS A 98 9.212 4.034 6.330 1.00 0.00 C ATOM 1520 NE2 HIS A 98 8.484 4.187 7.402 1.00 0.00 N ATOM 0 H HIS A 98 9.977 0.223 5.071 1.00 0.00 H new ATOM 0 HA HIS A 98 10.312 0.250 7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.922 0.227 6.034 1.00 0.00 H new ATOM 0 HB3 HIS A 98 7.733 0.239 7.777 1.00 0.00 H new ATOM 0 HD1 HIS A 98 9.764 2.346 5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.415 2.774 8.680 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.692 4.827 5.775 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.278 5.078 7.854 1.00 0.00 H new ATOM 1529 N ARG A 99 9.608 -2.595 6.529 1.00 0.00 N ATOM 1530 CA ARG A 99 9.545 -4.051 6.791 1.00 0.00 C ATOM 1531 C ARG A 99 10.964 -4.612 7.053 1.00 0.00 C ATOM 1532 O ARG A 99 11.139 -5.514 7.880 1.00 0.00 O ATOM 1533 CB ARG A 99 8.854 -4.809 5.618 1.00 0.00 C ATOM 1534 CG ARG A 99 8.645 -6.341 5.812 1.00 0.00 C ATOM 1535 CD ARG A 99 7.740 -6.716 7.018 1.00 0.00 C ATOM 1536 NE ARG A 99 8.418 -6.565 8.327 1.00 0.00 N ATOM 1537 CZ ARG A 99 8.021 -7.113 9.491 1.00 0.00 C ATOM 1538 NH1 ARG A 99 6.952 -7.903 9.559 1.00 0.00 N ATOM 1539 NH2 ARG A 99 8.722 -6.881 10.590 1.00 0.00 N ATOM 0 H ARG A 99 9.700 -2.355 5.542 1.00 0.00 H new ATOM 0 HA ARG A 99 8.940 -4.209 7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.881 -4.351 5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.447 -4.656 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.208 -6.754 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.618 -6.815 5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.849 -6.089 7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.406 -7.748 6.906 1.00 0.00 H new ATOM 0 HE ARG A 99 9.263 -5.994 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.413 -8.105 8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.672 -8.306 10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.554 -6.292 10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.430 -7.291 11.477 1.00 0.00 H new ATOM 1553 N ALA A 100 11.965 -4.055 6.351 1.00 0.00 N ATOM 1554 CA ALA A 100 13.377 -4.472 6.475 1.00 0.00 C ATOM 1555 C ALA A 100 13.965 -4.011 7.816 1.00 0.00 C ATOM 1556 O ALA A 100 14.831 -4.688 8.381 1.00 0.00 O ATOM 1557 CB ALA A 100 14.203 -3.929 5.296 1.00 0.00 C ATOM 0 H ALA A 100 11.820 -3.301 5.679 1.00 0.00 H new ATOM 0 HA ALA A 100 13.419 -5.561 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.241 -4.245 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.800 -4.316 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.154 -2.840 5.289 1.00 0.00 H new ATOM 1563 N ALA A 101 13.454 -2.858 8.309 1.00 0.00 N ATOM 1564 CA ALA A 101 13.881 -2.214 9.574 1.00 0.00 C ATOM 1565 C ALA A 101 15.398 -1.946 9.593 1.00 0.00 C ATOM 1566 O ALA A 101 16.039 -2.002 10.651 1.00 0.00 O ATOM 1567 CB ALA A 101 13.410 -3.046 10.790 1.00 0.00 C ATOM 0 H ALA A 101 12.719 -2.339 7.829 1.00 0.00 H new ATOM 0 HA ALA A 101 13.401 -1.237 9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.732 -2.559 11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.323 -3.121 10.780 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.843 -4.045 10.737 1.00 0.00 H new