USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 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 66 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot -110:sc= -0.0531 USER MOD Set 2.1: A 33 THR OG1 : rot 76:sc= 1.04 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -172:sc= 0.25 (180deg=-0.107) USER MOD Single : A 27 MET CE :methyl 143:sc= 0 (180deg=-1.18) USER MOD Single : A 30 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.1) USER MOD Single : A 36 SER OG : rot -25:sc= 0.311 USER MOD Single : A 39 SER OG : rot -69:sc= 0.866 USER MOD Single : A 47 SER OG : rot -140:sc= 0.249 USER MOD Single : A 50 SER OG : rot -130:sc= 0.315 USER MOD Single : A 52 MET CE :methyl -161:sc= 0 (180deg=-0.108) 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 68 LYS NZ :NH3+ 156:sc= 0.76 (180deg=0.385) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0073) USER MOD Single : A 87 THR OG1 : rot 168:sc= 0.0195 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS :FLIP no HD1:sc= 0 F(o=-0.73,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 6.237 -10.399 -3.183 1.00 0.00 N ATOM 393 CA MET A 27 6.008 -9.148 -2.436 1.00 0.00 C ATOM 394 C MET A 27 5.307 -8.103 -3.321 1.00 0.00 C ATOM 395 O MET A 27 4.321 -7.495 -2.902 1.00 0.00 O ATOM 396 CB MET A 27 7.351 -8.600 -1.897 1.00 0.00 C ATOM 397 CG MET A 27 7.238 -7.336 -1.026 1.00 0.00 C ATOM 398 SD MET A 27 6.812 -5.837 -1.951 1.00 0.00 S ATOM 399 CE MET A 27 6.473 -4.686 -0.623 1.00 0.00 C ATOM 0 HA MET A 27 5.354 -9.362 -1.591 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.837 -9.382 -1.314 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.003 -8.382 -2.743 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.483 -7.503 -0.258 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.186 -7.176 -0.512 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.833 -3.695 -0.900 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.399 -4.645 -0.443 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.981 -5.016 0.283 1.00 0.00 H new ATOM 409 N GLU A 28 5.828 -7.946 -4.552 1.00 0.00 N ATOM 410 CA GLU A 28 5.280 -7.016 -5.563 1.00 0.00 C ATOM 411 C GLU A 28 3.837 -7.399 -5.937 1.00 0.00 C ATOM 412 O GLU A 28 2.976 -6.533 -6.089 1.00 0.00 O ATOM 413 CB GLU A 28 6.181 -7.019 -6.828 1.00 0.00 C ATOM 414 CG GLU A 28 7.662 -6.655 -6.559 1.00 0.00 C ATOM 415 CD GLU A 28 8.481 -6.488 -7.845 1.00 0.00 C ATOM 416 OE1 GLU A 28 8.392 -5.414 -8.485 1.00 0.00 O ATOM 417 OE2 GLU A 28 9.185 -7.438 -8.250 1.00 0.00 O ATOM 0 H GLU A 28 6.645 -8.462 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 28 5.265 -6.013 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.140 -8.007 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.772 -6.314 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.704 -5.729 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.116 -7.432 -5.944 1.00 0.00 H new ATOM 424 N ASP A 29 3.602 -8.716 -6.053 1.00 0.00 N ATOM 425 CA ASP A 29 2.278 -9.287 -6.384 1.00 0.00 C ATOM 426 C ASP A 29 1.258 -8.980 -5.262 1.00 0.00 C ATOM 427 O ASP A 29 0.126 -8.576 -5.533 1.00 0.00 O ATOM 428 CB ASP A 29 2.416 -10.818 -6.602 1.00 0.00 C ATOM 429 CG ASP A 29 1.105 -11.517 -7.003 1.00 0.00 C ATOM 430 OD1 ASP A 29 0.695 -11.388 -8.173 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.476 -12.186 -6.151 1.00 0.00 O ATOM 0 H ASP A 29 4.326 -9.422 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 29 1.909 -8.831 -7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.162 -10.998 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.791 -11.272 -5.685 1.00 0.00 H new ATOM 436 N HIS A 30 1.712 -9.139 -3.999 1.00 0.00 N ATOM 437 CA HIS A 30 0.894 -8.878 -2.796 1.00 0.00 C ATOM 438 C HIS A 30 0.615 -7.373 -2.641 1.00 0.00 C ATOM 439 O HIS A 30 -0.484 -7.004 -2.259 1.00 0.00 O ATOM 440 CB HIS A 30 1.572 -9.439 -1.500 1.00 0.00 C ATOM 441 CG HIS A 30 1.385 -10.922 -1.262 1.00 0.00 C ATOM 442 ND1 HIS A 30 0.389 -11.423 -0.458 1.00 0.00 N ATOM 443 CD2 HIS A 30 2.080 -12.004 -1.693 1.00 0.00 C ATOM 444 CE1 HIS A 30 0.481 -12.735 -0.401 1.00 0.00 C ATOM 445 NE2 HIS A 30 1.497 -13.114 -1.142 1.00 0.00 N ATOM 0 H HIS A 30 2.659 -9.453 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.053 -9.400 -2.930 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.640 -9.227 -1.548 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.178 -8.897 -0.640 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -0.315 -10.863 0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.937 -11.992 -2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.169 -13.389 0.160 1.00 0.00 H new ATOM 454 N LEU A 31 1.612 -6.524 -2.984 1.00 0.00 N ATOM 455 CA LEU A 31 1.530 -5.053 -2.798 1.00 0.00 C ATOM 456 C LEU A 31 0.542 -4.425 -3.792 1.00 0.00 C ATOM 457 O LEU A 31 -0.200 -3.498 -3.451 1.00 0.00 O ATOM 458 CB LEU A 31 2.924 -4.379 -2.937 1.00 0.00 C ATOM 459 CG LEU A 31 2.962 -2.842 -2.616 1.00 0.00 C ATOM 460 CD1 LEU A 31 2.584 -2.561 -1.142 1.00 0.00 C ATOM 461 CD2 LEU A 31 4.331 -2.226 -2.959 1.00 0.00 C ATOM 0 H LEU A 31 2.492 -6.835 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 31 1.167 -4.879 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.623 -4.889 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.282 -4.530 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 31 2.214 -2.364 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.621 -1.488 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.576 -2.929 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.288 -3.068 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.320 -1.162 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.108 -2.719 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.535 -2.361 -4.021 1.00 0.00 H new ATOM 473 N LEU A 32 0.558 -4.931 -5.026 1.00 0.00 N ATOM 474 CA LEU A 32 -0.386 -4.509 -6.073 1.00 0.00 C ATOM 475 C LEU A 32 -1.819 -4.988 -5.747 1.00 0.00 C ATOM 476 O LEU A 32 -2.788 -4.297 -6.083 1.00 0.00 O ATOM 477 CB LEU A 32 0.096 -4.994 -7.477 1.00 0.00 C ATOM 478 CG LEU A 32 1.033 -4.015 -8.270 1.00 0.00 C ATOM 479 CD1 LEU A 32 2.288 -3.620 -7.456 1.00 0.00 C ATOM 480 CD2 LEU A 32 1.418 -4.617 -9.650 1.00 0.00 C ATOM 0 H LEU A 32 1.222 -5.643 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.414 -3.420 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.621 -5.941 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.783 -5.196 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 32 0.472 -3.097 -8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.906 -2.942 -8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.983 -3.124 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.861 -4.515 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.067 -3.922 -10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.942 -5.561 -9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.515 -4.791 -10.236 1.00 0.00 H new ATOM 492 N THR A 33 -1.939 -6.160 -5.084 1.00 0.00 N ATOM 493 CA THR A 33 -3.236 -6.667 -4.586 1.00 0.00 C ATOM 494 C THR A 33 -3.738 -5.811 -3.388 1.00 0.00 C ATOM 495 O THR A 33 -4.942 -5.593 -3.234 1.00 0.00 O ATOM 496 CB THR A 33 -3.153 -8.176 -4.178 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.659 -8.957 -5.278 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.523 -8.739 -3.748 1.00 0.00 C ATOM 0 H THR A 33 -1.150 -6.774 -4.881 1.00 0.00 H new ATOM 0 HA THR A 33 -3.952 -6.583 -5.404 1.00 0.00 H new ATOM 0 HB THR A 33 -2.474 -8.239 -3.328 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.692 -8.823 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.415 -9.789 -3.474 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.895 -8.177 -2.891 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.228 -8.650 -4.574 1.00 0.00 H new ATOM 506 N VAL A 34 -2.793 -5.321 -2.563 1.00 0.00 N ATOM 507 CA VAL A 34 -3.081 -4.362 -1.476 1.00 0.00 C ATOM 508 C VAL A 34 -3.762 -3.107 -2.055 1.00 0.00 C ATOM 509 O VAL A 34 -4.796 -2.653 -1.553 1.00 0.00 O ATOM 510 CB VAL A 34 -1.756 -3.969 -0.699 1.00 0.00 C ATOM 511 CG1 VAL A 34 -1.911 -2.688 0.142 1.00 0.00 C ATOM 512 CG2 VAL A 34 -1.256 -5.131 0.184 1.00 0.00 C ATOM 0 H VAL A 34 -1.808 -5.578 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.756 -4.836 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.009 -3.762 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.972 -2.470 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.173 -1.854 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.699 -2.831 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.346 -4.828 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.022 -5.388 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.046 -5.999 -0.441 1.00 0.00 H new ATOM 522 N LEU A 35 -3.176 -2.607 -3.145 1.00 0.00 N ATOM 523 CA LEU A 35 -3.652 -1.425 -3.866 1.00 0.00 C ATOM 524 C LEU A 35 -4.996 -1.682 -4.568 1.00 0.00 C ATOM 525 O LEU A 35 -5.828 -0.783 -4.605 1.00 0.00 O ATOM 526 CB LEU A 35 -2.573 -0.987 -4.880 1.00 0.00 C ATOM 527 CG LEU A 35 -1.280 -0.376 -4.250 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.116 -0.352 -5.263 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.567 1.044 -3.683 1.00 0.00 C ATOM 0 H LEU A 35 -2.341 -3.021 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.826 -0.625 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.292 -1.850 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.010 -0.253 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.973 -1.016 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.767 0.079 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.105 -1.369 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.397 0.251 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.655 1.453 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.909 1.695 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.338 0.980 -2.915 1.00 0.00 H new ATOM 541 N SER A 36 -5.199 -2.906 -5.108 1.00 0.00 N ATOM 542 CA SER A 36 -6.413 -3.252 -5.871 1.00 0.00 C ATOM 543 C SER A 36 -7.659 -3.294 -4.971 1.00 0.00 C ATOM 544 O SER A 36 -8.757 -2.901 -5.385 1.00 0.00 O ATOM 545 CB SER A 36 -6.230 -4.589 -6.634 1.00 0.00 C ATOM 546 OG SER A 36 -6.045 -5.698 -5.773 1.00 0.00 O ATOM 0 H SER A 36 -4.531 -3.672 -5.026 1.00 0.00 H new ATOM 0 HA SER A 36 -6.570 -2.463 -6.606 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.104 -4.765 -7.261 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.371 -4.506 -7.300 1.00 0.00 H new ATOM 0 HG SER A 36 -5.680 -5.390 -4.917 1.00 0.00 H new ATOM 552 N VAL A 37 -7.463 -3.766 -3.731 1.00 0.00 N ATOM 553 CA VAL A 37 -8.533 -3.865 -2.726 1.00 0.00 C ATOM 554 C VAL A 37 -8.743 -2.498 -2.030 1.00 0.00 C ATOM 555 O VAL A 37 -9.851 -2.188 -1.582 1.00 0.00 O ATOM 556 CB VAL A 37 -8.205 -4.999 -1.672 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.328 -5.162 -0.617 1.00 0.00 C ATOM 558 CG2 VAL A 37 -7.930 -6.347 -2.387 1.00 0.00 C ATOM 0 H VAL A 37 -6.556 -4.091 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.461 -4.136 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.305 -4.691 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.057 -5.952 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.457 -4.225 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.261 -5.424 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.707 -7.114 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.810 -6.641 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.080 -6.235 -3.060 1.00 0.00 H new ATOM 568 N ALA A 38 -7.670 -1.680 -1.972 1.00 0.00 N ATOM 569 CA ALA A 38 -7.712 -0.332 -1.364 1.00 0.00 C ATOM 570 C ALA A 38 -8.471 0.666 -2.263 1.00 0.00 C ATOM 571 O ALA A 38 -9.265 1.471 -1.769 1.00 0.00 O ATOM 572 CB ALA A 38 -6.287 0.174 -1.071 1.00 0.00 C ATOM 0 H ALA A 38 -6.754 -1.934 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.254 -0.407 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.338 1.167 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.793 -0.510 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.720 0.223 -2.001 1.00 0.00 H new ATOM 578 N SER A 39 -8.224 0.588 -3.584 1.00 0.00 N ATOM 579 CA SER A 39 -8.776 1.534 -4.572 1.00 0.00 C ATOM 580 C SER A 39 -10.124 1.030 -5.133 1.00 0.00 C ATOM 581 O SER A 39 -11.170 1.671 -4.945 1.00 0.00 O ATOM 582 CB SER A 39 -7.751 1.755 -5.714 1.00 0.00 C ATOM 583 OG SER A 39 -7.442 0.541 -6.390 1.00 0.00 O ATOM 0 H SER A 39 -7.635 -0.135 -3.997 1.00 0.00 H new ATOM 0 HA SER A 39 -8.964 2.486 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.151 2.476 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.837 2.185 -5.304 1.00 0.00 H new ATOM 0 HG SER A 39 -6.926 -0.042 -5.795 1.00 0.00 H new ATOM 589 N GLY A 40 -10.083 -0.125 -5.818 1.00 0.00 N ATOM 590 CA GLY A 40 -11.244 -0.677 -6.519 1.00 0.00 C ATOM 591 C GLY A 40 -10.846 -1.292 -7.857 1.00 0.00 C ATOM 592 O GLY A 40 -11.391 -2.334 -8.248 1.00 0.00 O ATOM 0 H GLY A 40 -9.243 -0.698 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.721 -1.434 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.980 0.110 -6.683 1.00 0.00 H new ATOM 596 N VAL A 41 -9.895 -0.633 -8.564 1.00 0.00 N ATOM 597 CA VAL A 41 -9.322 -1.143 -9.822 1.00 0.00 C ATOM 598 C VAL A 41 -8.462 -2.404 -9.551 1.00 0.00 C ATOM 599 O VAL A 41 -7.789 -2.458 -8.526 1.00 0.00 O ATOM 600 CB VAL A 41 -8.451 -0.043 -10.565 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.332 1.113 -11.099 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.308 0.499 -9.668 1.00 0.00 C ATOM 0 H VAL A 41 -9.508 0.265 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.154 -1.406 -10.475 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.987 -0.535 -11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.703 1.848 -11.602 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.063 0.718 -11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.851 1.589 -10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.739 1.249 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.732 0.951 -8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.649 -0.321 -9.384 1.00 0.00 H new ATOM 612 N PRO A 42 -8.488 -3.443 -10.454 1.00 0.00 N ATOM 613 CA PRO A 42 -7.643 -4.659 -10.308 1.00 0.00 C ATOM 614 C PRO A 42 -6.143 -4.334 -10.479 1.00 0.00 C ATOM 615 O PRO A 42 -5.789 -3.317 -11.093 1.00 0.00 O ATOM 616 CB PRO A 42 -8.170 -5.594 -11.430 1.00 0.00 C ATOM 617 CG PRO A 42 -8.736 -4.666 -12.456 1.00 0.00 C ATOM 618 CD PRO A 42 -9.343 -3.520 -11.677 1.00 0.00 C ATOM 0 HA PRO A 42 -7.711 -5.111 -9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.369 -6.205 -11.846 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.929 -6.279 -11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.960 -4.311 -13.134 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.488 -5.167 -13.066 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.317 -2.590 -12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.386 -3.712 -11.427 1.00 0.00 H new ATOM 626 N LYS A 43 -5.263 -5.211 -9.936 1.00 0.00 N ATOM 627 CA LYS A 43 -3.799 -4.993 -9.969 1.00 0.00 C ATOM 628 C LYS A 43 -3.223 -5.093 -11.388 1.00 0.00 C ATOM 629 O LYS A 43 -2.109 -4.623 -11.639 1.00 0.00 O ATOM 630 CB LYS A 43 -3.050 -5.930 -8.997 1.00 0.00 C ATOM 631 CG LYS A 43 -3.107 -7.444 -9.294 1.00 0.00 C ATOM 632 CD LYS A 43 -2.077 -8.233 -8.438 1.00 0.00 C ATOM 633 CE LYS A 43 -2.249 -9.752 -8.526 1.00 0.00 C ATOM 634 NZ LYS A 43 -3.532 -10.195 -7.928 1.00 0.00 N ATOM 0 H LYS A 43 -5.543 -6.074 -9.471 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.639 -3.970 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.003 -5.629 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.448 -5.767 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.111 -7.818 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.909 -7.616 -10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.070 -7.970 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.169 -7.924 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.208 -10.063 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.421 -10.242 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.554 -11.234 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.621 -9.805 -6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.323 -9.857 -8.513 1.00 0.00 H new ATOM 648 N GLU A 44 -3.994 -5.718 -12.290 1.00 0.00 N ATOM 649 CA GLU A 44 -3.705 -5.769 -13.734 1.00 0.00 C ATOM 650 C GLU A 44 -3.581 -4.341 -14.347 1.00 0.00 C ATOM 651 O GLU A 44 -2.818 -4.127 -15.296 1.00 0.00 O ATOM 652 CB GLU A 44 -4.825 -6.597 -14.430 1.00 0.00 C ATOM 653 CG GLU A 44 -4.652 -6.798 -15.949 1.00 0.00 C ATOM 654 CD GLU A 44 -5.709 -7.749 -16.549 1.00 0.00 C ATOM 655 OE1 GLU A 44 -6.790 -7.279 -16.957 1.00 0.00 O ATOM 656 OE2 GLU A 44 -5.469 -8.975 -16.592 1.00 0.00 O ATOM 0 H GLU A 44 -4.850 -6.211 -12.034 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.741 -6.252 -13.895 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.878 -7.577 -13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.781 -6.105 -14.252 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.714 -5.831 -16.449 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.657 -7.196 -16.148 1.00 0.00 H new ATOM 663 N GLU A 45 -4.332 -3.379 -13.774 1.00 0.00 N ATOM 664 CA GLU A 45 -4.299 -1.957 -14.179 1.00 0.00 C ATOM 665 C GLU A 45 -3.170 -1.191 -13.461 1.00 0.00 C ATOM 666 O GLU A 45 -2.691 -0.170 -13.959 1.00 0.00 O ATOM 667 CB GLU A 45 -5.675 -1.297 -13.875 1.00 0.00 C ATOM 668 CG GLU A 45 -6.878 -2.032 -14.493 1.00 0.00 C ATOM 669 CD GLU A 45 -6.803 -2.159 -16.028 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.163 -1.193 -16.731 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.384 -3.229 -16.537 1.00 0.00 O ATOM 0 H GLU A 45 -4.983 -3.567 -13.012 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.099 -1.911 -15.250 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.810 -1.247 -12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.662 -0.271 -14.243 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.947 -3.029 -14.057 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.793 -1.503 -14.225 1.00 0.00 H new ATOM 678 N ILE A 46 -2.751 -1.704 -12.297 1.00 0.00 N ATOM 679 CA ILE A 46 -1.797 -1.021 -11.399 1.00 0.00 C ATOM 680 C ILE A 46 -0.338 -1.351 -11.785 1.00 0.00 C ATOM 681 O ILE A 46 -0.029 -2.484 -12.169 1.00 0.00 O ATOM 682 CB ILE A 46 -2.088 -1.419 -9.902 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.597 -1.140 -9.569 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.142 -0.678 -8.909 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.051 -1.622 -8.213 1.00 0.00 C ATOM 0 H ILE A 46 -3.063 -2.609 -11.945 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.929 0.056 -11.506 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.889 -2.484 -9.784 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.775 -0.067 -9.635 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.215 -1.613 -10.332 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.376 -0.981 -7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.106 -0.933 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.281 0.398 -9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.106 -1.384 -8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.911 -2.701 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.465 -1.130 -7.437 1.00 0.00 H new ATOM 697 N SER A 47 0.537 -0.340 -11.667 1.00 0.00 N ATOM 698 CA SER A 47 1.968 -0.432 -12.000 1.00 0.00 C ATOM 699 C SER A 47 2.762 0.542 -11.102 1.00 0.00 C ATOM 700 O SER A 47 2.169 1.263 -10.292 1.00 0.00 O ATOM 701 CB SER A 47 2.165 -0.091 -13.505 1.00 0.00 C ATOM 702 OG SER A 47 3.521 -0.211 -13.904 1.00 0.00 O ATOM 0 H SER A 47 0.264 0.583 -11.331 1.00 0.00 H new ATOM 0 HA SER A 47 2.335 -1.443 -11.823 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.549 -0.755 -14.111 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.820 0.925 -13.695 1.00 0.00 H new ATOM 0 HG SER A 47 3.751 0.525 -14.508 1.00 0.00 H new ATOM 708 N ARG A 48 4.104 0.557 -11.244 1.00 0.00 N ATOM 709 CA ARG A 48 4.975 1.553 -10.569 1.00 0.00 C ATOM 710 C ARG A 48 4.771 2.955 -11.180 1.00 0.00 C ATOM 711 O ARG A 48 5.019 3.973 -10.519 1.00 0.00 O ATOM 712 CB ARG A 48 6.465 1.137 -10.672 1.00 0.00 C ATOM 713 CG ARG A 48 6.800 -0.193 -9.969 1.00 0.00 C ATOM 714 CD ARG A 48 8.296 -0.539 -10.015 1.00 0.00 C ATOM 715 NE ARG A 48 8.598 -1.743 -9.212 1.00 0.00 N ATOM 716 CZ ARG A 48 9.417 -1.781 -8.152 1.00 0.00 C ATOM 717 NH1 ARG A 48 9.965 -0.669 -7.677 1.00 0.00 N ATOM 718 NH2 ARG A 48 9.651 -2.930 -7.539 1.00 0.00 N ATOM 0 H ARG A 48 4.614 -0.111 -11.822 1.00 0.00 H new ATOM 0 HA ARG A 48 4.697 1.588 -9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.736 1.057 -11.725 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.082 1.927 -10.243 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.478 -0.139 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.233 -0.997 -10.437 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.601 -0.704 -11.048 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.877 0.304 -9.642 1.00 0.00 H new ATOM 0 HE ARG A 48 8.146 -2.615 -9.487 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.764 0.228 -8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.587 -0.711 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.208 -3.786 -7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.274 -2.960 -6.732 1.00 0.00 H new ATOM 732 N ASP A 49 4.314 2.970 -12.452 1.00 0.00 N ATOM 733 CA ASP A 49 3.980 4.206 -13.189 1.00 0.00 C ATOM 734 C ASP A 49 2.776 4.914 -12.550 1.00 0.00 C ATOM 735 O ASP A 49 2.689 6.145 -12.591 1.00 0.00 O ATOM 736 CB ASP A 49 3.643 3.895 -14.675 1.00 0.00 C ATOM 737 CG ASP A 49 4.746 3.115 -15.401 1.00 0.00 C ATOM 738 OD1 ASP A 49 5.846 3.668 -15.597 1.00 0.00 O ATOM 739 OD2 ASP A 49 4.516 1.949 -15.786 1.00 0.00 O ATOM 0 H ASP A 49 4.166 2.121 -12.997 1.00 0.00 H new ATOM 0 HA ASP A 49 4.854 4.856 -13.143 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.716 3.323 -14.717 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.464 4.832 -15.203 1.00 0.00 H new ATOM 744 N SER A 50 1.853 4.100 -11.978 1.00 0.00 N ATOM 745 CA SER A 50 0.603 4.575 -11.367 1.00 0.00 C ATOM 746 C SER A 50 0.902 5.536 -10.202 1.00 0.00 C ATOM 747 O SER A 50 1.406 5.123 -9.145 1.00 0.00 O ATOM 748 CB SER A 50 -0.244 3.374 -10.872 1.00 0.00 C ATOM 749 OG SER A 50 -0.473 2.443 -11.914 1.00 0.00 O ATOM 0 H SER A 50 1.965 3.087 -11.932 1.00 0.00 H new ATOM 0 HA SER A 50 0.033 5.116 -12.122 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.268 2.880 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.198 3.733 -10.486 1.00 0.00 H new ATOM 0 HG SER A 50 -1.428 2.229 -11.958 1.00 0.00 H new ATOM 755 N ARG A 51 0.658 6.827 -10.440 1.00 0.00 N ATOM 756 CA ARG A 51 0.662 7.841 -9.390 1.00 0.00 C ATOM 757 C ARG A 51 -0.684 7.811 -8.666 1.00 0.00 C ATOM 758 O ARG A 51 -1.695 7.354 -9.232 1.00 0.00 O ATOM 759 CB ARG A 51 0.976 9.254 -9.962 1.00 0.00 C ATOM 760 CG ARG A 51 2.428 9.410 -10.470 1.00 0.00 C ATOM 761 CD ARG A 51 2.829 10.876 -10.720 1.00 0.00 C ATOM 762 NE ARG A 51 4.253 10.975 -11.089 1.00 0.00 N ATOM 763 CZ ARG A 51 5.203 11.653 -10.416 1.00 0.00 C ATOM 764 NH1 ARG A 51 4.906 12.369 -9.336 1.00 0.00 N ATOM 765 NH2 ARG A 51 6.459 11.603 -10.832 1.00 0.00 N ATOM 0 H ARG A 51 0.452 7.196 -11.368 1.00 0.00 H new ATOM 0 HA ARG A 51 1.455 7.616 -8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.289 9.465 -10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.789 9.999 -9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.110 8.973 -9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.545 8.845 -11.395 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.213 11.295 -11.515 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.639 11.467 -9.824 1.00 0.00 H new ATOM 0 HE ARG A 51 4.547 10.484 -11.933 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.943 12.413 -9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.641 12.875 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.702 11.054 -11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.184 12.114 -10.328 1.00 0.00 H new ATOM 779 N MET A 52 -0.680 8.278 -7.408 1.00 0.00 N ATOM 780 CA MET A 52 -1.855 8.254 -6.538 1.00 0.00 C ATOM 781 C MET A 52 -2.907 9.261 -7.051 1.00 0.00 C ATOM 782 O MET A 52 -2.845 10.453 -6.751 1.00 0.00 O ATOM 783 CB MET A 52 -1.449 8.535 -5.060 1.00 0.00 C ATOM 784 CG MET A 52 -0.442 7.518 -4.479 1.00 0.00 C ATOM 785 SD MET A 52 -0.920 5.790 -4.736 1.00 0.00 S ATOM 786 CE MET A 52 0.397 4.906 -3.893 1.00 0.00 C ATOM 0 H MET A 52 0.146 8.684 -6.968 1.00 0.00 H new ATOM 0 HA MET A 52 -2.303 7.261 -6.563 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.018 9.534 -4.996 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.347 8.535 -4.442 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.534 7.687 -4.933 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.332 7.700 -3.410 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.426 3.875 -4.245 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.352 5.388 -4.103 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.214 4.918 -2.819 1.00 0.00 H new ATOM 796 N GLU A 53 -3.798 8.765 -7.929 1.00 0.00 N ATOM 797 CA GLU A 53 -4.919 9.542 -8.510 1.00 0.00 C ATOM 798 C GLU A 53 -6.248 9.162 -7.826 1.00 0.00 C ATOM 799 O GLU A 53 -7.236 9.898 -7.909 1.00 0.00 O ATOM 800 CB GLU A 53 -5.006 9.270 -10.034 1.00 0.00 C ATOM 801 CG GLU A 53 -5.238 7.785 -10.413 1.00 0.00 C ATOM 802 CD GLU A 53 -5.454 7.581 -11.920 1.00 0.00 C ATOM 803 OE1 GLU A 53 -6.606 7.724 -12.386 1.00 0.00 O ATOM 804 OE2 GLU A 53 -4.478 7.300 -12.649 1.00 0.00 O ATOM 0 H GLU A 53 -3.763 7.802 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.737 10.604 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.816 9.868 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.084 9.611 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.380 7.194 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.106 7.408 -9.872 1.00 0.00 H new ATOM 811 N ASP A 54 -6.232 7.998 -7.156 1.00 0.00 N ATOM 812 CA ASP A 54 -7.395 7.401 -6.470 1.00 0.00 C ATOM 813 C ASP A 54 -6.862 6.479 -5.364 1.00 0.00 C ATOM 814 O ASP A 54 -7.319 6.522 -4.211 1.00 0.00 O ATOM 815 CB ASP A 54 -8.273 6.601 -7.478 1.00 0.00 C ATOM 816 CG ASP A 54 -9.426 5.831 -6.805 1.00 0.00 C ATOM 817 OD1 ASP A 54 -10.394 6.478 -6.363 1.00 0.00 O ATOM 818 OD2 ASP A 54 -9.366 4.583 -6.709 1.00 0.00 O ATOM 0 H ASP A 54 -5.389 7.430 -7.073 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.023 8.181 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.687 7.289 -8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.642 5.896 -8.019 1.00 0.00 H new ATOM 823 N LEU A 55 -5.876 5.654 -5.769 1.00 0.00 N ATOM 824 CA LEU A 55 -5.088 4.790 -4.879 1.00 0.00 C ATOM 825 C LEU A 55 -4.378 5.673 -3.842 1.00 0.00 C ATOM 826 O LEU A 55 -3.693 6.598 -4.242 1.00 0.00 O ATOM 827 CB LEU A 55 -4.023 3.966 -5.679 1.00 0.00 C ATOM 828 CG LEU A 55 -4.495 3.302 -7.035 1.00 0.00 C ATOM 829 CD1 LEU A 55 -4.253 4.232 -8.258 1.00 0.00 C ATOM 830 CD2 LEU A 55 -3.835 1.922 -7.245 1.00 0.00 C ATOM 0 H LEU A 55 -5.602 5.571 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.760 4.084 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.182 4.624 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.648 3.176 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.572 3.151 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.592 3.734 -9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.808 5.161 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.189 4.454 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.180 1.493 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.752 2.038 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.106 1.260 -6.423 1.00 0.00 H new ATOM 842 N ALA A 56 -4.612 5.424 -2.542 1.00 0.00 N ATOM 843 CA ALA A 56 -4.003 6.192 -1.423 1.00 0.00 C ATOM 844 C ALA A 56 -4.224 7.725 -1.530 1.00 0.00 C ATOM 845 O ALA A 56 -3.487 8.501 -0.917 1.00 0.00 O ATOM 846 CB ALA A 56 -2.500 5.861 -1.313 1.00 0.00 C ATOM 0 H ALA A 56 -5.234 4.679 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.516 5.881 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.062 6.428 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.375 4.795 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.000 6.127 -2.244 1.00 0.00 H new ATOM 852 N PHE A 57 -5.255 8.161 -2.284 1.00 0.00 N ATOM 853 CA PHE A 57 -5.465 9.598 -2.590 1.00 0.00 C ATOM 854 C PHE A 57 -6.782 10.119 -1.974 1.00 0.00 C ATOM 855 O PHE A 57 -7.312 11.167 -2.361 1.00 0.00 O ATOM 856 CB PHE A 57 -5.408 9.797 -4.131 1.00 0.00 C ATOM 857 CG PHE A 57 -5.211 11.246 -4.584 1.00 0.00 C ATOM 858 CD1 PHE A 57 -4.035 11.927 -4.267 1.00 0.00 C ATOM 859 CD2 PHE A 57 -6.184 11.919 -5.328 1.00 0.00 C ATOM 860 CE1 PHE A 57 -3.839 13.229 -4.676 1.00 0.00 C ATOM 861 CE2 PHE A 57 -5.987 13.220 -5.734 1.00 0.00 C ATOM 862 CZ PHE A 57 -4.813 13.875 -5.410 1.00 0.00 C ATOM 0 H PHE A 57 -5.955 7.542 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.671 10.190 -2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.595 9.192 -4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.332 9.417 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.268 11.427 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.102 11.412 -5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.924 13.743 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.749 13.729 -6.305 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.658 14.894 -5.732 1.00 0.00 H new ATOM 872 N ASP A 58 -7.285 9.385 -0.980 1.00 0.00 N ATOM 873 CA ASP A 58 -8.431 9.804 -0.159 1.00 0.00 C ATOM 874 C ASP A 58 -8.238 9.240 1.244 1.00 0.00 C ATOM 875 O ASP A 58 -7.666 8.164 1.378 1.00 0.00 O ATOM 876 CB ASP A 58 -9.777 9.319 -0.768 1.00 0.00 C ATOM 877 CG ASP A 58 -11.008 9.727 0.076 1.00 0.00 C ATOM 878 OD1 ASP A 58 -11.475 10.870 -0.062 1.00 0.00 O ATOM 879 OD2 ASP A 58 -11.482 8.921 0.908 1.00 0.00 O ATOM 0 H ASP A 58 -6.908 8.475 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.476 10.893 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.882 9.727 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.755 8.234 -0.865 1.00 0.00 H new ATOM 884 N SER A 59 -8.746 9.963 2.255 1.00 0.00 N ATOM 885 CA SER A 59 -8.631 9.614 3.690 1.00 0.00 C ATOM 886 C SER A 59 -9.042 8.152 3.996 1.00 0.00 C ATOM 887 O SER A 59 -8.355 7.449 4.748 1.00 0.00 O ATOM 888 CB SER A 59 -9.487 10.608 4.504 1.00 0.00 C ATOM 889 OG SER A 59 -10.826 10.647 4.024 1.00 0.00 O ATOM 0 H SER A 59 -9.262 10.829 2.099 1.00 0.00 H new ATOM 0 HA SER A 59 -7.582 9.689 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.483 10.320 5.555 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.048 11.604 4.445 1.00 0.00 H new ATOM 0 HG SER A 59 -11.347 11.283 4.558 1.00 0.00 H new ATOM 895 N LEU A 60 -10.149 7.713 3.368 1.00 0.00 N ATOM 896 CA LEU A 60 -10.687 6.348 3.520 1.00 0.00 C ATOM 897 C LEU A 60 -9.766 5.314 2.835 1.00 0.00 C ATOM 898 O LEU A 60 -9.550 4.223 3.362 1.00 0.00 O ATOM 899 CB LEU A 60 -12.123 6.287 2.923 1.00 0.00 C ATOM 900 CG LEU A 60 -12.868 4.912 3.022 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.076 4.476 4.496 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.210 4.957 2.250 1.00 0.00 C ATOM 0 H LEU A 60 -10.698 8.298 2.738 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.731 6.101 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.732 7.041 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.067 6.569 1.872 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.235 4.158 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.596 3.518 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.108 4.377 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.671 5.226 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.710 3.992 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.848 5.733 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.018 5.178 1.200 1.00 0.00 H new ATOM 914 N VAL A 61 -9.209 5.696 1.670 1.00 0.00 N ATOM 915 CA VAL A 61 -8.359 4.805 0.838 1.00 0.00 C ATOM 916 C VAL A 61 -6.936 4.655 1.444 1.00 0.00 C ATOM 917 O VAL A 61 -6.292 3.614 1.281 1.00 0.00 O ATOM 918 CB VAL A 61 -8.287 5.327 -0.653 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.548 4.328 -1.577 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.709 5.623 -1.201 1.00 0.00 C ATOM 0 H VAL A 61 -9.332 6.628 1.274 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.820 3.818 0.830 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.714 6.254 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.520 4.724 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.530 4.183 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.073 3.373 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.636 5.981 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.306 4.711 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.185 6.385 -0.584 1.00 0.00 H new ATOM 930 N VAL A 62 -6.486 5.698 2.171 1.00 0.00 N ATOM 931 CA VAL A 62 -5.201 5.703 2.910 1.00 0.00 C ATOM 932 C VAL A 62 -5.322 4.808 4.153 1.00 0.00 C ATOM 933 O VAL A 62 -4.417 4.025 4.450 1.00 0.00 O ATOM 934 CB VAL A 62 -4.799 7.172 3.347 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.586 7.171 4.304 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.516 8.064 2.114 1.00 0.00 C ATOM 0 H VAL A 62 -7.007 6.570 2.264 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.423 5.319 2.250 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.649 7.590 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.340 8.196 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.830 6.601 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.730 6.715 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.243 9.066 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.697 7.637 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.409 8.118 1.492 1.00 0.00 H new ATOM 946 N SER A 63 -6.464 4.936 4.856 1.00 0.00 N ATOM 947 CA SER A 63 -6.794 4.100 6.018 1.00 0.00 C ATOM 948 C SER A 63 -6.867 2.624 5.601 1.00 0.00 C ATOM 949 O SER A 63 -6.334 1.749 6.284 1.00 0.00 O ATOM 950 CB SER A 63 -8.140 4.553 6.636 1.00 0.00 C ATOM 951 OG SER A 63 -8.500 3.758 7.761 1.00 0.00 O ATOM 0 H SER A 63 -7.182 5.624 4.631 1.00 0.00 H new ATOM 0 HA SER A 63 -6.012 4.213 6.768 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.068 5.598 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.925 4.492 5.882 1.00 0.00 H new ATOM 0 HG SER A 63 -9.353 4.074 8.125 1.00 0.00 H new ATOM 957 N GLU A 64 -7.507 2.392 4.441 1.00 0.00 N ATOM 958 CA GLU A 64 -7.685 1.055 3.859 1.00 0.00 C ATOM 959 C GLU A 64 -6.326 0.462 3.455 1.00 0.00 C ATOM 960 O GLU A 64 -6.090 -0.730 3.644 1.00 0.00 O ATOM 961 CB GLU A 64 -8.629 1.124 2.624 1.00 0.00 C ATOM 962 CG GLU A 64 -9.144 -0.242 2.122 1.00 0.00 C ATOM 963 CD GLU A 64 -10.029 -0.958 3.158 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.194 -0.544 3.337 1.00 0.00 O ATOM 965 OE2 GLU A 64 -9.562 -1.910 3.821 1.00 0.00 O ATOM 0 H GLU A 64 -7.918 3.136 3.878 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.139 0.408 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.486 1.749 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.101 1.619 1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.712 -0.097 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.294 -0.878 1.874 1.00 0.00 H new ATOM 972 N LEU A 65 -5.440 1.337 2.925 1.00 0.00 N ATOM 973 CA LEU A 65 -4.076 0.962 2.495 1.00 0.00 C ATOM 974 C LEU A 65 -3.238 0.499 3.701 1.00 0.00 C ATOM 975 O LEU A 65 -2.572 -0.523 3.628 1.00 0.00 O ATOM 976 CB LEU A 65 -3.362 2.154 1.783 1.00 0.00 C ATOM 977 CG LEU A 65 -1.948 1.842 1.182 1.00 0.00 C ATOM 978 CD1 LEU A 65 -2.039 0.822 0.031 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.230 3.127 0.717 1.00 0.00 C ATOM 0 H LEU A 65 -5.653 2.324 2.784 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.167 0.140 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.006 2.511 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.260 2.971 2.497 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.353 1.399 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.041 0.628 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.470 -0.108 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.671 1.223 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.253 2.870 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.827 3.620 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.101 3.799 1.565 1.00 0.00 H new ATOM 991 N SER A 66 -3.312 1.265 4.808 1.00 0.00 N ATOM 992 CA SER A 66 -2.539 0.998 6.044 1.00 0.00 C ATOM 993 C SER A 66 -2.975 -0.322 6.701 1.00 0.00 C ATOM 994 O SER A 66 -2.133 -1.118 7.108 1.00 0.00 O ATOM 995 CB SER A 66 -2.703 2.166 7.038 1.00 0.00 C ATOM 996 OG SER A 66 -1.877 2.001 8.184 1.00 0.00 O ATOM 0 H SER A 66 -3.910 2.089 4.873 1.00 0.00 H new ATOM 0 HA SER A 66 -1.488 0.907 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.454 3.104 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.746 2.237 7.348 1.00 0.00 H new ATOM 0 HG SER A 66 -2.303 2.425 8.958 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.305 -0.530 6.778 1.00 0.00 N ATOM 1003 CA LEU A 67 -4.915 -1.749 7.351 1.00 0.00 C ATOM 1004 C LEU A 67 -4.625 -2.982 6.475 1.00 0.00 C ATOM 1005 O LEU A 67 -4.508 -4.099 6.990 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.444 -1.550 7.521 1.00 0.00 C ATOM 1007 CG LEU A 67 -6.861 -0.448 8.554 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -8.384 -0.189 8.524 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -6.377 -0.807 9.986 1.00 0.00 C ATOM 0 H LEU A 67 -4.991 0.146 6.443 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.470 -1.925 8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.872 -1.297 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.886 -2.498 7.827 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.368 0.479 8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.637 0.581 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.677 0.144 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.914 -1.109 8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.681 -0.024 10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.819 -1.755 10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.291 -0.895 9.992 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.498 -2.749 5.155 1.00 0.00 N ATOM 1022 CA LYS A 68 -4.220 -3.811 4.169 1.00 0.00 C ATOM 1023 C LYS A 68 -2.760 -4.267 4.308 1.00 0.00 C ATOM 1024 O LYS A 68 -2.473 -5.462 4.367 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.509 -3.296 2.721 1.00 0.00 C ATOM 1026 CG LYS A 68 -4.964 -4.381 1.713 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.334 -4.990 2.089 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.444 -3.923 2.210 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.692 -4.478 2.801 1.00 0.00 N ATOM 0 H LYS A 68 -4.585 -1.820 4.742 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.874 -4.662 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.279 -2.526 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.608 -2.820 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.023 -3.946 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.216 -5.172 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.621 -5.724 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.243 -5.524 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.087 -3.098 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.662 -3.513 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.242 -3.710 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.258 -4.931 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.449 -5.182 3.527 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.861 -3.271 4.397 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.420 -3.478 4.644 1.00 0.00 C ATOM 1045 C LEU A 69 -0.194 -4.133 6.017 1.00 0.00 C ATOM 1046 O LEU A 69 0.747 -4.891 6.185 1.00 0.00 O ATOM 1047 CB LEU A 69 0.346 -2.122 4.585 1.00 0.00 C ATOM 1048 CG LEU A 69 0.423 -1.410 3.195 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.053 0.003 3.314 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.190 -2.274 2.175 1.00 0.00 C ATOM 0 H LEU A 69 -2.116 -2.288 4.299 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.038 -4.139 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.123 -1.437 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.364 -2.293 4.935 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.597 -1.284 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.091 0.469 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.448 0.616 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.063 -0.082 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.229 -1.756 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.204 -2.448 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.680 -3.229 2.051 1.00 0.00 H new ATOM 1062 N ARG A 70 -1.082 -3.812 6.977 1.00 0.00 N ATOM 1063 CA ARG A 70 -1.013 -4.284 8.379 1.00 0.00 C ATOM 1064 C ARG A 70 -1.252 -5.802 8.484 1.00 0.00 C ATOM 1065 O ARG A 70 -0.718 -6.458 9.383 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.049 -3.506 9.233 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.958 -3.717 10.763 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.949 -2.823 11.531 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.729 -2.891 12.987 1.00 0.00 N ATOM 1070 CZ ARG A 70 -2.790 -1.851 13.832 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -2.965 -0.613 13.382 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -2.631 -2.052 15.128 1.00 0.00 N ATOM 0 H ARG A 70 -1.883 -3.206 6.800 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.009 -4.093 8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.937 -2.442 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.049 -3.791 8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.158 -4.763 10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.943 -3.504 11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.844 -1.791 11.195 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.969 -3.131 11.302 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.512 -3.805 13.385 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.055 -0.442 12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.009 0.167 14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.463 -2.994 15.481 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.676 -1.265 15.775 1.00 0.00 H new ATOM 1086 N LYS A 71 -2.054 -6.348 7.556 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.386 -7.787 7.531 1.00 0.00 C ATOM 1088 C LYS A 71 -1.420 -8.549 6.617 1.00 0.00 C ATOM 1089 O LYS A 71 -0.861 -9.575 7.023 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.857 -7.992 7.084 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.870 -7.260 7.990 1.00 0.00 C ATOM 1092 CD LYS A 71 -6.343 -7.564 7.643 1.00 0.00 C ATOM 1093 CE LYS A 71 -7.326 -6.692 8.444 1.00 0.00 C ATOM 1094 NZ LYS A 71 -7.186 -6.870 9.911 1.00 0.00 N ATOM 0 H LYS A 71 -2.489 -5.811 6.806 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.278 -8.188 8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.972 -7.638 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.085 -9.058 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.685 -7.539 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.702 -6.186 7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.503 -7.402 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.550 -8.616 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.164 -5.644 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.346 -6.937 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.894 -6.286 10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.334 -7.870 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.232 -6.579 10.207 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.228 -8.021 5.393 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.378 -8.643 4.359 1.00 0.00 C ATOM 1110 C GLU A 72 1.098 -8.672 4.791 1.00 0.00 C ATOM 1111 O GLU A 72 1.727 -9.731 4.823 1.00 0.00 O ATOM 1112 CB GLU A 72 -0.516 -7.865 3.014 1.00 0.00 C ATOM 1113 CG GLU A 72 -1.920 -7.893 2.379 1.00 0.00 C ATOM 1114 CD GLU A 72 -2.358 -9.294 1.937 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -1.872 -9.777 0.891 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.183 -9.923 2.630 1.00 0.00 O ATOM 0 H GLU A 72 -1.660 -7.147 5.092 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.715 -9.671 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.232 -6.826 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.196 -8.278 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.643 -7.503 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.934 -7.226 1.517 1.00 0.00 H new ATOM 1123 N PHE A 73 1.624 -7.494 5.157 1.00 0.00 N ATOM 1124 CA PHE A 73 3.059 -7.299 5.448 1.00 0.00 C ATOM 1125 C PHE A 73 3.317 -7.044 6.945 1.00 0.00 C ATOM 1126 O PHE A 73 4.408 -7.297 7.420 1.00 0.00 O ATOM 1127 CB PHE A 73 3.604 -6.117 4.612 1.00 0.00 C ATOM 1128 CG PHE A 73 3.457 -6.314 3.098 1.00 0.00 C ATOM 1129 CD1 PHE A 73 4.273 -7.215 2.417 1.00 0.00 C ATOM 1130 CD2 PHE A 73 2.502 -5.613 2.363 1.00 0.00 C ATOM 1131 CE1 PHE A 73 4.145 -7.404 1.056 1.00 0.00 C ATOM 1132 CE2 PHE A 73 2.376 -5.803 0.999 1.00 0.00 C ATOM 1133 CZ PHE A 73 3.198 -6.699 0.346 1.00 0.00 C ATOM 0 H PHE A 73 1.068 -6.645 5.261 1.00 0.00 H new ATOM 0 HA PHE A 73 3.579 -8.218 5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.082 -5.206 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.658 -5.970 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.018 -7.775 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.852 -4.912 2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.788 -8.106 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.633 -5.249 0.444 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.099 -6.847 -0.719 1.00 0.00 H new ATOM 1143 N GLY A 74 2.305 -6.557 7.679 1.00 0.00 N ATOM 1144 CA GLY A 74 2.480 -6.113 9.078 1.00 0.00 C ATOM 1145 C GLY A 74 2.914 -4.647 9.187 1.00 0.00 C ATOM 1146 O GLY A 74 3.342 -4.201 10.255 1.00 0.00 O ATOM 0 H GLY A 74 1.352 -6.459 7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.543 -6.251 9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.224 -6.744 9.564 1.00 0.00 H new ATOM 1150 N VAL A 75 2.796 -3.898 8.071 1.00 0.00 N ATOM 1151 CA VAL A 75 3.181 -2.473 8.003 1.00 0.00 C ATOM 1152 C VAL A 75 1.969 -1.576 8.337 1.00 0.00 C ATOM 1153 O VAL A 75 0.969 -1.578 7.622 1.00 0.00 O ATOM 1154 CB VAL A 75 3.778 -2.106 6.583 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.114 -0.596 6.460 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.026 -2.971 6.277 1.00 0.00 C ATOM 0 H VAL A 75 2.431 -4.264 7.192 1.00 0.00 H new ATOM 0 HA VAL A 75 3.961 -2.296 8.743 1.00 0.00 H new ATOM 0 HB VAL A 75 3.008 -2.324 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.520 -0.393 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.208 -0.008 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.850 -0.324 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.422 -2.704 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.787 -2.793 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.748 -4.025 6.282 1.00 0.00 H new ATOM 1166 N THR A 76 2.075 -0.832 9.441 1.00 0.00 N ATOM 1167 CA THR A 76 1.046 0.107 9.907 1.00 0.00 C ATOM 1168 C THR A 76 1.713 1.275 10.652 1.00 0.00 C ATOM 1169 O THR A 76 2.923 1.240 10.929 1.00 0.00 O ATOM 1170 CB THR A 76 0.012 -0.608 10.837 1.00 0.00 C ATOM 1171 OG1 THR A 76 -1.084 0.268 11.137 1.00 0.00 O ATOM 1172 CG2 THR A 76 0.644 -1.123 12.149 1.00 0.00 C ATOM 0 H THR A 76 2.893 -0.865 10.049 1.00 0.00 H new ATOM 0 HA THR A 76 0.508 0.490 9.040 1.00 0.00 H new ATOM 0 HB THR A 76 -0.351 -1.477 10.288 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.043 0.533 12.080 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.120 -1.610 12.754 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.433 -1.838 11.917 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.066 -0.285 12.703 1.00 0.00 H new ATOM 1180 N GLY A 77 0.920 2.320 10.949 1.00 0.00 N ATOM 1181 CA GLY A 77 1.421 3.501 11.645 1.00 0.00 C ATOM 1182 C GLY A 77 2.061 4.507 10.701 1.00 0.00 C ATOM 1183 O GLY A 77 2.480 5.577 11.135 1.00 0.00 O ATOM 0 H GLY A 77 -0.072 2.363 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.600 3.980 12.178 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.152 3.195 12.394 1.00 0.00 H new ATOM 1187 N VAL A 78 2.128 4.153 9.405 1.00 0.00 N ATOM 1188 CA VAL A 78 2.707 4.988 8.335 1.00 0.00 C ATOM 1189 C VAL A 78 1.594 5.738 7.575 1.00 0.00 C ATOM 1190 O VAL A 78 1.841 6.268 6.501 1.00 0.00 O ATOM 1191 CB VAL A 78 3.556 4.097 7.338 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.783 3.472 8.050 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.682 2.996 6.668 1.00 0.00 C ATOM 0 H VAL A 78 1.774 3.259 9.064 1.00 0.00 H new ATOM 0 HA VAL A 78 3.370 5.724 8.790 1.00 0.00 H new ATOM 0 HB VAL A 78 3.922 4.753 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.346 2.866 7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.422 4.265 8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.445 2.844 8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.298 2.404 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.262 2.347 7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.873 3.465 6.107 1.00 0.00 H new ATOM 1203 N ASP A 79 0.399 5.821 8.202 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.847 6.364 7.605 1.00 0.00 C ATOM 1205 C ASP A 79 -0.629 7.754 6.963 1.00 0.00 C ATOM 1206 O ASP A 79 -0.922 7.961 5.783 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.962 6.458 8.689 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.347 5.112 9.335 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -1.500 4.493 10.017 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.505 4.668 9.177 1.00 0.00 O ATOM 0 H ASP A 79 0.269 5.504 9.163 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.153 5.678 6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.632 7.140 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.852 6.897 8.238 1.00 0.00 H new ATOM 1215 N ASP A 80 -0.073 8.680 7.766 1.00 0.00 N ATOM 1216 CA ASP A 80 0.221 10.067 7.339 1.00 0.00 C ATOM 1217 C ASP A 80 1.204 10.084 6.155 1.00 0.00 C ATOM 1218 O ASP A 80 1.047 10.854 5.208 1.00 0.00 O ATOM 1219 CB ASP A 80 0.799 10.875 8.530 1.00 0.00 C ATOM 1220 CG ASP A 80 1.173 12.326 8.166 1.00 0.00 C ATOM 1221 OD1 ASP A 80 0.263 13.174 8.090 1.00 0.00 O ATOM 1222 OD2 ASP A 80 2.371 12.619 7.935 1.00 0.00 O ATOM 0 H ASP A 80 0.187 8.490 8.734 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.709 10.530 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.068 10.889 9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.684 10.364 8.909 1.00 0.00 H new ATOM 1227 N GLU A 81 2.191 9.188 6.221 1.00 0.00 N ATOM 1228 CA GLU A 81 3.256 9.066 5.220 1.00 0.00 C ATOM 1229 C GLU A 81 2.718 8.459 3.899 1.00 0.00 C ATOM 1230 O GLU A 81 3.295 8.680 2.829 1.00 0.00 O ATOM 1231 CB GLU A 81 4.386 8.223 5.849 1.00 0.00 C ATOM 1232 CG GLU A 81 5.667 8.073 5.007 1.00 0.00 C ATOM 1233 CD GLU A 81 6.816 7.430 5.798 1.00 0.00 C ATOM 1234 OE1 GLU A 81 6.604 6.355 6.394 1.00 0.00 O ATOM 1235 OE2 GLU A 81 7.924 8.012 5.855 1.00 0.00 O ATOM 0 H GLU A 81 2.275 8.515 6.983 1.00 0.00 H new ATOM 0 HA GLU A 81 3.647 10.046 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.655 8.669 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.995 7.228 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.451 7.467 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.980 9.054 4.649 1.00 0.00 H new ATOM 1242 N LEU A 82 1.589 7.717 3.993 1.00 0.00 N ATOM 1243 CA LEU A 82 0.866 7.181 2.818 1.00 0.00 C ATOM 1244 C LEU A 82 0.158 8.319 2.060 1.00 0.00 C ATOM 1245 O LEU A 82 0.022 8.255 0.837 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.170 6.102 3.236 1.00 0.00 C ATOM 1247 CG LEU A 82 0.385 4.860 4.002 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.755 3.925 4.460 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.426 4.092 3.161 1.00 0.00 C ATOM 0 H LEU A 82 1.156 7.474 4.884 1.00 0.00 H new ATOM 0 HA LEU A 82 1.600 6.714 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.925 6.579 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.677 5.750 2.337 1.00 0.00 H new ATOM 0 HG LEU A 82 0.891 5.231 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.334 3.071 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.427 4.469 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.310 3.575 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.790 3.234 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.964 3.747 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.261 4.751 2.925 1.00 0.00 H new ATOM 1261 N ASP A 83 -0.310 9.343 2.814 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.831 10.605 2.223 1.00 0.00 C ATOM 1263 C ASP A 83 0.271 11.335 1.435 1.00 0.00 C ATOM 1264 O ASP A 83 0.013 11.902 0.367 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.386 11.563 3.311 1.00 0.00 C ATOM 1266 CG ASP A 83 -2.620 11.015 4.031 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -3.753 11.244 3.549 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -2.472 10.371 5.093 1.00 0.00 O ATOM 0 H ASP A 83 -0.338 9.322 3.833 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.643 10.326 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.604 11.760 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.638 12.518 2.850 1.00 0.00 H new ATOM 1273 N LEU A 84 1.496 11.328 1.997 1.00 0.00 N ATOM 1274 CA LEU A 84 2.685 11.949 1.366 1.00 0.00 C ATOM 1275 C LEU A 84 3.146 11.164 0.115 1.00 0.00 C ATOM 1276 O LEU A 84 3.809 11.734 -0.759 1.00 0.00 O ATOM 1277 CB LEU A 84 3.859 12.106 2.399 1.00 0.00 C ATOM 1278 CG LEU A 84 3.848 13.396 3.295 1.00 0.00 C ATOM 1279 CD1 LEU A 84 3.939 14.671 2.424 1.00 0.00 C ATOM 1280 CD2 LEU A 84 2.618 13.442 4.226 1.00 0.00 C ATOM 0 H LEU A 84 1.692 10.894 2.899 1.00 0.00 H new ATOM 0 HA LEU A 84 2.392 12.945 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.852 11.236 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.800 12.082 1.850 1.00 0.00 H new ATOM 0 HG LEU A 84 4.730 13.356 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.930 15.552 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.864 14.652 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.088 14.709 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.651 14.350 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.708 13.436 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.626 12.572 4.882 1.00 0.00 H new ATOM 1292 N LEU A 85 2.805 9.860 0.047 1.00 0.00 N ATOM 1293 CA LEU A 85 3.082 9.034 -1.147 1.00 0.00 C ATOM 1294 C LEU A 85 2.207 9.492 -2.323 1.00 0.00 C ATOM 1295 O LEU A 85 0.981 9.553 -2.202 1.00 0.00 O ATOM 1296 CB LEU A 85 2.831 7.531 -0.878 1.00 0.00 C ATOM 1297 CG LEU A 85 3.794 6.842 0.130 1.00 0.00 C ATOM 1298 CD1 LEU A 85 3.368 5.389 0.349 1.00 0.00 C ATOM 1299 CD2 LEU A 85 5.270 6.929 -0.332 1.00 0.00 C ATOM 0 H LEU A 85 2.339 9.358 0.802 1.00 0.00 H new ATOM 0 HA LEU A 85 4.135 9.165 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.811 7.415 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.891 6.999 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 85 3.729 7.374 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.047 4.913 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.354 5.363 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.399 4.854 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.910 6.436 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.378 6.437 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.562 7.975 -0.423 1.00 0.00 H new ATOM 1311 N GLU A 86 2.856 9.818 -3.446 1.00 0.00 N ATOM 1312 CA GLU A 86 2.174 10.197 -4.693 1.00 0.00 C ATOM 1313 C GLU A 86 2.528 9.171 -5.805 1.00 0.00 C ATOM 1314 O GLU A 86 2.148 9.333 -6.957 1.00 0.00 O ATOM 1315 CB GLU A 86 2.577 11.643 -5.101 1.00 0.00 C ATOM 1316 CG GLU A 86 1.667 12.280 -6.178 1.00 0.00 C ATOM 1317 CD GLU A 86 2.183 13.629 -6.688 1.00 0.00 C ATOM 1318 OE1 GLU A 86 3.138 13.638 -7.493 1.00 0.00 O ATOM 1319 OE2 GLU A 86 1.657 14.688 -6.279 1.00 0.00 O ATOM 0 H GLU A 86 3.873 9.827 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 86 1.094 10.184 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.565 12.275 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.603 11.631 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.576 11.593 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.667 12.414 -5.766 1.00 0.00 H new ATOM 1326 N THR A 87 3.250 8.090 -5.428 1.00 0.00 N ATOM 1327 CA THR A 87 3.729 7.044 -6.369 1.00 0.00 C ATOM 1328 C THR A 87 3.719 5.655 -5.697 1.00 0.00 C ATOM 1329 O THR A 87 4.022 5.518 -4.496 1.00 0.00 O ATOM 1330 CB THR A 87 5.188 7.360 -6.866 1.00 0.00 C ATOM 1331 OG1 THR A 87 5.984 7.726 -5.738 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.240 8.480 -7.931 1.00 0.00 C ATOM 0 H THR A 87 3.519 7.916 -4.460 1.00 0.00 H new ATOM 0 HA THR A 87 3.051 7.039 -7.222 1.00 0.00 H new ATOM 0 HB THR A 87 5.576 6.462 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.930 7.734 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.274 8.649 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.654 8.183 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.829 9.399 -7.513 1.00 0.00 H new ATOM 1340 N VAL A 88 3.376 4.627 -6.494 1.00 0.00 N ATOM 1341 CA VAL A 88 3.460 3.214 -6.080 1.00 0.00 C ATOM 1342 C VAL A 88 4.934 2.787 -5.895 1.00 0.00 C ATOM 1343 O VAL A 88 5.237 1.968 -5.031 1.00 0.00 O ATOM 1344 CB VAL A 88 2.738 2.287 -7.139 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.961 0.778 -6.869 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.224 2.604 -7.207 1.00 0.00 C ATOM 0 H VAL A 88 3.032 4.753 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 88 2.952 3.103 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 88 3.193 2.508 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.442 0.192 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.027 0.556 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.571 0.523 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.749 1.954 -7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.773 2.437 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.083 3.645 -7.498 1.00 0.00 H new ATOM 1356 N ASP A 89 5.838 3.379 -6.695 1.00 0.00 N ATOM 1357 CA ASP A 89 7.284 3.075 -6.646 1.00 0.00 C ATOM 1358 C ASP A 89 7.905 3.469 -5.281 1.00 0.00 C ATOM 1359 O ASP A 89 8.691 2.707 -4.700 1.00 0.00 O ATOM 1360 CB ASP A 89 8.002 3.787 -7.815 1.00 0.00 C ATOM 1361 CG ASP A 89 9.488 3.409 -7.936 1.00 0.00 C ATOM 1362 OD1 ASP A 89 9.786 2.203 -8.096 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.360 4.304 -7.896 1.00 0.00 O ATOM 0 H ASP A 89 5.590 4.080 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 89 7.416 1.998 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.494 3.541 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.918 4.865 -7.681 1.00 0.00 H new ATOM 1368 N GLU A 90 7.522 4.650 -4.764 1.00 0.00 N ATOM 1369 CA GLU A 90 7.947 5.106 -3.420 1.00 0.00 C ATOM 1370 C GLU A 90 7.250 4.292 -2.308 1.00 0.00 C ATOM 1371 O GLU A 90 7.806 4.147 -1.219 1.00 0.00 O ATOM 1372 CB GLU A 90 7.720 6.643 -3.246 1.00 0.00 C ATOM 1373 CG GLU A 90 8.898 7.543 -3.711 1.00 0.00 C ATOM 1374 CD GLU A 90 9.365 7.299 -5.165 1.00 0.00 C ATOM 1375 OE1 GLU A 90 8.807 7.911 -6.092 1.00 0.00 O ATOM 1376 OE2 GLU A 90 10.314 6.516 -5.383 1.00 0.00 O ATOM 0 H GLU A 90 6.918 5.310 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 90 9.018 4.926 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.826 6.927 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.521 6.848 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.601 8.587 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.743 7.386 -3.041 1.00 0.00 H new ATOM 1383 N LEU A 91 6.037 3.767 -2.591 1.00 0.00 N ATOM 1384 CA LEU A 91 5.359 2.802 -1.689 1.00 0.00 C ATOM 1385 C LEU A 91 6.179 1.493 -1.567 1.00 0.00 C ATOM 1386 O LEU A 91 6.276 0.924 -0.475 1.00 0.00 O ATOM 1387 CB LEU A 91 3.911 2.509 -2.174 1.00 0.00 C ATOM 1388 CG LEU A 91 3.103 1.427 -1.374 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.911 1.809 0.119 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.746 1.145 -2.051 1.00 0.00 C ATOM 0 H LEU A 91 5.507 3.993 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 91 5.295 3.253 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.348 3.442 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.959 2.195 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 91 3.697 0.513 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.346 1.026 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.886 1.918 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.367 2.751 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.204 0.392 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.160 2.064 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.914 0.780 -3.064 1.00 0.00 H new ATOM 1402 N PHE A 92 6.782 1.041 -2.699 1.00 0.00 N ATOM 1403 CA PHE A 92 7.659 -0.160 -2.736 1.00 0.00 C ATOM 1404 C PHE A 92 8.828 -0.021 -1.748 1.00 0.00 C ATOM 1405 O PHE A 92 8.983 -0.856 -0.847 1.00 0.00 O ATOM 1406 CB PHE A 92 8.220 -0.427 -4.169 1.00 0.00 C ATOM 1407 CG PHE A 92 7.310 -1.257 -5.069 1.00 0.00 C ATOM 1408 CD1 PHE A 92 7.286 -2.645 -4.948 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.486 -0.671 -6.026 1.00 0.00 C ATOM 1410 CE1 PHE A 92 6.472 -3.409 -5.753 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.678 -1.443 -6.829 1.00 0.00 C ATOM 1412 CZ PHE A 92 5.668 -2.809 -6.693 1.00 0.00 C ATOM 0 H PHE A 92 6.675 1.496 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 92 7.040 -1.008 -2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.411 0.531 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 92 9.180 -0.935 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.914 -3.127 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.481 0.403 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.465 -4.484 -5.646 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.049 -0.972 -7.570 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.030 -3.411 -7.323 1.00 0.00 H new ATOM 1422 N GLN A 93 9.640 1.050 -1.933 1.00 0.00 N ATOM 1423 CA GLN A 93 10.838 1.275 -1.094 1.00 0.00 C ATOM 1424 C GLN A 93 10.457 1.531 0.377 1.00 0.00 C ATOM 1425 O GLN A 93 11.231 1.198 1.273 1.00 0.00 O ATOM 1426 CB GLN A 93 11.723 2.439 -1.623 1.00 0.00 C ATOM 1427 CG GLN A 93 11.085 3.840 -1.549 1.00 0.00 C ATOM 1428 CD GLN A 93 12.087 4.969 -1.787 1.00 0.00 C ATOM 1429 OE1 GLN A 93 12.306 5.394 -2.916 1.00 0.00 O ATOM 1430 NE2 GLN A 93 12.715 5.452 -0.718 1.00 0.00 N ATOM 0 H GLN A 93 9.488 1.762 -2.647 1.00 0.00 H new ATOM 0 HA GLN A 93 11.424 0.358 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.654 2.452 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.984 2.232 -2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.287 3.909 -2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.624 3.972 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.509 5.076 0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.402 6.198 -0.824 1.00 0.00 H new ATOM 1439 N LEU A 94 9.260 2.116 0.604 1.00 0.00 N ATOM 1440 CA LEU A 94 8.761 2.408 1.959 1.00 0.00 C ATOM 1441 C LEU A 94 8.497 1.117 2.736 1.00 0.00 C ATOM 1442 O LEU A 94 9.062 0.919 3.812 1.00 0.00 O ATOM 1443 CB LEU A 94 7.476 3.285 1.922 1.00 0.00 C ATOM 1444 CG LEU A 94 6.868 3.643 3.323 1.00 0.00 C ATOM 1445 CD1 LEU A 94 7.916 4.336 4.230 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.591 4.505 3.191 1.00 0.00 C ATOM 0 H LEU A 94 8.621 2.395 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 94 9.539 2.973 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.704 4.212 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.717 2.764 1.337 1.00 0.00 H new ATOM 0 HG LEU A 94 6.580 2.705 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.464 4.572 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.765 3.669 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.257 5.256 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.201 4.731 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.831 5.434 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.840 3.958 2.622 1.00 0.00 H new ATOM 1458 N VAL A 95 7.645 0.247 2.170 1.00 0.00 N ATOM 1459 CA VAL A 95 7.244 -1.013 2.810 1.00 0.00 C ATOM 1460 C VAL A 95 8.470 -1.905 3.072 1.00 0.00 C ATOM 1461 O VAL A 95 8.652 -2.350 4.193 1.00 0.00 O ATOM 1462 CB VAL A 95 6.157 -1.789 1.966 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.802 -3.168 2.593 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.878 -0.927 1.801 1.00 0.00 C ATOM 0 H VAL A 95 7.216 0.398 1.257 1.00 0.00 H new ATOM 0 HA VAL A 95 6.787 -0.758 3.766 1.00 0.00 H new ATOM 0 HB VAL A 95 6.588 -1.979 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.051 -3.665 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.698 -3.787 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.408 -3.020 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.141 -1.478 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.465 -0.697 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.128 0.001 1.287 1.00 0.00 H new ATOM 1474 N GLU A 96 9.329 -2.086 2.049 1.00 0.00 N ATOM 1475 CA GLU A 96 10.516 -2.975 2.121 1.00 0.00 C ATOM 1476 C GLU A 96 11.570 -2.487 3.137 1.00 0.00 C ATOM 1477 O GLU A 96 12.073 -3.289 3.938 1.00 0.00 O ATOM 1478 CB GLU A 96 11.140 -3.152 0.706 1.00 0.00 C ATOM 1479 CG GLU A 96 10.311 -4.046 -0.243 1.00 0.00 C ATOM 1480 CD GLU A 96 10.208 -5.501 0.263 1.00 0.00 C ATOM 1481 OE1 GLU A 96 9.283 -5.816 1.050 1.00 0.00 O ATOM 1482 OE2 GLU A 96 11.068 -6.339 -0.102 1.00 0.00 O ATOM 0 H GLU A 96 9.223 -1.622 1.147 1.00 0.00 H new ATOM 0 HA GLU A 96 10.172 -3.944 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.261 -2.170 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.137 -3.580 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.310 -3.629 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.765 -4.040 -1.234 1.00 0.00 H new ATOM 1489 N LYS A 97 11.895 -1.182 3.111 1.00 0.00 N ATOM 1490 CA LYS A 97 12.895 -0.593 4.029 1.00 0.00 C ATOM 1491 C LYS A 97 12.400 -0.672 5.484 1.00 0.00 C ATOM 1492 O LYS A 97 13.122 -1.113 6.369 1.00 0.00 O ATOM 1493 CB LYS A 97 13.202 0.879 3.649 1.00 0.00 C ATOM 1494 CG LYS A 97 14.229 1.578 4.575 1.00 0.00 C ATOM 1495 CD LYS A 97 14.420 3.072 4.239 1.00 0.00 C ATOM 1496 CE LYS A 97 15.367 3.781 5.223 1.00 0.00 C ATOM 1497 NZ LYS A 97 15.404 5.244 4.992 1.00 0.00 N ATOM 0 H LYS A 97 11.480 -0.511 2.464 1.00 0.00 H new ATOM 0 HA LYS A 97 13.816 -1.169 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.576 0.907 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.272 1.447 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.901 1.482 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.189 1.067 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.815 3.166 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.451 3.570 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.045 3.582 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.372 3.371 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.053 5.687 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.736 5.434 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.450 5.639 5.115 1.00 0.00 H new ATOM 1511 N HIS A 98 11.139 -0.267 5.687 1.00 0.00 N ATOM 1512 CA HIS A 98 10.496 -0.199 7.010 1.00 0.00 C ATOM 1513 C HIS A 98 10.124 -1.603 7.546 1.00 0.00 C ATOM 1514 O HIS A 98 9.853 -1.759 8.740 1.00 0.00 O ATOM 1515 CB HIS A 98 9.256 0.724 6.910 1.00 0.00 C ATOM 1516 CG HIS A 98 8.516 0.944 8.200 1.00 0.00 C ATOM 1517 ND1 HIS A 98 7.230 0.713 8.530 1.00 0.00 N flip ATOM 1518 CD2 HIS A 98 9.116 1.446 9.331 1.00 0.00 C flip ATOM 1519 CE1 HIS A 98 7.080 1.085 9.836 1.00 0.00 C flip ATOM 1520 NE2 HIS A 98 8.231 1.515 10.298 1.00 0.00 N flip ATOM 0 H HIS A 98 10.526 0.027 4.927 1.00 0.00 H new ATOM 0 HA HIS A 98 11.201 0.218 7.730 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.574 1.692 6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.565 0.300 6.181 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.153 1.738 9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.160 1.033 10.399 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.408 1.846 11.246 1.00 0.00 H new ATOM 1529 N ARG A 99 10.080 -2.609 6.652 1.00 0.00 N ATOM 1530 CA ARG A 99 9.814 -4.012 7.030 1.00 0.00 C ATOM 1531 C ARG A 99 11.101 -4.664 7.562 1.00 0.00 C ATOM 1532 O ARG A 99 11.091 -5.341 8.597 1.00 0.00 O ATOM 1533 CB ARG A 99 9.279 -4.814 5.813 1.00 0.00 C ATOM 1534 CG ARG A 99 8.578 -6.152 6.142 1.00 0.00 C ATOM 1535 CD ARG A 99 7.225 -5.973 6.865 1.00 0.00 C ATOM 1536 NE ARG A 99 7.361 -5.610 8.299 1.00 0.00 N ATOM 1537 CZ ARG A 99 6.995 -6.377 9.337 1.00 0.00 C ATOM 1538 NH1 ARG A 99 6.488 -7.580 9.152 1.00 0.00 N ATOM 1539 NH2 ARG A 99 7.154 -5.935 10.574 1.00 0.00 N ATOM 0 H ARG A 99 10.227 -2.474 5.652 1.00 0.00 H new ATOM 0 HA ARG A 99 9.055 -4.022 7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.578 -4.183 5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.113 -5.018 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.417 -6.706 5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.238 -6.756 6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.650 -5.200 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.655 -6.899 6.786 1.00 0.00 H new ATOM 0 HE ARG A 99 7.768 -4.699 8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.368 -7.943 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.216 -8.148 9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.555 -5.011 10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.876 -6.518 11.364 1.00 0.00 H new ATOM 1553 N ALA A 100 12.202 -4.444 6.819 1.00 0.00 N ATOM 1554 CA ALA A 100 13.539 -4.968 7.158 1.00 0.00 C ATOM 1555 C ALA A 100 14.139 -4.228 8.367 1.00 0.00 C ATOM 1556 O ALA A 100 14.880 -4.809 9.165 1.00 0.00 O ATOM 1557 CB ALA A 100 14.452 -4.855 5.927 1.00 0.00 C ATOM 0 H ALA A 100 12.189 -3.894 5.960 1.00 0.00 H new ATOM 0 HA ALA A 100 13.449 -6.017 7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.442 -5.241 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.029 -5.434 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.533 -3.810 5.629 1.00 0.00 H new ATOM 1563 N ALA A 101 13.797 -2.939 8.482 1.00 0.00 N ATOM 1564 CA ALA A 101 14.203 -2.056 9.594 1.00 0.00 C ATOM 1565 C ALA A 101 12.947 -1.690 10.423 1.00 0.00 C ATOM 1566 O ALA A 101 11.964 -2.436 10.411 1.00 0.00 O ATOM 1567 CB ALA A 101 14.923 -0.815 9.022 1.00 0.00 C ATOM 0 H ALA A 101 13.216 -2.465 7.790 1.00 0.00 H new ATOM 0 HA ALA A 101 14.905 -2.557 10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.225 -0.160 9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.806 -1.131 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.248 -0.277 8.357 1.00 0.00 H new