USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 MET CE :methyl -161:sc= -0.0407 (180deg=-0.365) USER MOD Single : A 30 HIS : no HE2:sc= -0.0889 K(o=-0.089,f=-1.2) USER MOD Single : A 33 THR OG1 : rot 63:sc= 0.9 USER MOD Single : A 36 SER OG : rot 180:sc= -0.321 USER MOD Single : A 39 SER OG : rot 89:sc= -0.84 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 97:sc= 0.0228 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -129:sc= -2.17! (180deg=-4.28!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0293 (180deg=-0.214) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.063) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.966 X(o=-0.97,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 5.972 -10.494 -4.235 1.00 0.00 N ATOM 393 CA MET A 27 5.685 -9.400 -3.298 1.00 0.00 C ATOM 394 C MET A 27 5.097 -8.228 -4.075 1.00 0.00 C ATOM 395 O MET A 27 4.153 -7.587 -3.616 1.00 0.00 O ATOM 396 CB MET A 27 6.976 -8.988 -2.520 1.00 0.00 C ATOM 397 CG MET A 27 6.814 -7.848 -1.490 1.00 0.00 C ATOM 398 SD MET A 27 6.874 -6.197 -2.229 1.00 0.00 S ATOM 399 CE MET A 27 8.586 -6.064 -2.746 1.00 0.00 C ATOM 0 HA MET A 27 4.958 -9.729 -2.555 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.359 -9.867 -2.002 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.733 -8.690 -3.245 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.864 -7.971 -0.970 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.601 -7.931 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.840 -5.015 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.232 -6.486 -1.977 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.728 -6.610 -3.679 1.00 0.00 H new ATOM 409 N GLU A 28 5.648 -7.978 -5.285 1.00 0.00 N ATOM 410 CA GLU A 28 5.165 -6.916 -6.184 1.00 0.00 C ATOM 411 C GLU A 28 3.689 -7.135 -6.544 1.00 0.00 C ATOM 412 O GLU A 28 2.865 -6.229 -6.385 1.00 0.00 O ATOM 413 CB GLU A 28 6.056 -6.823 -7.452 1.00 0.00 C ATOM 414 CG GLU A 28 5.676 -5.664 -8.412 1.00 0.00 C ATOM 415 CD GLU A 28 6.693 -5.382 -9.534 1.00 0.00 C ATOM 416 OE1 GLU A 28 7.878 -5.762 -9.410 1.00 0.00 O ATOM 417 OE2 GLU A 28 6.314 -4.736 -10.538 1.00 0.00 O ATOM 0 H GLU A 28 6.436 -8.506 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 28 5.236 -5.962 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.094 -6.700 -7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.994 -7.766 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.712 -5.891 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.546 -4.755 -7.825 1.00 0.00 H new ATOM 424 N ASP A 29 3.378 -8.370 -6.972 1.00 0.00 N ATOM 425 CA ASP A 29 1.995 -8.851 -7.205 1.00 0.00 C ATOM 426 C ASP A 29 1.077 -8.552 -5.993 1.00 0.00 C ATOM 427 O ASP A 29 -0.065 -8.136 -6.165 1.00 0.00 O ATOM 428 CB ASP A 29 2.030 -10.387 -7.491 1.00 0.00 C ATOM 429 CG ASP A 29 0.644 -11.075 -7.442 1.00 0.00 C ATOM 430 OD1 ASP A 29 -0.147 -10.927 -8.393 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.337 -11.737 -6.425 1.00 0.00 O ATOM 0 H ASP A 29 4.086 -9.077 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 29 1.583 -8.322 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.470 -10.552 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.686 -10.865 -6.764 1.00 0.00 H new ATOM 436 N HIS A 30 1.627 -8.744 -4.779 1.00 0.00 N ATOM 437 CA HIS A 30 0.871 -8.643 -3.513 1.00 0.00 C ATOM 438 C HIS A 30 0.521 -7.182 -3.187 1.00 0.00 C ATOM 439 O HIS A 30 -0.572 -6.925 -2.705 1.00 0.00 O ATOM 440 CB HIS A 30 1.661 -9.300 -2.349 1.00 0.00 C ATOM 441 CG HIS A 30 2.067 -10.734 -2.611 1.00 0.00 C ATOM 442 ND1 HIS A 30 1.629 -11.465 -3.702 1.00 0.00 N ATOM 443 CD2 HIS A 30 2.914 -11.553 -1.940 1.00 0.00 C ATOM 444 CE1 HIS A 30 2.189 -12.650 -3.688 1.00 0.00 C ATOM 445 NE2 HIS A 30 2.971 -12.728 -2.634 1.00 0.00 N ATOM 0 H HIS A 30 2.612 -8.974 -4.647 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.066 -9.186 -3.637 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.556 -8.710 -2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.052 -9.265 -1.446 1.00 0.00 H new ATOM 0 HD1 HIS A 30 0.972 -11.133 -4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.444 -11.320 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.034 -13.430 -4.419 1.00 0.00 H new ATOM 454 N LEU A 31 1.446 -6.231 -3.460 1.00 0.00 N ATOM 455 CA LEU A 31 1.174 -4.774 -3.270 1.00 0.00 C ATOM 456 C LEU A 31 0.161 -4.270 -4.307 1.00 0.00 C ATOM 457 O LEU A 31 -0.632 -3.375 -4.015 1.00 0.00 O ATOM 458 CB LEU A 31 2.473 -3.905 -3.307 1.00 0.00 C ATOM 459 CG LEU A 31 3.291 -3.826 -1.972 1.00 0.00 C ATOM 460 CD1 LEU A 31 3.878 -5.185 -1.587 1.00 0.00 C ATOM 461 CD2 LEU A 31 4.397 -2.747 -2.043 1.00 0.00 C ATOM 0 H LEU A 31 2.382 -6.438 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 31 0.748 -4.664 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.126 -4.298 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.199 -2.892 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 31 2.591 -3.533 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.438 -5.089 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.071 -5.905 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.544 -5.531 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.942 -2.722 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.086 -2.985 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.944 -1.773 -2.226 1.00 0.00 H new ATOM 473 N LEU A 32 0.207 -4.852 -5.516 1.00 0.00 N ATOM 474 CA LEU A 32 -0.800 -4.598 -6.564 1.00 0.00 C ATOM 475 C LEU A 32 -2.183 -5.127 -6.122 1.00 0.00 C ATOM 476 O LEU A 32 -3.198 -4.531 -6.457 1.00 0.00 O ATOM 477 CB LEU A 32 -0.366 -5.225 -7.929 1.00 0.00 C ATOM 478 CG LEU A 32 0.488 -4.318 -8.880 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.831 -3.883 -8.249 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.703 -5.008 -10.248 1.00 0.00 C ATOM 0 H LEU A 32 0.937 -5.508 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.877 -3.520 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.203 -6.131 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.265 -5.529 -8.465 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.082 -3.403 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.378 -3.257 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.638 -3.319 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.424 -4.766 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.298 -4.361 -10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.226 -5.953 -10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.263 -5.197 -10.716 1.00 0.00 H new ATOM 492 N THR A 33 -2.194 -6.243 -5.361 1.00 0.00 N ATOM 493 CA THR A 33 -3.431 -6.832 -4.805 1.00 0.00 C ATOM 494 C THR A 33 -3.980 -5.949 -3.665 1.00 0.00 C ATOM 495 O THR A 33 -5.189 -5.744 -3.555 1.00 0.00 O ATOM 496 CB THR A 33 -3.201 -8.292 -4.280 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.577 -9.079 -5.302 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.514 -8.981 -3.858 1.00 0.00 C ATOM 0 H THR A 33 -1.349 -6.759 -5.116 1.00 0.00 H new ATOM 0 HA THR A 33 -4.159 -6.878 -5.615 1.00 0.00 H new ATOM 0 HB THR A 33 -2.562 -8.218 -3.400 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.694 -8.708 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.298 -9.989 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.985 -8.408 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.188 -9.034 -4.713 1.00 0.00 H new ATOM 506 N VAL A 34 -3.055 -5.422 -2.837 1.00 0.00 N ATOM 507 CA VAL A 34 -3.373 -4.494 -1.737 1.00 0.00 C ATOM 508 C VAL A 34 -4.080 -3.240 -2.291 1.00 0.00 C ATOM 509 O VAL A 34 -5.154 -2.865 -1.814 1.00 0.00 O ATOM 510 CB VAL A 34 -2.063 -4.111 -0.924 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.280 -2.904 0.009 1.00 0.00 C ATOM 512 CG2 VAL A 34 -1.521 -5.326 -0.121 1.00 0.00 C ATOM 0 H VAL A 34 -2.060 -5.631 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.053 -4.990 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.316 -3.821 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.354 -2.684 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.574 -2.036 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.065 -3.137 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.624 -5.031 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.280 -5.664 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.278 -6.137 -0.808 1.00 0.00 H new ATOM 522 N LEU A 35 -3.482 -2.645 -3.338 1.00 0.00 N ATOM 523 CA LEU A 35 -4.039 -1.473 -4.039 1.00 0.00 C ATOM 524 C LEU A 35 -5.305 -1.837 -4.829 1.00 0.00 C ATOM 525 O LEU A 35 -6.164 -0.986 -5.034 1.00 0.00 O ATOM 526 CB LEU A 35 -2.979 -0.861 -4.993 1.00 0.00 C ATOM 527 CG LEU A 35 -1.714 -0.247 -4.318 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.695 0.237 -5.379 1.00 0.00 C ATOM 529 CD2 LEU A 35 -2.097 0.897 -3.345 1.00 0.00 C ATOM 0 H LEU A 35 -2.594 -2.965 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.312 -0.736 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.654 -1.637 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.461 -0.084 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.236 -1.032 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.177 0.660 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.385 -0.606 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.158 0.998 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.194 1.305 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.614 1.684 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.752 0.508 -2.566 1.00 0.00 H new ATOM 541 N SER A 36 -5.407 -3.102 -5.274 1.00 0.00 N ATOM 542 CA SER A 36 -6.560 -3.584 -6.054 1.00 0.00 C ATOM 543 C SER A 36 -7.841 -3.578 -5.205 1.00 0.00 C ATOM 544 O SER A 36 -8.924 -3.233 -5.694 1.00 0.00 O ATOM 545 CB SER A 36 -6.294 -4.996 -6.638 1.00 0.00 C ATOM 546 OG SER A 36 -7.348 -5.432 -7.486 1.00 0.00 O ATOM 0 H SER A 36 -4.697 -3.815 -5.104 1.00 0.00 H new ATOM 0 HA SER A 36 -6.703 -2.898 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.359 -4.986 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.168 -5.707 -5.822 1.00 0.00 H new ATOM 0 HG SER A 36 -7.140 -6.324 -7.834 1.00 0.00 H new ATOM 552 N VAL A 37 -7.691 -3.940 -3.923 1.00 0.00 N ATOM 553 CA VAL A 37 -8.806 -3.992 -2.967 1.00 0.00 C ATOM 554 C VAL A 37 -9.019 -2.607 -2.302 1.00 0.00 C ATOM 555 O VAL A 37 -10.148 -2.251 -1.956 1.00 0.00 O ATOM 556 CB VAL A 37 -8.563 -5.120 -1.883 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.781 -5.281 -0.943 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.215 -6.476 -2.558 1.00 0.00 C ATOM 0 H VAL A 37 -6.793 -4.205 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.716 -4.245 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.713 -4.807 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.576 -6.064 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.967 -4.341 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.659 -5.552 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.053 -7.233 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.038 -6.783 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.309 -6.364 -3.154 1.00 0.00 H new ATOM 568 N ALA A 38 -7.929 -1.822 -2.154 1.00 0.00 N ATOM 569 CA ALA A 38 -7.967 -0.490 -1.491 1.00 0.00 C ATOM 570 C ALA A 38 -8.535 0.605 -2.422 1.00 0.00 C ATOM 571 O ALA A 38 -9.147 1.569 -1.950 1.00 0.00 O ATOM 572 CB ALA A 38 -6.559 -0.095 -1.000 1.00 0.00 C ATOM 0 H ALA A 38 -7.002 -2.087 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.637 -0.572 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.603 0.881 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.201 -0.837 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.877 -0.050 -1.849 1.00 0.00 H new ATOM 578 N SER A 39 -8.328 0.445 -3.744 1.00 0.00 N ATOM 579 CA SER A 39 -8.719 1.458 -4.756 1.00 0.00 C ATOM 580 C SER A 39 -9.922 0.985 -5.592 1.00 0.00 C ATOM 581 O SER A 39 -10.668 1.806 -6.138 1.00 0.00 O ATOM 582 CB SER A 39 -7.516 1.774 -5.675 1.00 0.00 C ATOM 583 OG SER A 39 -6.363 2.070 -4.908 1.00 0.00 O ATOM 0 H SER A 39 -7.888 -0.384 -4.143 1.00 0.00 H new ATOM 0 HA SER A 39 -9.019 2.364 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.317 0.923 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.757 2.619 -6.319 1.00 0.00 H new ATOM 0 HG SER A 39 -5.875 1.242 -4.718 1.00 0.00 H new ATOM 589 N GLY A 40 -10.093 -0.345 -5.708 1.00 0.00 N ATOM 590 CA GLY A 40 -11.188 -0.932 -6.491 1.00 0.00 C ATOM 591 C GLY A 40 -10.751 -1.365 -7.889 1.00 0.00 C ATOM 592 O GLY A 40 -11.343 -2.283 -8.464 1.00 0.00 O ATOM 0 H GLY A 40 -9.483 -1.033 -5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.588 -1.794 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.997 -0.206 -6.577 1.00 0.00 H new ATOM 596 N VAL A 41 -9.713 -0.701 -8.441 1.00 0.00 N ATOM 597 CA VAL A 41 -9.159 -1.030 -9.765 1.00 0.00 C ATOM 598 C VAL A 41 -8.358 -2.353 -9.696 1.00 0.00 C ATOM 599 O VAL A 41 -7.700 -2.603 -8.695 1.00 0.00 O ATOM 600 CB VAL A 41 -8.257 0.146 -10.305 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.088 1.437 -10.499 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.027 0.410 -9.392 1.00 0.00 C ATOM 0 H VAL A 41 -9.239 0.076 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.986 -1.163 -10.463 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.874 -0.166 -11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.443 2.232 -10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.887 1.251 -11.217 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.521 1.738 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.436 1.228 -9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.367 0.677 -8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.414 -0.489 -9.339 1.00 0.00 H new ATOM 612 N PRO A 42 -8.432 -3.246 -10.733 1.00 0.00 N ATOM 613 CA PRO A 42 -7.658 -4.518 -10.746 1.00 0.00 C ATOM 614 C PRO A 42 -6.137 -4.275 -10.914 1.00 0.00 C ATOM 615 O PRO A 42 -5.721 -3.181 -11.315 1.00 0.00 O ATOM 616 CB PRO A 42 -8.269 -5.285 -11.943 1.00 0.00 C ATOM 617 CG PRO A 42 -8.780 -4.216 -12.859 1.00 0.00 C ATOM 618 CD PRO A 42 -9.279 -3.109 -11.953 1.00 0.00 C ATOM 0 HA PRO A 42 -7.730 -5.071 -9.809 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.523 -5.907 -12.438 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.072 -5.947 -11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.992 -3.856 -13.520 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.581 -4.594 -13.494 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.161 -2.129 -12.415 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.338 -3.227 -11.722 1.00 0.00 H new ATOM 626 N LYS A 43 -5.332 -5.324 -10.639 1.00 0.00 N ATOM 627 CA LYS A 43 -3.847 -5.254 -10.646 1.00 0.00 C ATOM 628 C LYS A 43 -3.293 -4.863 -12.033 1.00 0.00 C ATOM 629 O LYS A 43 -2.174 -4.363 -12.138 1.00 0.00 O ATOM 630 CB LYS A 43 -3.233 -6.617 -10.239 1.00 0.00 C ATOM 631 CG LYS A 43 -3.737 -7.205 -8.902 1.00 0.00 C ATOM 632 CD LYS A 43 -3.010 -8.522 -8.516 1.00 0.00 C ATOM 633 CE LYS A 43 -3.065 -9.601 -9.619 1.00 0.00 C ATOM 634 NZ LYS A 43 -4.457 -9.957 -10.002 1.00 0.00 N ATOM 0 H LYS A 43 -5.692 -6.249 -10.404 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.569 -4.485 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.436 -7.337 -11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.150 -6.504 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.594 -6.470 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.808 -7.393 -8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.968 -8.299 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.457 -8.921 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.530 -9.243 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.547 -10.496 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.437 -10.685 -10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.963 -10.325 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.946 -9.111 -10.359 1.00 0.00 H new ATOM 648 N GLU A 44 -4.095 -5.119 -13.077 1.00 0.00 N ATOM 649 CA GLU A 44 -3.726 -4.880 -14.482 1.00 0.00 C ATOM 650 C GLU A 44 -3.663 -3.367 -14.785 1.00 0.00 C ATOM 651 O GLU A 44 -2.898 -2.930 -15.649 1.00 0.00 O ATOM 652 CB GLU A 44 -4.735 -5.584 -15.436 1.00 0.00 C ATOM 653 CG GLU A 44 -4.834 -7.130 -15.292 1.00 0.00 C ATOM 654 CD GLU A 44 -5.546 -7.605 -14.005 1.00 0.00 C ATOM 655 OE1 GLU A 44 -6.792 -7.573 -13.960 1.00 0.00 O ATOM 656 OE2 GLU A 44 -4.865 -8.005 -13.032 1.00 0.00 O ATOM 0 H GLU A 44 -5.033 -5.504 -12.968 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.735 -5.302 -14.650 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.724 -5.158 -15.267 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.458 -5.350 -16.464 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.365 -7.530 -16.156 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.828 -7.550 -15.313 1.00 0.00 H new ATOM 663 N GLU A 45 -4.479 -2.589 -14.048 1.00 0.00 N ATOM 664 CA GLU A 45 -4.500 -1.112 -14.129 1.00 0.00 C ATOM 665 C GLU A 45 -3.342 -0.490 -13.326 1.00 0.00 C ATOM 666 O GLU A 45 -3.072 0.715 -13.426 1.00 0.00 O ATOM 667 CB GLU A 45 -5.861 -0.576 -13.596 1.00 0.00 C ATOM 668 CG GLU A 45 -7.102 -1.156 -14.299 1.00 0.00 C ATOM 669 CD GLU A 45 -7.145 -0.863 -15.807 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.524 0.263 -16.191 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.808 -1.757 -16.614 1.00 0.00 O ATOM 0 H GLU A 45 -5.146 -2.967 -13.376 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.377 -0.827 -15.174 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.929 -0.794 -12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.875 0.509 -13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.126 -2.235 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.998 -0.748 -13.832 1.00 0.00 H new ATOM 678 N ILE A 46 -2.671 -1.330 -12.521 1.00 0.00 N ATOM 679 CA ILE A 46 -1.621 -0.905 -11.590 1.00 0.00 C ATOM 680 C ILE A 46 -0.247 -1.415 -12.084 1.00 0.00 C ATOM 681 O ILE A 46 -0.142 -2.485 -12.698 1.00 0.00 O ATOM 682 CB ILE A 46 -1.914 -1.473 -10.141 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.422 -1.268 -9.755 1.00 0.00 C ATOM 684 CG2 ILE A 46 -0.978 -0.828 -9.080 1.00 0.00 C ATOM 685 CD1 ILE A 46 -3.849 -1.918 -8.450 1.00 0.00 C ATOM 0 H ILE A 46 -2.847 -2.335 -12.501 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.607 0.184 -11.546 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.709 -2.543 -10.157 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.622 -0.198 -9.692 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.043 -1.662 -10.559 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.205 -1.239 -8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.060 -1.043 -9.332 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.132 0.251 -9.066 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.906 -1.719 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.688 -2.994 -8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.260 -1.508 -7.630 1.00 0.00 H new ATOM 697 N SER A 47 0.794 -0.623 -11.821 1.00 0.00 N ATOM 698 CA SER A 47 2.196 -0.998 -12.038 1.00 0.00 C ATOM 699 C SER A 47 3.024 -0.350 -10.927 1.00 0.00 C ATOM 700 O SER A 47 2.579 0.653 -10.340 1.00 0.00 O ATOM 701 CB SER A 47 2.666 -0.541 -13.443 1.00 0.00 C ATOM 702 OG SER A 47 2.417 0.843 -13.655 1.00 0.00 O ATOM 0 H SER A 47 0.685 0.318 -11.443 1.00 0.00 H new ATOM 0 HA SER A 47 2.319 -2.080 -12.002 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.732 -0.740 -13.553 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.152 -1.125 -14.207 1.00 0.00 H new ATOM 0 HG SER A 47 3.231 1.355 -13.464 1.00 0.00 H new ATOM 708 N ARG A 48 4.222 -0.903 -10.630 1.00 0.00 N ATOM 709 CA ARG A 48 5.063 -0.395 -9.522 1.00 0.00 C ATOM 710 C ARG A 48 5.566 1.032 -9.815 1.00 0.00 C ATOM 711 O ARG A 48 5.910 1.763 -8.898 1.00 0.00 O ATOM 712 CB ARG A 48 6.246 -1.338 -9.180 1.00 0.00 C ATOM 713 CG ARG A 48 7.425 -1.324 -10.171 1.00 0.00 C ATOM 714 CD ARG A 48 8.618 -2.137 -9.654 1.00 0.00 C ATOM 715 NE ARG A 48 9.779 -2.047 -10.557 1.00 0.00 N ATOM 716 CZ ARG A 48 11.043 -1.833 -10.166 1.00 0.00 C ATOM 717 NH1 ARG A 48 11.323 -1.599 -8.899 1.00 0.00 N ATOM 718 NH2 ARG A 48 12.026 -1.829 -11.053 1.00 0.00 N ATOM 0 H ARG A 48 4.625 -1.692 -11.136 1.00 0.00 H new ATOM 0 HA ARG A 48 4.423 -0.364 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.623 -1.073 -8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.865 -2.357 -9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.098 -1.728 -11.129 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.737 -0.295 -10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.900 -1.778 -8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.325 -3.181 -9.543 1.00 0.00 H new ATOM 0 HE ARG A 48 9.607 -2.156 -11.557 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.574 -1.580 -8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.288 -1.437 -8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.823 -1.989 -12.040 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.986 -1.666 -10.750 1.00 0.00 H new ATOM 732 N ASP A 49 5.605 1.416 -11.102 1.00 0.00 N ATOM 733 CA ASP A 49 5.891 2.797 -11.511 1.00 0.00 C ATOM 734 C ASP A 49 4.624 3.406 -12.128 1.00 0.00 C ATOM 735 O ASP A 49 4.350 3.232 -13.323 1.00 0.00 O ATOM 736 CB ASP A 49 7.090 2.878 -12.486 1.00 0.00 C ATOM 737 CG ASP A 49 7.476 4.334 -12.817 1.00 0.00 C ATOM 738 OD1 ASP A 49 7.822 5.087 -11.879 1.00 0.00 O ATOM 739 OD2 ASP A 49 7.426 4.735 -13.999 1.00 0.00 O ATOM 0 H ASP A 49 5.440 0.780 -11.882 1.00 0.00 H new ATOM 0 HA ASP A 49 6.178 3.372 -10.630 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.947 2.368 -12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.843 2.351 -13.408 1.00 0.00 H new ATOM 744 N SER A 50 3.839 4.074 -11.273 1.00 0.00 N ATOM 745 CA SER A 50 2.581 4.726 -11.657 1.00 0.00 C ATOM 746 C SER A 50 2.222 5.795 -10.611 1.00 0.00 C ATOM 747 O SER A 50 2.728 5.776 -9.474 1.00 0.00 O ATOM 748 CB SER A 50 1.441 3.679 -11.795 1.00 0.00 C ATOM 749 OG SER A 50 0.233 4.270 -12.260 1.00 0.00 O ATOM 0 H SER A 50 4.063 4.178 -10.283 1.00 0.00 H new ATOM 0 HA SER A 50 2.706 5.207 -12.627 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.750 2.894 -12.485 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.265 3.204 -10.830 1.00 0.00 H new ATOM 0 HG SER A 50 -0.460 3.581 -12.336 1.00 0.00 H new ATOM 755 N ARG A 51 1.345 6.724 -11.013 1.00 0.00 N ATOM 756 CA ARG A 51 0.883 7.828 -10.158 1.00 0.00 C ATOM 757 C ARG A 51 -0.292 7.379 -9.269 1.00 0.00 C ATOM 758 O ARG A 51 -1.275 6.817 -9.759 1.00 0.00 O ATOM 759 CB ARG A 51 0.453 9.029 -11.040 1.00 0.00 C ATOM 760 CG ARG A 51 1.597 9.719 -11.806 1.00 0.00 C ATOM 761 CD ARG A 51 2.664 10.307 -10.869 1.00 0.00 C ATOM 762 NE ARG A 51 2.087 11.242 -9.884 1.00 0.00 N ATOM 763 CZ ARG A 51 2.772 11.872 -8.914 1.00 0.00 C ATOM 764 NH1 ARG A 51 4.088 11.728 -8.789 1.00 0.00 N ATOM 765 NH2 ARG A 51 2.126 12.650 -8.060 1.00 0.00 N ATOM 0 H ARG A 51 0.933 6.732 -11.946 1.00 0.00 H new ATOM 0 HA ARG A 51 1.705 8.131 -9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.289 8.684 -11.760 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.037 9.768 -10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.065 9.000 -12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.186 10.515 -12.427 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.171 9.497 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.419 10.825 -11.461 1.00 0.00 H new ATOM 0 HE ARG A 51 1.085 11.425 -9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.599 11.129 -9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.586 12.216 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.116 12.768 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.638 13.132 -7.321 1.00 0.00 H new ATOM 779 N MET A 52 -0.176 7.651 -7.960 1.00 0.00 N ATOM 780 CA MET A 52 -1.244 7.412 -6.967 1.00 0.00 C ATOM 781 C MET A 52 -2.163 8.648 -6.868 1.00 0.00 C ATOM 782 O MET A 52 -2.388 9.208 -5.785 1.00 0.00 O ATOM 783 CB MET A 52 -0.614 7.056 -5.587 1.00 0.00 C ATOM 784 CG MET A 52 0.007 5.659 -5.503 1.00 0.00 C ATOM 785 SD MET A 52 0.841 5.380 -3.923 1.00 0.00 S ATOM 786 CE MET A 52 0.705 3.604 -3.742 1.00 0.00 C ATOM 0 H MET A 52 0.671 8.048 -7.553 1.00 0.00 H new ATOM 0 HA MET A 52 -1.855 6.568 -7.286 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.154 7.794 -5.353 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.383 7.143 -4.820 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.771 4.908 -5.639 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.721 5.530 -6.317 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.298 3.369 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.043 3.209 -4.513 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.691 3.151 -3.844 1.00 0.00 H new ATOM 796 N GLU A 53 -2.719 9.039 -8.032 1.00 0.00 N ATOM 797 CA GLU A 53 -3.696 10.140 -8.147 1.00 0.00 C ATOM 798 C GLU A 53 -5.053 9.734 -7.540 1.00 0.00 C ATOM 799 O GLU A 53 -5.901 10.586 -7.252 1.00 0.00 O ATOM 800 CB GLU A 53 -3.868 10.539 -9.642 1.00 0.00 C ATOM 801 CG GLU A 53 -2.554 10.907 -10.363 1.00 0.00 C ATOM 802 CD GLU A 53 -1.761 12.026 -9.656 1.00 0.00 C ATOM 803 OE1 GLU A 53 -2.145 13.205 -9.796 1.00 0.00 O ATOM 804 OE2 GLU A 53 -0.765 11.731 -8.951 1.00 0.00 O ATOM 0 H GLU A 53 -2.501 8.597 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.320 10.998 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.340 9.712 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.550 11.387 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.927 10.018 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.782 11.221 -11.381 1.00 0.00 H new ATOM 811 N ASP A 54 -5.228 8.418 -7.356 1.00 0.00 N ATOM 812 CA ASP A 54 -6.434 7.817 -6.762 1.00 0.00 C ATOM 813 C ASP A 54 -6.062 6.606 -5.874 1.00 0.00 C ATOM 814 O ASP A 54 -6.721 6.342 -4.862 1.00 0.00 O ATOM 815 CB ASP A 54 -7.410 7.405 -7.899 1.00 0.00 C ATOM 816 CG ASP A 54 -8.707 6.744 -7.396 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.515 7.433 -6.743 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.929 5.542 -7.658 1.00 0.00 O ATOM 0 H ASP A 54 -4.524 7.728 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.927 8.548 -6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.667 8.289 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.899 6.716 -8.572 1.00 0.00 H new ATOM 823 N LEU A 55 -4.958 5.917 -6.242 1.00 0.00 N ATOM 824 CA LEU A 55 -4.570 4.601 -5.673 1.00 0.00 C ATOM 825 C LEU A 55 -4.012 4.688 -4.235 1.00 0.00 C ATOM 826 O LEU A 55 -3.825 3.651 -3.587 1.00 0.00 O ATOM 827 CB LEU A 55 -3.562 3.868 -6.603 1.00 0.00 C ATOM 828 CG LEU A 55 -4.055 3.600 -8.075 1.00 0.00 C ATOM 829 CD1 LEU A 55 -3.786 4.799 -9.016 1.00 0.00 C ATOM 830 CD2 LEU A 55 -3.465 2.295 -8.644 1.00 0.00 C ATOM 0 H LEU A 55 -4.305 6.259 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.491 4.021 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.645 4.456 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.305 2.912 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.137 3.478 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.144 4.563 -10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.308 5.679 -8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.715 5.000 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.828 2.145 -9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.377 2.361 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.772 1.455 -8.021 1.00 0.00 H new ATOM 842 N ALA A 56 -3.749 5.913 -3.757 1.00 0.00 N ATOM 843 CA ALA A 56 -3.362 6.184 -2.353 1.00 0.00 C ATOM 844 C ALA A 56 -3.601 7.666 -2.038 1.00 0.00 C ATOM 845 O ALA A 56 -2.882 8.267 -1.230 1.00 0.00 O ATOM 846 CB ALA A 56 -1.891 5.792 -2.099 1.00 0.00 C ATOM 0 H ALA A 56 -3.797 6.753 -4.333 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.977 5.576 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.633 6.001 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.758 4.729 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.242 6.369 -2.758 1.00 0.00 H new ATOM 852 N PHE A 57 -4.644 8.246 -2.666 1.00 0.00 N ATOM 853 CA PHE A 57 -4.898 9.696 -2.606 1.00 0.00 C ATOM 854 C PHE A 57 -5.977 10.025 -1.561 1.00 0.00 C ATOM 855 O PHE A 57 -5.702 10.738 -0.593 1.00 0.00 O ATOM 856 CB PHE A 57 -5.295 10.227 -4.005 1.00 0.00 C ATOM 857 CG PHE A 57 -5.380 11.755 -4.098 1.00 0.00 C ATOM 858 CD1 PHE A 57 -4.229 12.515 -4.315 1.00 0.00 C ATOM 859 CD2 PHE A 57 -6.599 12.425 -3.972 1.00 0.00 C ATOM 860 CE1 PHE A 57 -4.293 13.896 -4.386 1.00 0.00 C ATOM 861 CE2 PHE A 57 -6.660 13.800 -4.044 1.00 0.00 C ATOM 862 CZ PHE A 57 -5.510 14.537 -4.259 1.00 0.00 C ATOM 0 H PHE A 57 -5.325 7.728 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.980 10.195 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.569 9.870 -4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.261 9.803 -4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.276 12.019 -4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.505 11.858 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.392 14.472 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -7.609 14.303 -3.932 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.563 15.614 -4.328 1.00 0.00 H new ATOM 872 N ASP A 58 -7.202 9.508 -1.769 1.00 0.00 N ATOM 873 CA ASP A 58 -8.362 9.803 -0.894 1.00 0.00 C ATOM 874 C ASP A 58 -8.175 9.216 0.516 1.00 0.00 C ATOM 875 O ASP A 58 -7.501 8.199 0.682 1.00 0.00 O ATOM 876 CB ASP A 58 -9.672 9.272 -1.530 1.00 0.00 C ATOM 877 CG ASP A 58 -10.923 9.532 -0.672 1.00 0.00 C ATOM 878 OD1 ASP A 58 -11.312 10.705 -0.528 1.00 0.00 O ATOM 879 OD2 ASP A 58 -11.503 8.581 -0.124 1.00 0.00 O ATOM 0 H ASP A 58 -7.419 8.878 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.431 10.886 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.807 9.739 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.575 8.200 -1.700 1.00 0.00 H new ATOM 884 N SER A 59 -8.821 9.866 1.500 1.00 0.00 N ATOM 885 CA SER A 59 -8.761 9.514 2.931 1.00 0.00 C ATOM 886 C SER A 59 -9.099 8.032 3.193 1.00 0.00 C ATOM 887 O SER A 59 -8.428 7.369 3.992 1.00 0.00 O ATOM 888 CB SER A 59 -9.741 10.417 3.700 1.00 0.00 C ATOM 889 OG SER A 59 -9.557 11.775 3.341 1.00 0.00 O ATOM 0 H SER A 59 -9.416 10.674 1.317 1.00 0.00 H new ATOM 0 HA SER A 59 -7.738 9.668 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.766 10.115 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.590 10.295 4.773 1.00 0.00 H new ATOM 0 HG SER A 59 -10.190 12.334 3.839 1.00 0.00 H new ATOM 895 N LEU A 60 -10.146 7.537 2.498 1.00 0.00 N ATOM 896 CA LEU A 60 -10.607 6.141 2.615 1.00 0.00 C ATOM 897 C LEU A 60 -9.555 5.180 2.053 1.00 0.00 C ATOM 898 O LEU A 60 -9.286 4.150 2.656 1.00 0.00 O ATOM 899 CB LEU A 60 -11.975 5.907 1.898 1.00 0.00 C ATOM 900 CG LEU A 60 -13.258 6.442 2.622 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.252 7.979 2.779 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.541 5.955 1.897 1.00 0.00 C ATOM 0 H LEU A 60 -10.693 8.095 1.842 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.752 5.942 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.924 6.370 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.096 4.835 1.741 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.253 6.028 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.163 8.296 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.385 8.281 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.204 8.445 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.420 6.338 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.539 6.319 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.567 4.865 1.895 1.00 0.00 H new ATOM 914 N VAL A 61 -8.959 5.550 0.901 1.00 0.00 N ATOM 915 CA VAL A 61 -7.960 4.707 0.208 1.00 0.00 C ATOM 916 C VAL A 61 -6.699 4.541 1.077 1.00 0.00 C ATOM 917 O VAL A 61 -6.158 3.446 1.182 1.00 0.00 O ATOM 918 CB VAL A 61 -7.554 5.279 -1.206 1.00 0.00 C ATOM 919 CG1 VAL A 61 -6.666 4.275 -1.977 1.00 0.00 C ATOM 920 CG2 VAL A 61 -8.804 5.649 -2.034 1.00 0.00 C ATOM 0 H VAL A 61 -9.153 6.432 0.428 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.431 3.737 0.047 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.975 6.188 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.401 4.694 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.758 4.079 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.212 3.343 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.496 6.040 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.419 4.761 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.381 6.407 -1.504 1.00 0.00 H new ATOM 930 N VAL A 62 -6.271 5.652 1.711 1.00 0.00 N ATOM 931 CA VAL A 62 -5.109 5.686 2.626 1.00 0.00 C ATOM 932 C VAL A 62 -5.398 4.857 3.900 1.00 0.00 C ATOM 933 O VAL A 62 -4.522 4.142 4.395 1.00 0.00 O ATOM 934 CB VAL A 62 -4.733 7.176 3.013 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.567 7.242 4.033 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.399 8.010 1.751 1.00 0.00 C ATOM 0 H VAL A 62 -6.725 6.559 1.602 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.259 5.245 2.106 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.610 7.608 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.346 8.284 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.852 6.718 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.682 6.771 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.144 9.028 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.553 7.560 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.264 8.029 1.088 1.00 0.00 H new ATOM 946 N SER A 63 -6.648 4.948 4.393 1.00 0.00 N ATOM 947 CA SER A 63 -7.109 4.228 5.598 1.00 0.00 C ATOM 948 C SER A 63 -7.138 2.699 5.352 1.00 0.00 C ATOM 949 O SER A 63 -6.702 1.912 6.200 1.00 0.00 O ATOM 950 CB SER A 63 -8.514 4.743 6.015 1.00 0.00 C ATOM 951 OG SER A 63 -8.967 4.149 7.225 1.00 0.00 O ATOM 0 H SER A 63 -7.371 5.526 3.965 1.00 0.00 H new ATOM 0 HA SER A 63 -6.407 4.421 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.481 5.826 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.228 4.531 5.219 1.00 0.00 H new ATOM 0 HG SER A 63 -9.853 4.502 7.451 1.00 0.00 H new ATOM 957 N GLU A 64 -7.626 2.304 4.166 1.00 0.00 N ATOM 958 CA GLU A 64 -7.740 0.890 3.753 1.00 0.00 C ATOM 959 C GLU A 64 -6.361 0.319 3.397 1.00 0.00 C ATOM 960 O GLU A 64 -6.099 -0.855 3.641 1.00 0.00 O ATOM 961 CB GLU A 64 -8.727 0.758 2.559 1.00 0.00 C ATOM 962 CG GLU A 64 -10.188 1.103 2.935 1.00 0.00 C ATOM 963 CD GLU A 64 -11.157 1.145 1.739 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.706 0.089 1.372 1.00 0.00 O ATOM 965 OE2 GLU A 64 -11.383 2.238 1.178 1.00 0.00 O ATOM 0 H GLU A 64 -7.956 2.960 3.458 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.135 0.311 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.401 1.415 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.688 -0.261 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.549 0.368 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.203 2.072 3.434 1.00 0.00 H new ATOM 972 N LEU A 65 -5.486 1.181 2.848 1.00 0.00 N ATOM 973 CA LEU A 65 -4.082 0.842 2.524 1.00 0.00 C ATOM 974 C LEU A 65 -3.305 0.547 3.822 1.00 0.00 C ATOM 975 O LEU A 65 -2.536 -0.414 3.895 1.00 0.00 O ATOM 976 CB LEU A 65 -3.436 2.013 1.724 1.00 0.00 C ATOM 977 CG LEU A 65 -1.960 1.836 1.231 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.779 0.554 0.396 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.492 3.081 0.434 1.00 0.00 C ATOM 0 H LEU A 65 -5.733 2.142 2.613 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.048 -0.053 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.060 2.206 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.476 2.906 2.348 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.334 1.736 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.740 0.472 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.042 -0.314 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.427 0.596 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.464 2.935 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.137 3.221 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.545 3.963 1.072 1.00 0.00 H new ATOM 991 N SER A 66 -3.576 1.373 4.850 1.00 0.00 N ATOM 992 CA SER A 66 -3.020 1.215 6.207 1.00 0.00 C ATOM 993 C SER A 66 -3.480 -0.103 6.835 1.00 0.00 C ATOM 994 O SER A 66 -2.671 -0.857 7.381 1.00 0.00 O ATOM 995 CB SER A 66 -3.458 2.405 7.102 1.00 0.00 C ATOM 996 OG SER A 66 -2.907 2.319 8.409 1.00 0.00 O ATOM 0 H SER A 66 -4.195 2.179 4.760 1.00 0.00 H new ATOM 0 HA SER A 66 -1.933 1.200 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.147 3.341 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.546 2.428 7.168 1.00 0.00 H new ATOM 0 HG SER A 66 -3.205 3.086 8.941 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.792 -0.365 6.710 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.451 -1.536 7.303 1.00 0.00 C ATOM 1004 C LEU A 67 -4.959 -2.845 6.642 1.00 0.00 C ATOM 1005 O LEU A 67 -4.897 -3.890 7.296 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.993 -1.366 7.188 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.871 -2.415 7.948 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.529 -2.460 9.459 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -9.381 -2.137 7.725 1.00 0.00 C ATOM 0 H LEU A 67 -5.429 0.237 6.189 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.189 -1.606 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.255 -0.373 7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.262 -1.398 6.132 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.642 -3.397 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.159 -3.200 9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.481 -2.732 9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.706 -1.480 9.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.971 -2.879 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.626 -1.141 8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.608 -2.195 6.661 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.591 -2.765 5.345 1.00 0.00 N ATOM 1022 CA LYS A 68 -4.010 -3.903 4.608 1.00 0.00 C ATOM 1023 C LYS A 68 -2.582 -4.196 5.095 1.00 0.00 C ATOM 1024 O LYS A 68 -2.325 -5.279 5.610 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.007 -3.652 3.074 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.398 -3.624 2.405 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.192 -4.931 2.622 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.576 -4.890 1.968 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.400 -3.777 2.491 1.00 0.00 N ATOM 0 H LYS A 68 -4.688 -1.917 4.786 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.638 -4.771 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.510 -2.702 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.409 -4.428 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.971 -2.786 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.279 -3.450 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.626 -5.769 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.304 -5.112 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.465 -4.784 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.089 -5.836 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.386 -3.900 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.360 -3.774 3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.034 -2.874 2.128 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.684 -3.189 4.967 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.239 -3.333 5.282 1.00 0.00 C ATOM 1045 C LEU A 69 0.002 -3.710 6.758 1.00 0.00 C ATOM 1046 O LEU A 69 1.023 -4.331 7.080 1.00 0.00 O ATOM 1047 CB LEU A 69 0.520 -2.019 4.956 1.00 0.00 C ATOM 1048 CG LEU A 69 0.498 -1.548 3.468 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.243 -0.203 3.306 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.065 -2.626 2.514 1.00 0.00 C ATOM 0 H LEU A 69 -1.939 -2.256 4.643 1.00 0.00 H new ATOM 0 HA LEU A 69 0.141 -4.144 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.101 -1.223 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.560 -2.143 5.259 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.544 -1.393 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.214 0.105 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.761 0.556 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.280 -0.321 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.032 -2.258 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.097 -2.847 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.466 -3.533 2.594 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.945 -3.302 7.630 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.968 -3.645 9.065 1.00 0.00 C ATOM 1064 C ARG A 70 -0.870 -5.174 9.235 1.00 0.00 C ATOM 1065 O ARG A 70 0.021 -5.672 9.916 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.284 -3.077 9.713 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.390 -3.101 11.271 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.684 -4.486 11.873 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.826 -4.438 13.338 1.00 0.00 N ATOM 1070 CZ ARG A 70 -2.765 -5.503 14.149 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -2.445 -6.702 13.685 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -3.025 -5.358 15.440 1.00 0.00 N ATOM 0 H ARG A 70 -1.729 -2.714 7.349 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.114 -3.196 9.573 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.402 -2.045 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.127 -3.639 9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.456 -2.728 11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.176 -2.411 11.579 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.599 -4.884 11.434 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.879 -5.173 11.610 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.982 -3.526 13.767 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.240 -6.827 12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.404 -7.500 14.319 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.270 -4.440 15.811 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.980 -6.164 16.063 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.803 -5.894 8.601 1.00 0.00 N ATOM 1087 CA LYS A 71 -1.909 -7.355 8.721 1.00 0.00 C ATOM 1088 C LYS A 71 -0.908 -8.062 7.788 1.00 0.00 C ATOM 1089 O LYS A 71 -0.258 -9.034 8.177 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.362 -7.798 8.390 1.00 0.00 C ATOM 1091 CG LYS A 71 -3.613 -9.321 8.484 1.00 0.00 C ATOM 1092 CD LYS A 71 -5.079 -9.708 8.177 1.00 0.00 C ATOM 1093 CE LYS A 71 -6.087 -9.074 9.154 1.00 0.00 C ATOM 1094 NZ LYS A 71 -7.470 -9.563 8.924 1.00 0.00 N ATOM 0 H LYS A 71 -2.507 -5.481 7.989 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.667 -7.639 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.046 -7.289 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.608 -7.465 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.952 -9.837 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.353 -9.666 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.325 -9.401 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.178 -10.793 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.789 -9.299 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.063 -7.990 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.115 -9.111 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.765 -9.326 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.499 -10.595 9.053 1.00 0.00 H new ATOM 1108 N GLU A 72 -0.771 -7.520 6.574 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.105 -8.191 5.444 1.00 0.00 C ATOM 1110 C GLU A 72 1.428 -8.235 5.615 1.00 0.00 C ATOM 1111 O GLU A 72 2.056 -9.276 5.384 1.00 0.00 O ATOM 1112 CB GLU A 72 -0.479 -7.467 4.115 1.00 0.00 C ATOM 1113 CG GLU A 72 -0.114 -8.231 2.821 1.00 0.00 C ATOM 1114 CD GLU A 72 -0.870 -9.559 2.675 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -1.997 -9.555 2.149 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -0.350 -10.614 3.103 1.00 0.00 O ATOM 0 H GLU A 72 -1.123 -6.591 6.341 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.454 -9.223 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.552 -7.276 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.017 -6.497 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.331 -7.599 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.958 -8.427 2.811 1.00 0.00 H new ATOM 1123 N PHE A 73 2.024 -7.091 6.004 1.00 0.00 N ATOM 1124 CA PHE A 73 3.499 -6.941 6.134 1.00 0.00 C ATOM 1125 C PHE A 73 3.909 -6.444 7.537 1.00 0.00 C ATOM 1126 O PHE A 73 5.101 -6.406 7.853 1.00 0.00 O ATOM 1127 CB PHE A 73 4.034 -5.961 5.054 1.00 0.00 C ATOM 1128 CG PHE A 73 3.801 -6.436 3.621 1.00 0.00 C ATOM 1129 CD1 PHE A 73 4.585 -7.451 3.070 1.00 0.00 C ATOM 1130 CD2 PHE A 73 2.789 -5.888 2.831 1.00 0.00 C ATOM 1131 CE1 PHE A 73 4.367 -7.897 1.783 1.00 0.00 C ATOM 1132 CE2 PHE A 73 2.570 -6.340 1.545 1.00 0.00 C ATOM 1133 CZ PHE A 73 3.360 -7.346 1.022 1.00 0.00 C ATOM 0 H PHE A 73 1.505 -6.244 6.238 1.00 0.00 H new ATOM 0 HA PHE A 73 3.940 -7.927 5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.555 -4.991 5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.103 -5.813 5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.374 -7.894 3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.169 -5.100 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.987 -8.680 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.781 -5.907 0.948 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.188 -7.700 0.016 1.00 0.00 H new ATOM 1143 N GLY A 74 2.916 -6.048 8.362 1.00 0.00 N ATOM 1144 CA GLY A 74 3.171 -5.467 9.692 1.00 0.00 C ATOM 1145 C GLY A 74 3.541 -3.987 9.636 1.00 0.00 C ATOM 1146 O GLY A 74 3.834 -3.378 10.676 1.00 0.00 O ATOM 0 H GLY A 74 1.926 -6.122 8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.283 -5.591 10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.977 -6.019 10.175 1.00 0.00 H new ATOM 1150 N VAL A 75 3.509 -3.409 8.418 1.00 0.00 N ATOM 1151 CA VAL A 75 3.897 -2.014 8.161 1.00 0.00 C ATOM 1152 C VAL A 75 2.709 -1.081 8.509 1.00 0.00 C ATOM 1153 O VAL A 75 1.875 -0.740 7.661 1.00 0.00 O ATOM 1154 CB VAL A 75 4.394 -1.824 6.663 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.849 -0.373 6.378 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.531 -2.829 6.335 1.00 0.00 C ATOM 0 H VAL A 75 3.209 -3.906 7.579 1.00 0.00 H new ATOM 0 HA VAL A 75 4.740 -1.747 8.799 1.00 0.00 H new ATOM 0 HB VAL A 75 3.544 -2.028 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.180 -0.292 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.016 0.309 6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.672 -0.113 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.859 -2.684 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.370 -2.662 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.163 -3.848 6.459 1.00 0.00 H new ATOM 1166 N THR A 76 2.617 -0.753 9.808 1.00 0.00 N ATOM 1167 CA THR A 76 1.595 0.141 10.378 1.00 0.00 C ATOM 1168 C THR A 76 2.287 1.196 11.259 1.00 0.00 C ATOM 1169 O THR A 76 3.417 0.982 11.719 1.00 0.00 O ATOM 1170 CB THR A 76 0.528 -0.663 11.202 1.00 0.00 C ATOM 1171 OG1 THR A 76 -0.469 0.221 11.738 1.00 0.00 O ATOM 1172 CG2 THR A 76 1.158 -1.491 12.339 1.00 0.00 C ATOM 0 H THR A 76 3.267 -1.111 10.508 1.00 0.00 H new ATOM 0 HA THR A 76 1.064 0.637 9.565 1.00 0.00 H new ATOM 0 HB THR A 76 0.061 -1.362 10.508 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.127 -0.298 12.247 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.375 -2.027 12.876 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.865 -2.207 11.919 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.680 -0.826 13.027 1.00 0.00 H new ATOM 1180 N GLY A 77 1.593 2.313 11.503 1.00 0.00 N ATOM 1181 CA GLY A 77 2.213 3.502 12.092 1.00 0.00 C ATOM 1182 C GLY A 77 3.002 4.284 11.055 1.00 0.00 C ATOM 1183 O GLY A 77 3.940 5.018 11.385 1.00 0.00 O ATOM 0 H GLY A 77 0.599 2.417 11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.442 4.141 12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.873 3.205 12.907 1.00 0.00 H new ATOM 1187 N VAL A 78 2.603 4.107 9.787 1.00 0.00 N ATOM 1188 CA VAL A 78 3.209 4.748 8.606 1.00 0.00 C ATOM 1189 C VAL A 78 2.139 5.553 7.838 1.00 0.00 C ATOM 1190 O VAL A 78 2.351 5.929 6.688 1.00 0.00 O ATOM 1191 CB VAL A 78 3.843 3.656 7.658 1.00 0.00 C ATOM 1192 CG1 VAL A 78 5.021 2.924 8.347 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.767 2.653 7.160 1.00 0.00 C ATOM 0 H VAL A 78 1.824 3.494 9.545 1.00 0.00 H new ATOM 0 HA VAL A 78 3.996 5.425 8.938 1.00 0.00 H new ATOM 0 HB VAL A 78 4.245 4.170 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.434 2.179 7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.795 3.646 8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.664 2.431 9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.233 1.913 6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.314 2.151 8.015 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.998 3.190 6.606 1.00 0.00 H new ATOM 1203 N ASP A 79 1.008 5.843 8.514 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.200 6.426 7.884 1.00 0.00 C ATOM 1205 C ASP A 79 0.064 7.836 7.321 1.00 0.00 C ATOM 1206 O ASP A 79 -0.530 8.235 6.309 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.372 6.435 8.892 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.717 6.817 8.249 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -3.289 5.979 7.517 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.213 7.942 8.473 1.00 0.00 O ATOM 0 H ASP A 79 0.904 5.680 9.515 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.472 5.798 7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.460 5.448 9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.147 7.137 9.695 1.00 0.00 H new ATOM 1215 N ASP A 80 0.976 8.572 7.990 1.00 0.00 N ATOM 1216 CA ASP A 80 1.470 9.881 7.511 1.00 0.00 C ATOM 1217 C ASP A 80 2.161 9.716 6.147 1.00 0.00 C ATOM 1218 O ASP A 80 1.843 10.436 5.197 1.00 0.00 O ATOM 1219 CB ASP A 80 2.443 10.525 8.546 1.00 0.00 C ATOM 1220 CG ASP A 80 1.735 10.989 9.836 1.00 0.00 C ATOM 1221 OD1 ASP A 80 1.278 12.151 9.898 1.00 0.00 O ATOM 1222 OD2 ASP A 80 1.615 10.198 10.790 1.00 0.00 O ATOM 0 H ASP A 80 1.390 8.277 8.875 1.00 0.00 H new ATOM 0 HA ASP A 80 0.617 10.550 7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.219 9.804 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.941 11.378 8.085 1.00 0.00 H new ATOM 1227 N GLU A 81 3.069 8.721 6.064 1.00 0.00 N ATOM 1228 CA GLU A 81 3.806 8.391 4.827 1.00 0.00 C ATOM 1229 C GLU A 81 2.853 7.915 3.714 1.00 0.00 C ATOM 1230 O GLU A 81 3.061 8.243 2.555 1.00 0.00 O ATOM 1231 CB GLU A 81 4.876 7.304 5.103 1.00 0.00 C ATOM 1232 CG GLU A 81 6.011 7.753 6.049 1.00 0.00 C ATOM 1233 CD GLU A 81 6.973 6.614 6.419 1.00 0.00 C ATOM 1234 OE1 GLU A 81 7.903 6.318 5.631 1.00 0.00 O ATOM 1235 OE2 GLU A 81 6.808 6.006 7.500 1.00 0.00 O ATOM 0 H GLU A 81 3.312 8.123 6.854 1.00 0.00 H new ATOM 0 HA GLU A 81 4.300 9.301 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.386 6.430 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.312 6.992 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.574 8.557 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.576 8.163 6.960 1.00 0.00 H new ATOM 1242 N LEU A 82 1.810 7.156 4.102 1.00 0.00 N ATOM 1243 CA LEU A 82 0.776 6.634 3.178 1.00 0.00 C ATOM 1244 C LEU A 82 0.001 7.773 2.505 1.00 0.00 C ATOM 1245 O LEU A 82 -0.340 7.701 1.322 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.199 5.706 3.942 1.00 0.00 C ATOM 1247 CG LEU A 82 0.398 4.361 4.437 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.578 3.623 5.365 1.00 0.00 C ATOM 1249 CD2 LEU A 82 0.802 3.477 3.252 1.00 0.00 C ATOM 0 H LEU A 82 1.657 6.884 5.073 1.00 0.00 H new ATOM 0 HA LEU A 82 1.280 6.064 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.587 6.249 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.048 5.489 3.293 1.00 0.00 H new ATOM 0 HG LEU A 82 1.294 4.587 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.129 2.686 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.795 4.245 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.503 3.414 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.218 2.540 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.074 3.268 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.550 3.994 2.651 1.00 0.00 H new ATOM 1261 N ASP A 83 -0.254 8.820 3.289 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.926 10.039 2.817 1.00 0.00 C ATOM 1263 C ASP A 83 0.036 10.885 1.948 1.00 0.00 C ATOM 1264 O ASP A 83 -0.400 11.668 1.103 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.439 10.833 4.042 1.00 0.00 C ATOM 1266 CG ASP A 83 -2.296 12.058 3.684 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -3.474 11.883 3.312 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -1.800 13.205 3.779 1.00 0.00 O ATOM 0 H ASP A 83 -0.000 8.850 4.276 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.777 9.777 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.025 10.166 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.584 11.162 4.632 1.00 0.00 H new ATOM 1273 N LEU A 84 1.355 10.706 2.169 1.00 0.00 N ATOM 1274 CA LEU A 84 2.419 11.373 1.381 1.00 0.00 C ATOM 1275 C LEU A 84 2.827 10.541 0.137 1.00 0.00 C ATOM 1276 O LEU A 84 3.677 10.982 -0.642 1.00 0.00 O ATOM 1277 CB LEU A 84 3.662 11.642 2.279 1.00 0.00 C ATOM 1278 CG LEU A 84 3.437 12.614 3.484 1.00 0.00 C ATOM 1279 CD1 LEU A 84 4.687 12.693 4.394 1.00 0.00 C ATOM 1280 CD2 LEU A 84 2.996 14.020 3.007 1.00 0.00 C ATOM 0 H LEU A 84 1.716 10.094 2.901 1.00 0.00 H new ATOM 0 HA LEU A 84 2.018 12.322 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.018 10.688 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.457 12.048 1.653 1.00 0.00 H new ATOM 0 HG LEU A 84 2.624 12.202 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.493 13.377 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.913 11.702 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.536 13.055 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.849 14.668 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.766 14.444 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.062 13.939 2.451 1.00 0.00 H new ATOM 1292 N LEU A 85 2.235 9.335 -0.040 1.00 0.00 N ATOM 1293 CA LEU A 85 2.511 8.484 -1.219 1.00 0.00 C ATOM 1294 C LEU A 85 1.751 9.006 -2.445 1.00 0.00 C ATOM 1295 O LEU A 85 0.515 8.998 -2.480 1.00 0.00 O ATOM 1296 CB LEU A 85 2.145 6.997 -0.983 1.00 0.00 C ATOM 1297 CG LEU A 85 2.938 6.253 0.131 1.00 0.00 C ATOM 1298 CD1 LEU A 85 2.538 4.772 0.187 1.00 0.00 C ATOM 1299 CD2 LEU A 85 4.471 6.421 -0.028 1.00 0.00 C ATOM 0 H LEU A 85 1.566 8.933 0.617 1.00 0.00 H new ATOM 0 HA LEU A 85 3.586 8.536 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.084 6.942 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.287 6.458 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 85 2.672 6.714 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.104 4.272 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.472 4.691 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.753 4.301 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.981 5.884 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.783 6.018 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.728 7.479 0.023 1.00 0.00 H new ATOM 1311 N GLU A 86 2.516 9.449 -3.440 1.00 0.00 N ATOM 1312 CA GLU A 86 1.999 9.961 -4.724 1.00 0.00 C ATOM 1313 C GLU A 86 2.467 9.052 -5.880 1.00 0.00 C ATOM 1314 O GLU A 86 2.115 9.273 -7.044 1.00 0.00 O ATOM 1315 CB GLU A 86 2.503 11.409 -4.928 1.00 0.00 C ATOM 1316 CG GLU A 86 4.041 11.526 -5.041 1.00 0.00 C ATOM 1317 CD GLU A 86 4.541 12.974 -5.108 1.00 0.00 C ATOM 1318 OE1 GLU A 86 4.344 13.631 -6.158 1.00 0.00 O ATOM 1319 OE2 GLU A 86 5.154 13.454 -4.130 1.00 0.00 O ATOM 0 H GLU A 86 3.534 9.466 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 86 0.909 9.961 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.050 11.817 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.162 12.023 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.499 11.031 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.373 10.994 -5.932 1.00 0.00 H new ATOM 1326 N THR A 87 3.260 8.020 -5.530 1.00 0.00 N ATOM 1327 CA THR A 87 3.873 7.078 -6.475 1.00 0.00 C ATOM 1328 C THR A 87 3.888 5.662 -5.859 1.00 0.00 C ATOM 1329 O THR A 87 4.199 5.477 -4.655 1.00 0.00 O ATOM 1330 CB THR A 87 5.328 7.536 -6.845 1.00 0.00 C ATOM 1331 OG1 THR A 87 5.991 7.994 -5.662 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.351 8.644 -7.920 1.00 0.00 C ATOM 0 H THR A 87 3.495 7.817 -4.558 1.00 0.00 H new ATOM 0 HA THR A 87 3.283 7.059 -7.391 1.00 0.00 H new ATOM 0 HB THR A 87 5.846 6.675 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.901 8.280 -5.887 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.383 8.921 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.876 8.278 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.810 9.517 -7.554 1.00 0.00 H new ATOM 1340 N VAL A 88 3.556 4.664 -6.700 1.00 0.00 N ATOM 1341 CA VAL A 88 3.444 3.266 -6.276 1.00 0.00 C ATOM 1342 C VAL A 88 4.815 2.724 -5.825 1.00 0.00 C ATOM 1343 O VAL A 88 4.890 1.974 -4.863 1.00 0.00 O ATOM 1344 CB VAL A 88 2.826 2.357 -7.410 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.658 0.893 -6.944 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.476 2.919 -7.911 1.00 0.00 C ATOM 0 H VAL A 88 3.359 4.810 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 88 2.762 3.234 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 88 3.532 2.367 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.230 0.301 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.631 0.484 -6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.995 0.860 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.078 2.269 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.770 2.964 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.626 3.920 -8.314 1.00 0.00 H new ATOM 1356 N ASP A 89 5.894 3.170 -6.491 1.00 0.00 N ATOM 1357 CA ASP A 89 7.270 2.746 -6.160 1.00 0.00 C ATOM 1358 C ASP A 89 7.646 3.163 -4.727 1.00 0.00 C ATOM 1359 O ASP A 89 8.328 2.415 -4.033 1.00 0.00 O ATOM 1360 CB ASP A 89 8.282 3.317 -7.183 1.00 0.00 C ATOM 1361 CG ASP A 89 9.721 2.836 -6.934 1.00 0.00 C ATOM 1362 OD1 ASP A 89 10.021 1.648 -7.195 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.559 3.630 -6.455 1.00 0.00 O ATOM 0 H ASP A 89 5.841 3.829 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 89 7.309 1.658 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.977 3.028 -8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.256 4.406 -7.143 1.00 0.00 H new ATOM 1368 N GLU A 90 7.151 4.337 -4.283 1.00 0.00 N ATOM 1369 CA GLU A 90 7.360 4.824 -2.902 1.00 0.00 C ATOM 1370 C GLU A 90 6.602 3.963 -1.873 1.00 0.00 C ATOM 1371 O GLU A 90 7.029 3.881 -0.718 1.00 0.00 O ATOM 1372 CB GLU A 90 6.980 6.326 -2.781 1.00 0.00 C ATOM 1373 CG GLU A 90 8.006 7.287 -3.412 1.00 0.00 C ATOM 1374 CD GLU A 90 9.359 7.290 -2.677 1.00 0.00 C ATOM 1375 OE1 GLU A 90 9.501 8.026 -1.676 1.00 0.00 O ATOM 1376 OE2 GLU A 90 10.287 6.560 -3.087 1.00 0.00 O ATOM 0 H GLU A 90 6.601 4.969 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 90 8.422 4.729 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.011 6.484 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.864 6.577 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.165 7.007 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.597 8.297 -3.412 1.00 0.00 H new ATOM 1383 N LEU A 91 5.476 3.342 -2.292 1.00 0.00 N ATOM 1384 CA LEU A 91 4.806 2.291 -1.470 1.00 0.00 C ATOM 1385 C LEU A 91 5.746 1.081 -1.262 1.00 0.00 C ATOM 1386 O LEU A 91 5.814 0.517 -0.164 1.00 0.00 O ATOM 1387 CB LEU A 91 3.474 1.818 -2.118 1.00 0.00 C ATOM 1388 CG LEU A 91 2.704 0.672 -1.372 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.224 1.115 0.025 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.537 0.133 -2.224 1.00 0.00 C ATOM 0 H LEU A 91 5.013 3.541 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 91 4.574 2.736 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.810 2.678 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.688 1.482 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 91 3.410 -0.145 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.696 0.292 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.084 1.399 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.553 1.968 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.024 -0.659 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.836 0.941 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.925 -0.264 -3.162 1.00 0.00 H new ATOM 1402 N PHE A 92 6.464 0.704 -2.332 1.00 0.00 N ATOM 1403 CA PHE A 92 7.442 -0.405 -2.307 1.00 0.00 C ATOM 1404 C PHE A 92 8.643 -0.084 -1.407 1.00 0.00 C ATOM 1405 O PHE A 92 9.127 -0.964 -0.695 1.00 0.00 O ATOM 1406 CB PHE A 92 7.921 -0.748 -3.743 1.00 0.00 C ATOM 1407 CG PHE A 92 6.901 -1.537 -4.558 1.00 0.00 C ATOM 1408 CD1 PHE A 92 5.714 -0.948 -4.995 1.00 0.00 C ATOM 1409 CD2 PHE A 92 7.111 -2.873 -4.861 1.00 0.00 C ATOM 1410 CE1 PHE A 92 4.780 -1.667 -5.705 1.00 0.00 C ATOM 1411 CE2 PHE A 92 6.181 -3.583 -5.575 1.00 0.00 C ATOM 1412 CZ PHE A 92 5.011 -2.982 -5.997 1.00 0.00 C ATOM 0 H PHE A 92 6.385 1.158 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 92 6.936 -1.275 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.155 0.177 -4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.845 -1.322 -3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.525 0.092 -4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.017 -3.360 -4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.866 -1.193 -6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.365 -4.621 -5.810 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.281 -3.549 -6.556 1.00 0.00 H new ATOM 1422 N GLN A 93 9.112 1.180 -1.448 1.00 0.00 N ATOM 1423 CA GLN A 93 10.247 1.638 -0.621 1.00 0.00 C ATOM 1424 C GLN A 93 9.826 1.688 0.856 1.00 0.00 C ATOM 1425 O GLN A 93 10.614 1.392 1.749 1.00 0.00 O ATOM 1426 CB GLN A 93 10.772 3.027 -1.090 1.00 0.00 C ATOM 1427 CG GLN A 93 11.021 3.151 -2.610 1.00 0.00 C ATOM 1428 CD GLN A 93 11.909 2.051 -3.212 1.00 0.00 C ATOM 1429 OE1 GLN A 93 12.852 1.568 -2.593 1.00 0.00 O ATOM 1430 NE2 GLN A 93 11.579 1.610 -4.412 1.00 0.00 N ATOM 0 H GLN A 93 8.720 1.905 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 93 11.064 0.926 -0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.053 3.790 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.703 3.243 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.059 3.142 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.481 4.119 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.791 2.026 -4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.112 0.854 -4.842 1.00 0.00 H new ATOM 1439 N LEU A 94 8.552 2.060 1.080 1.00 0.00 N ATOM 1440 CA LEU A 94 7.922 2.074 2.405 1.00 0.00 C ATOM 1441 C LEU A 94 7.969 0.669 3.039 1.00 0.00 C ATOM 1442 O LEU A 94 8.496 0.492 4.139 1.00 0.00 O ATOM 1443 CB LEU A 94 6.449 2.553 2.284 1.00 0.00 C ATOM 1444 CG LEU A 94 5.610 2.540 3.600 1.00 0.00 C ATOM 1445 CD1 LEU A 94 6.084 3.620 4.588 1.00 0.00 C ATOM 1446 CD2 LEU A 94 4.116 2.676 3.302 1.00 0.00 C ATOM 0 H LEU A 94 7.927 2.363 0.333 1.00 0.00 H new ATOM 0 HA LEU A 94 8.471 2.763 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.450 3.569 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.944 1.926 1.549 1.00 0.00 H new ATOM 0 HG LEU A 94 5.769 1.574 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.475 3.579 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.128 3.444 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.984 4.603 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.556 2.664 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.933 3.616 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.793 1.845 2.675 1.00 0.00 H new ATOM 1458 N VAL A 95 7.430 -0.321 2.307 1.00 0.00 N ATOM 1459 CA VAL A 95 7.345 -1.713 2.778 1.00 0.00 C ATOM 1460 C VAL A 95 8.755 -2.307 2.990 1.00 0.00 C ATOM 1461 O VAL A 95 9.012 -2.882 4.035 1.00 0.00 O ATOM 1462 CB VAL A 95 6.495 -2.612 1.793 1.00 0.00 C ATOM 1463 CG1 VAL A 95 6.495 -4.106 2.219 1.00 0.00 C ATOM 1464 CG2 VAL A 95 5.043 -2.078 1.684 1.00 0.00 C ATOM 0 H VAL A 95 7.042 -0.179 1.374 1.00 0.00 H new ATOM 0 HA VAL A 95 6.829 -1.704 3.738 1.00 0.00 H new ATOM 0 HB VAL A 95 6.968 -2.554 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.899 -4.685 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.518 -4.483 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.068 -4.200 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.473 -2.709 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.575 -2.093 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.059 -1.056 1.305 1.00 0.00 H new ATOM 1474 N GLU A 96 9.658 -2.105 2.008 1.00 0.00 N ATOM 1475 CA GLU A 96 11.028 -2.672 2.022 1.00 0.00 C ATOM 1476 C GLU A 96 11.844 -2.189 3.246 1.00 0.00 C ATOM 1477 O GLU A 96 12.358 -3.003 4.019 1.00 0.00 O ATOM 1478 CB GLU A 96 11.779 -2.310 0.711 1.00 0.00 C ATOM 1479 CG GLU A 96 13.185 -2.946 0.582 1.00 0.00 C ATOM 1480 CD GLU A 96 13.962 -2.494 -0.666 1.00 0.00 C ATOM 1481 OE1 GLU A 96 13.517 -2.785 -1.792 1.00 0.00 O ATOM 1482 OE2 GLU A 96 15.025 -1.851 -0.528 1.00 0.00 O ATOM 0 H GLU A 96 9.460 -1.543 1.180 1.00 0.00 H new ATOM 0 HA GLU A 96 10.927 -3.755 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.173 -2.623 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.877 -1.226 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.767 -2.699 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.082 -4.031 0.560 1.00 0.00 H new ATOM 1489 N LYS A 97 11.933 -0.855 3.411 1.00 0.00 N ATOM 1490 CA LYS A 97 12.746 -0.217 4.473 1.00 0.00 C ATOM 1491 C LYS A 97 12.174 -0.505 5.870 1.00 0.00 C ATOM 1492 O LYS A 97 12.928 -0.793 6.802 1.00 0.00 O ATOM 1493 CB LYS A 97 12.824 1.315 4.260 1.00 0.00 C ATOM 1494 CG LYS A 97 13.527 1.749 2.958 1.00 0.00 C ATOM 1495 CD LYS A 97 13.439 3.275 2.732 1.00 0.00 C ATOM 1496 CE LYS A 97 14.059 3.733 1.405 1.00 0.00 C ATOM 1497 NZ LYS A 97 13.887 5.192 1.201 1.00 0.00 N ATOM 0 H LYS A 97 11.445 -0.187 2.814 1.00 0.00 H new ATOM 0 HA LYS A 97 13.747 -0.644 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.812 1.721 4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.348 1.760 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.574 1.448 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.075 1.231 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.393 3.579 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.941 3.786 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.120 3.485 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.596 3.192 0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.317 5.469 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.873 5.424 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.350 5.708 1.976 1.00 0.00 H new ATOM 1511 N HIS A 98 10.841 -0.411 6.001 1.00 0.00 N ATOM 1512 CA HIS A 98 10.147 -0.626 7.291 1.00 0.00 C ATOM 1513 C HIS A 98 10.059 -2.124 7.660 1.00 0.00 C ATOM 1514 O HIS A 98 9.825 -2.464 8.830 1.00 0.00 O ATOM 1515 CB HIS A 98 8.755 0.065 7.306 1.00 0.00 C ATOM 1516 CG HIS A 98 8.829 1.577 7.396 1.00 0.00 C ATOM 1517 ND1 HIS A 98 8.843 2.248 8.592 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.903 2.539 6.440 1.00 0.00 C ATOM 1519 CE1 HIS A 98 8.913 3.545 8.374 1.00 0.00 C ATOM 1520 NE2 HIS A 98 8.952 3.750 7.075 1.00 0.00 N ATOM 0 H HIS A 98 10.215 -0.186 5.227 1.00 0.00 H new ATOM 0 HA HIS A 98 10.750 -0.153 8.067 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.212 -0.211 6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.180 -0.313 8.151 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.920 2.377 5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.935 4.312 9.134 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.009 4.660 6.618 1.00 0.00 H new ATOM 1529 N ARG A 99 10.245 -3.015 6.670 1.00 0.00 N ATOM 1530 CA ARG A 99 10.337 -4.471 6.920 1.00 0.00 C ATOM 1531 C ARG A 99 11.794 -4.857 7.263 1.00 0.00 C ATOM 1532 O ARG A 99 12.031 -5.828 7.993 1.00 0.00 O ATOM 1533 CB ARG A 99 9.818 -5.288 5.702 1.00 0.00 C ATOM 1534 CG ARG A 99 9.588 -6.782 5.992 1.00 0.00 C ATOM 1535 CD ARG A 99 8.956 -7.549 4.819 1.00 0.00 C ATOM 1536 NE ARG A 99 8.570 -8.907 5.239 1.00 0.00 N ATOM 1537 CZ ARG A 99 8.447 -9.970 4.433 1.00 0.00 C ATOM 1538 NH1 ARG A 99 8.620 -9.865 3.122 1.00 0.00 N ATOM 1539 NH2 ARG A 99 8.120 -11.140 4.950 1.00 0.00 N ATOM 0 H ARG A 99 10.335 -2.756 5.688 1.00 0.00 H new ATOM 0 HA ARG A 99 9.700 -4.714 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.882 -4.849 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.534 -5.195 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.542 -7.245 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.944 -6.878 6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.080 -7.012 4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 99 9.662 -7.605 3.991 1.00 0.00 H new ATOM 0 HE ARG A 99 8.380 -9.051 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.852 -8.962 2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.521 -10.688 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.964 -11.228 5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.024 -11.956 4.345 1.00 0.00 H new ATOM 1553 N ALA A 100 12.762 -4.078 6.728 1.00 0.00 N ATOM 1554 CA ALA A 100 14.198 -4.263 7.007 1.00 0.00 C ATOM 1555 C ALA A 100 14.533 -3.809 8.436 1.00 0.00 C ATOM 1556 O ALA A 100 15.274 -4.491 9.151 1.00 0.00 O ATOM 1557 CB ALA A 100 15.048 -3.495 5.979 1.00 0.00 C ATOM 0 H ALA A 100 12.566 -3.305 6.092 1.00 0.00 H new ATOM 0 HA ALA A 100 14.433 -5.324 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.105 -3.642 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.831 -3.866 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.811 -2.432 6.032 1.00 0.00 H new ATOM 1563 N ALA A 101 13.968 -2.643 8.818 1.00 0.00 N ATOM 1564 CA ALA A 101 14.123 -2.028 10.156 1.00 0.00 C ATOM 1565 C ALA A 101 15.616 -1.804 10.508 1.00 0.00 C ATOM 1566 O ALA A 101 16.047 -2.066 11.637 1.00 0.00 O ATOM 1567 CB ALA A 101 13.382 -2.868 11.224 1.00 0.00 C ATOM 0 H ALA A 101 13.380 -2.092 8.193 1.00 0.00 H new ATOM 0 HA ALA A 101 13.662 -1.040 10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.505 -2.403 12.202 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.322 -2.917 10.977 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.797 -3.876 11.246 1.00 0.00 H new