USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 27 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.067) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 44 SER OG : rot -136:sc= 1.36 USER MOD Single : A 58 MET CE :methyl 139:sc= -3.5! (180deg=-5.8!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -2.18 USER MOD Single : A 64 THR OG1 : rot 81:sc= 0.0961 USER MOD Single : A 73 ASN : amide:sc=-0.00267 X(o=-0.0027,f=-0.047) USER MOD Single : A 74 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.7!) USER MOD Single : A 75 THR OG1 : rot -60:sc= 1.17 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -0.405 (180deg=-0.823) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -78:sc= 0.656 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.294 3.517 0.991 1.00 0.00 N ATOM 351 CA LYS A 25 -4.040 4.227 0.774 1.00 0.00 C ATOM 352 C LYS A 25 -3.816 5.267 1.866 1.00 0.00 C ATOM 353 O LYS A 25 -2.677 5.588 2.205 1.00 0.00 O ATOM 354 CB LYS A 25 -4.045 4.906 -0.597 1.00 0.00 C ATOM 355 CG LYS A 25 -2.669 4.982 -1.243 1.00 0.00 C ATOM 356 CD LYS A 25 -2.461 6.307 -1.960 1.00 0.00 C ATOM 357 CE LYS A 25 -1.485 7.200 -1.211 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.857 8.638 -1.313 1.00 0.00 N ATOM 0 HA LYS A 25 -3.227 3.502 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.719 4.363 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.445 5.915 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.901 4.856 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.553 4.162 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.087 6.122 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.417 6.819 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.456 6.906 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.481 7.056 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.167 9.213 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.860 8.926 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.805 8.781 -0.909 1.00 0.00 H new ATOM 372 N THR A 26 -4.910 5.793 2.411 1.00 0.00 N ATOM 373 CA THR A 26 -4.829 6.799 3.462 1.00 0.00 C ATOM 374 C THR A 26 -4.095 6.251 4.679 1.00 0.00 C ATOM 375 O THR A 26 -3.452 6.999 5.413 1.00 0.00 O ATOM 376 CB THR A 26 -6.221 7.302 3.849 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.224 6.627 3.111 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.396 8.788 3.610 1.00 0.00 C ATOM 0 H THR A 26 -5.860 5.539 2.142 1.00 0.00 H new ATOM 0 HA THR A 26 -4.262 7.645 3.074 1.00 0.00 H new ATOM 0 HB THR A 26 -6.320 7.101 4.916 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.106 6.963 3.375 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.402 9.088 3.903 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.666 9.340 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.245 9.007 2.553 1.00 0.00 H new ATOM 386 N GLN A 27 -4.167 4.940 4.877 1.00 0.00 N ATOM 387 CA GLN A 27 -3.474 4.312 5.992 1.00 0.00 C ATOM 388 C GLN A 27 -1.969 4.542 5.858 1.00 0.00 C ATOM 389 O GLN A 27 -1.229 4.513 6.841 1.00 0.00 O ATOM 390 CB GLN A 27 -3.776 2.813 6.038 1.00 0.00 C ATOM 391 CG GLN A 27 -3.891 2.259 7.449 1.00 0.00 C ATOM 392 CD GLN A 27 -5.331 2.069 7.884 1.00 0.00 C ATOM 393 OE1 GLN A 27 -5.733 2.524 8.955 1.00 0.00 O ATOM 394 NE2 GLN A 27 -6.117 1.391 7.054 1.00 0.00 N ATOM 0 H GLN A 27 -4.694 4.297 4.285 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.825 4.761 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.707 2.622 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.989 2.276 5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.369 1.303 7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.392 2.935 8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.742 1.031 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.095 1.230 7.295 1.00 0.00 H new ATOM 403 N LEU A 28 -1.535 4.778 4.621 1.00 0.00 N ATOM 404 CA LEU A 28 -0.129 5.026 4.320 1.00 0.00 C ATOM 405 C LEU A 28 0.210 6.504 4.447 1.00 0.00 C ATOM 406 O LEU A 28 1.375 6.899 4.440 1.00 0.00 O ATOM 407 CB LEU A 28 0.182 4.539 2.908 1.00 0.00 C ATOM 408 CG LEU A 28 1.653 4.609 2.483 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.989 5.987 1.933 1.00 0.00 C ATOM 410 CD2 LEU A 28 2.573 4.256 3.645 1.00 0.00 C ATOM 0 H LEU A 28 -2.146 4.802 3.804 1.00 0.00 H new ATOM 0 HA LEU A 28 0.480 4.480 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.153 3.505 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.408 5.126 2.204 1.00 0.00 H new ATOM 0 HG LEU A 28 1.810 3.876 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.038 6.015 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.362 6.196 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.808 6.739 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.611 4.313 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.412 4.958 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.356 3.244 3.987 1.00 0.00 H new ATOM 422 N ILE A 29 -0.828 7.297 4.564 1.00 0.00 N ATOM 423 CA ILE A 29 -0.701 8.748 4.695 1.00 0.00 C ATOM 424 C ILE A 29 -0.032 9.141 5.992 1.00 0.00 C ATOM 425 O ILE A 29 0.409 10.274 6.182 1.00 0.00 O ATOM 426 CB ILE A 29 -2.072 9.430 4.611 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.706 9.166 3.250 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.967 10.924 4.888 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.166 10.026 2.139 1.00 0.00 C ATOM 0 H ILE A 29 -1.792 6.964 4.572 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.076 9.082 3.866 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.714 9.004 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.556 8.118 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.782 9.324 3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.956 11.377 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.563 11.081 5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.306 11.385 4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.670 9.774 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.341 11.076 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.095 9.852 2.031 1.00 0.00 H new ATOM 441 N GLU A 30 0.034 8.182 6.860 1.00 0.00 N ATOM 442 CA GLU A 30 0.648 8.348 8.172 1.00 0.00 C ATOM 443 C GLU A 30 2.166 8.313 8.086 1.00 0.00 C ATOM 444 O GLU A 30 2.866 8.396 9.095 1.00 0.00 O ATOM 445 CB GLU A 30 0.140 7.289 9.151 1.00 0.00 C ATOM 446 CG GLU A 30 0.490 7.581 10.601 1.00 0.00 C ATOM 447 CD GLU A 30 -0.005 8.940 11.057 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.229 9.093 11.248 1.00 0.00 O ATOM 449 OE2 GLU A 30 0.833 9.851 11.225 1.00 0.00 O ATOM 0 H GLU A 30 -0.336 7.246 6.692 1.00 0.00 H new ATOM 0 HA GLU A 30 0.358 9.330 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.943 7.209 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.556 6.321 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.059 6.809 11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.572 7.531 10.727 1.00 0.00 H new ATOM 456 N ALA A 31 2.658 8.188 6.871 1.00 0.00 N ATOM 457 CA ALA A 31 4.093 8.138 6.619 1.00 0.00 C ATOM 458 C ALA A 31 4.645 9.525 6.306 1.00 0.00 C ATOM 459 O ALA A 31 5.806 9.820 6.584 1.00 0.00 O ATOM 460 CB ALA A 31 4.393 7.179 5.475 1.00 0.00 C ATOM 0 H ALA A 31 2.083 8.118 6.031 1.00 0.00 H new ATOM 0 HA ALA A 31 4.584 7.776 7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.468 7.151 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.042 6.181 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.884 7.518 4.573 1.00 0.00 H new ATOM 466 N PHE A 32 3.802 10.374 5.723 1.00 0.00 N ATOM 467 CA PHE A 32 4.204 11.732 5.370 1.00 0.00 C ATOM 468 C PHE A 32 4.717 12.490 6.592 1.00 0.00 C ATOM 469 O PHE A 32 5.469 13.456 6.462 1.00 0.00 O ATOM 470 CB PHE A 32 3.029 12.486 4.746 1.00 0.00 C ATOM 471 CG PHE A 32 2.932 12.316 3.256 1.00 0.00 C ATOM 472 CD1 PHE A 32 3.950 12.757 2.427 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.821 11.715 2.685 1.00 0.00 C ATOM 474 CE1 PHE A 32 3.863 12.601 1.057 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.727 11.557 1.316 1.00 0.00 C ATOM 476 CZ PHE A 32 2.749 12.000 0.501 1.00 0.00 C ATOM 0 H PHE A 32 2.837 10.145 5.485 1.00 0.00 H new ATOM 0 HA PHE A 32 5.014 11.664 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.102 12.142 5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.124 13.547 4.977 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.822 13.228 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.019 11.366 3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.664 12.948 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.855 11.088 0.884 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.679 11.877 -0.570 1.00 0.00 H new ATOM 486 N TYR A 33 4.307 12.050 7.778 1.00 0.00 N ATOM 487 CA TYR A 33 4.728 12.692 9.018 1.00 0.00 C ATOM 488 C TYR A 33 5.908 11.954 9.647 1.00 0.00 C ATOM 489 O TYR A 33 6.072 11.953 10.866 1.00 0.00 O ATOM 490 CB TYR A 33 3.563 12.749 10.009 1.00 0.00 C ATOM 491 CG TYR A 33 2.332 13.433 9.456 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.540 12.812 8.500 1.00 0.00 C ATOM 493 CD2 TYR A 33 1.964 14.700 9.893 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.414 13.434 7.992 1.00 0.00 C ATOM 495 CE2 TYR A 33 0.839 15.327 9.391 1.00 0.00 C ATOM 496 CZ TYR A 33 0.068 14.691 8.442 1.00 0.00 C ATOM 497 OH TYR A 33 -1.052 15.314 7.940 1.00 0.00 O ATOM 0 H TYR A 33 3.684 11.252 7.906 1.00 0.00 H new ATOM 0 HA TYR A 33 5.046 13.707 8.779 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.301 11.734 10.308 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.887 13.273 10.908 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.807 11.827 8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.566 15.202 10.636 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.191 12.938 7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.565 16.311 9.741 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.155 16.192 8.362 1.00 0.00 H new ATOM 507 N ASN A 34 6.726 11.330 8.806 1.00 0.00 N ATOM 508 CA ASN A 34 7.891 10.591 9.280 1.00 0.00 C ATOM 509 C ASN A 34 8.667 9.991 8.112 1.00 0.00 C ATOM 510 O ASN A 34 9.171 8.870 8.197 1.00 0.00 O ATOM 511 CB ASN A 34 7.463 9.483 10.245 1.00 0.00 C ATOM 512 CG ASN A 34 6.309 8.660 9.707 1.00 0.00 C ATOM 513 OD1 ASN A 34 5.148 9.059 9.807 1.00 0.00 O ATOM 514 ND2 ASN A 34 6.623 7.506 9.131 1.00 0.00 N ATOM 0 H ASN A 34 6.604 11.321 7.793 1.00 0.00 H new ATOM 0 HA ASN A 34 8.542 11.289 9.806 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.312 8.828 10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.176 9.927 11.198 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.889 6.910 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.599 7.215 9.070 1.00 0.00 H new ATOM 612 N PHE A 42 14.369 6.985 -2.488 1.00 0.00 N ATOM 613 CA PHE A 42 15.020 5.683 -2.417 1.00 0.00 C ATOM 614 C PHE A 42 15.293 5.290 -0.969 1.00 0.00 C ATOM 615 O PHE A 42 15.951 6.023 -0.229 1.00 0.00 O ATOM 616 CB PHE A 42 16.328 5.697 -3.209 1.00 0.00 C ATOM 617 CG PHE A 42 16.128 5.680 -4.698 1.00 0.00 C ATOM 618 CD1 PHE A 42 15.691 4.530 -5.338 1.00 0.00 C ATOM 619 CD2 PHE A 42 16.377 6.812 -5.457 1.00 0.00 C ATOM 620 CE1 PHE A 42 15.506 4.510 -6.707 1.00 0.00 C ATOM 621 CE2 PHE A 42 16.193 6.798 -6.827 1.00 0.00 C ATOM 622 CZ PHE A 42 15.757 5.646 -7.453 1.00 0.00 C ATOM 0 HA PHE A 42 14.348 4.945 -2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.898 6.585 -2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.927 4.833 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.493 3.640 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.719 7.715 -4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 42 15.166 3.608 -7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 42 16.390 7.687 -7.408 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.613 5.633 -8.523 1.00 0.00 H new ATOM 632 N VAL A 43 14.784 4.130 -0.571 1.00 0.00 N ATOM 633 CA VAL A 43 14.971 3.638 0.787 1.00 0.00 C ATOM 634 C VAL A 43 15.128 2.120 0.801 1.00 0.00 C ATOM 635 O VAL A 43 14.441 1.408 0.070 1.00 0.00 O ATOM 636 CB VAL A 43 13.791 4.035 1.695 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.486 3.466 1.158 1.00 0.00 C ATOM 638 CG2 VAL A 43 14.032 3.576 3.126 1.00 0.00 C ATOM 0 H VAL A 43 14.238 3.512 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 43 15.882 4.097 1.171 1.00 0.00 H new ATOM 0 HB VAL A 43 13.714 5.122 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.665 3.758 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.305 3.854 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.551 2.379 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.186 3.867 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.142 2.492 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.941 4.040 3.509 1.00 0.00 H new ATOM 648 N SER A 44 16.040 1.632 1.635 1.00 0.00 N ATOM 649 CA SER A 44 16.292 0.200 1.742 1.00 0.00 C ATOM 650 C SER A 44 15.381 -0.439 2.785 1.00 0.00 C ATOM 651 O SER A 44 14.914 0.228 3.709 1.00 0.00 O ATOM 652 CB SER A 44 17.756 -0.058 2.099 1.00 0.00 C ATOM 653 OG SER A 44 18.569 1.050 1.752 1.00 0.00 O ATOM 0 H SER A 44 16.618 2.208 2.247 1.00 0.00 H new ATOM 0 HA SER A 44 16.077 -0.252 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.843 -0.257 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.109 -0.949 1.579 1.00 0.00 H new ATOM 0 HG SER A 44 19.388 0.732 1.317 1.00 0.00 H new ATOM 659 N VAL A 45 15.137 -1.736 2.631 1.00 0.00 N ATOM 660 CA VAL A 45 14.286 -2.472 3.559 1.00 0.00 C ATOM 661 C VAL A 45 14.825 -2.385 4.984 1.00 0.00 C ATOM 662 O VAL A 45 14.119 -1.964 5.899 1.00 0.00 O ATOM 663 CB VAL A 45 14.177 -3.956 3.155 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.337 -4.732 4.156 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.596 -4.088 1.754 1.00 0.00 C ATOM 0 H VAL A 45 15.517 -2.300 1.871 1.00 0.00 H new ATOM 0 HA VAL A 45 13.297 -2.014 3.518 1.00 0.00 H new ATOM 0 HB VAL A 45 15.181 -4.380 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.276 -5.776 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.798 -4.671 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.334 -4.306 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.527 -5.142 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.602 -3.641 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.243 -3.575 1.042 1.00 0.00 H new ATOM 675 N GLU A 46 16.080 -2.791 5.160 1.00 0.00 N ATOM 676 CA GLU A 46 16.719 -2.764 6.472 1.00 0.00 C ATOM 677 C GLU A 46 16.478 -1.431 7.172 1.00 0.00 C ATOM 678 O GLU A 46 16.398 -1.366 8.400 1.00 0.00 O ATOM 679 CB GLU A 46 18.219 -3.020 6.332 1.00 0.00 C ATOM 680 CG GLU A 46 18.553 -4.213 5.450 1.00 0.00 C ATOM 681 CD GLU A 46 19.350 -5.276 6.179 1.00 0.00 C ATOM 682 OE1 GLU A 46 18.737 -6.084 6.907 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.590 -5.301 6.022 1.00 0.00 O ATOM 0 H GLU A 46 16.675 -3.143 4.410 1.00 0.00 H new ATOM 0 HA GLU A 46 16.277 -3.553 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.694 -2.130 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.646 -3.180 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.629 -4.652 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.119 -3.871 4.583 1.00 0.00 H new ATOM 690 N GLU A 47 16.350 -0.371 6.381 1.00 0.00 N ATOM 691 CA GLU A 47 16.102 0.961 6.921 1.00 0.00 C ATOM 692 C GLU A 47 14.604 1.230 7.010 1.00 0.00 C ATOM 693 O GLU A 47 14.145 1.985 7.868 1.00 0.00 O ATOM 694 CB GLU A 47 16.772 2.023 6.047 1.00 0.00 C ATOM 695 CG GLU A 47 17.230 3.248 6.823 1.00 0.00 C ATOM 696 CD GLU A 47 18.724 3.253 7.077 1.00 0.00 C ATOM 697 OE1 GLU A 47 19.477 3.700 6.187 1.00 0.00 O ATOM 698 OE2 GLU A 47 19.141 2.808 8.167 1.00 0.00 O ATOM 0 H GLU A 47 16.414 -0.408 5.364 1.00 0.00 H new ATOM 0 HA GLU A 47 16.527 1.009 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.631 1.579 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.074 2.335 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.956 4.147 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.703 3.287 7.776 1.00 0.00 H new ATOM 705 N PHE A 48 13.846 0.598 6.118 1.00 0.00 N ATOM 706 CA PHE A 48 12.396 0.756 6.089 1.00 0.00 C ATOM 707 C PHE A 48 11.758 0.113 7.316 1.00 0.00 C ATOM 708 O PHE A 48 10.798 0.641 7.877 1.00 0.00 O ATOM 709 CB PHE A 48 11.828 0.128 4.813 1.00 0.00 C ATOM 710 CG PHE A 48 10.865 1.018 4.077 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.899 1.737 4.762 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.929 1.134 2.699 1.00 0.00 C ATOM 713 CE1 PHE A 48 9.014 2.554 4.087 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.047 1.949 2.017 1.00 0.00 C ATOM 715 CZ PHE A 48 9.088 2.661 2.711 1.00 0.00 C ATOM 0 H PHE A 48 14.214 -0.030 5.404 1.00 0.00 H new ATOM 0 HA PHE A 48 12.164 1.821 6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.652 -0.129 4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.324 -0.803 5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.837 1.657 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.677 0.581 2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.265 3.108 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.107 2.030 0.942 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.398 3.300 2.180 1.00 0.00 H new ATOM 725 N ARG A 49 12.299 -1.030 7.727 1.00 0.00 N ATOM 726 CA ARG A 49 11.784 -1.748 8.889 1.00 0.00 C ATOM 727 C ARG A 49 11.813 -0.865 10.131 1.00 0.00 C ATOM 728 O ARG A 49 10.814 -0.740 10.840 1.00 0.00 O ATOM 729 CB ARG A 49 12.601 -3.019 9.132 1.00 0.00 C ATOM 730 CG ARG A 49 12.291 -4.137 8.150 1.00 0.00 C ATOM 731 CD ARG A 49 13.532 -4.951 7.826 1.00 0.00 C ATOM 732 NE ARG A 49 13.946 -5.792 8.947 1.00 0.00 N ATOM 733 CZ ARG A 49 14.935 -6.682 8.881 1.00 0.00 C ATOM 734 NH1 ARG A 49 15.614 -6.847 7.754 1.00 0.00 N ATOM 735 NH2 ARG A 49 15.245 -7.406 9.947 1.00 0.00 N ATOM 0 H ARG A 49 13.094 -1.479 7.273 1.00 0.00 H new ATOM 0 HA ARG A 49 10.749 -2.023 8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.662 -2.776 9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.413 -3.374 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.525 -4.790 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.882 -3.714 7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.337 -5.578 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.347 -4.278 7.558 1.00 0.00 H new ATOM 0 HE ARG A 49 13.449 -5.692 9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.380 -6.291 6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.370 -7.530 7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.727 -7.281 10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.002 -8.088 9.898 1.00 0.00 H new ATOM 749 N GLY A 50 12.965 -0.252 10.389 1.00 0.00 N ATOM 750 CA GLY A 50 13.100 0.615 11.545 1.00 0.00 C ATOM 751 C GLY A 50 12.081 1.737 11.552 1.00 0.00 C ATOM 752 O GLY A 50 11.725 2.257 12.609 1.00 0.00 O ATOM 0 H GLY A 50 13.806 -0.340 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.990 0.023 12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.104 1.040 11.561 1.00 0.00 H new ATOM 756 N ILE A 51 11.609 2.109 10.366 1.00 0.00 N ATOM 757 CA ILE A 51 10.623 3.175 10.237 1.00 0.00 C ATOM 758 C ILE A 51 9.210 2.642 10.452 1.00 0.00 C ATOM 759 O ILE A 51 8.401 3.261 11.145 1.00 0.00 O ATOM 760 CB ILE A 51 10.703 3.848 8.851 1.00 0.00 C ATOM 761 CG1 ILE A 51 12.141 4.273 8.550 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.767 5.046 8.787 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.396 4.541 7.082 1.00 0.00 C ATOM 0 H ILE A 51 11.894 1.688 9.482 1.00 0.00 H new ATOM 0 HA ILE A 51 10.850 3.915 11.005 1.00 0.00 H new ATOM 0 HB ILE A 51 10.390 3.127 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.373 5.172 9.121 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.821 3.493 8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.836 5.509 7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.743 4.717 8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.051 5.771 9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.435 4.838 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.196 3.637 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.741 5.342 6.739 1.00 0.00 H new ATOM 775 N ILE A 52 8.920 1.491 9.855 1.00 0.00 N ATOM 776 CA ILE A 52 7.604 0.874 9.983 1.00 0.00 C ATOM 777 C ILE A 52 7.376 0.349 11.398 1.00 0.00 C ATOM 778 O ILE A 52 6.241 0.282 11.868 1.00 0.00 O ATOM 779 CB ILE A 52 7.429 -0.284 8.978 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.593 0.228 7.545 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.070 -0.948 9.156 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.475 1.146 7.100 1.00 0.00 C ATOM 0 H ILE A 52 9.578 0.967 9.278 1.00 0.00 H new ATOM 0 HA ILE A 52 6.867 1.648 9.766 1.00 0.00 H new ATOM 0 HB ILE A 52 8.201 -1.029 9.171 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.542 0.758 7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.645 -0.624 6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.966 -1.762 8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.988 -1.344 10.168 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.282 -0.214 8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.657 1.470 6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.525 0.613 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.437 2.017 7.755 1.00 0.00 H new ATOM 794 N ARG A 53 8.461 -0.024 12.072 1.00 0.00 N ATOM 795 CA ARG A 53 8.376 -0.545 13.432 1.00 0.00 C ATOM 796 C ARG A 53 7.550 0.380 14.322 1.00 0.00 C ATOM 797 O ARG A 53 6.543 -0.032 14.900 1.00 0.00 O ATOM 798 CB ARG A 53 9.776 -0.719 14.022 1.00 0.00 C ATOM 799 CG ARG A 53 10.425 -2.046 13.666 1.00 0.00 C ATOM 800 CD ARG A 53 11.395 -2.500 14.746 1.00 0.00 C ATOM 801 NE ARG A 53 12.487 -1.548 14.937 1.00 0.00 N ATOM 802 CZ ARG A 53 13.544 -1.777 15.713 1.00 0.00 C ATOM 803 NH1 ARG A 53 13.656 -2.924 16.371 1.00 0.00 N ATOM 804 NH2 ARG A 53 14.492 -0.857 15.830 1.00 0.00 N ATOM 0 H ARG A 53 9.409 0.025 11.698 1.00 0.00 H new ATOM 0 HA ARG A 53 7.882 -1.516 13.390 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.413 0.093 13.671 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.717 -0.632 15.107 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.654 -2.804 13.526 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.954 -1.951 12.717 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.857 -2.628 15.685 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.806 -3.474 14.478 1.00 0.00 H new ATOM 0 HE ARG A 53 12.436 -0.655 14.447 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.930 -3.635 16.283 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.468 -3.094 16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.411 0.026 15.325 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.302 -1.032 16.425 1.00 0.00 H new ATOM 818 N ASP A 54 7.981 1.634 14.426 1.00 0.00 N ATOM 819 CA ASP A 54 7.281 2.619 15.242 1.00 0.00 C ATOM 820 C ASP A 54 6.635 3.697 14.376 1.00 0.00 C ATOM 821 O ASP A 54 6.242 4.751 14.876 1.00 0.00 O ATOM 822 CB ASP A 54 8.248 3.261 16.238 1.00 0.00 C ATOM 823 CG ASP A 54 8.821 2.259 17.220 1.00 0.00 C ATOM 824 OD1 ASP A 54 8.037 1.463 17.780 1.00 0.00 O ATOM 825 OD2 ASP A 54 10.052 2.268 17.428 1.00 0.00 O ATOM 0 H ASP A 54 8.812 1.991 13.955 1.00 0.00 H new ATOM 0 HA ASP A 54 6.491 2.103 15.787 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.063 3.737 15.693 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.730 4.047 16.787 1.00 0.00 H new ATOM 830 N GLY A 55 6.529 3.435 13.074 1.00 0.00 N ATOM 831 CA GLY A 55 5.932 4.402 12.172 1.00 0.00 C ATOM 832 C GLY A 55 4.483 4.089 11.856 1.00 0.00 C ATOM 833 O GLY A 55 3.574 4.601 12.511 1.00 0.00 O ATOM 0 H GLY A 55 6.845 2.573 12.631 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.997 5.395 12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.504 4.430 11.245 1.00 0.00 H new ATOM 837 N LEU A 56 4.266 3.254 10.846 1.00 0.00 N ATOM 838 CA LEU A 56 2.916 2.878 10.441 1.00 0.00 C ATOM 839 C LEU A 56 2.571 1.470 10.921 1.00 0.00 C ATOM 840 O LEU A 56 3.434 0.595 10.976 1.00 0.00 O ATOM 841 CB LEU A 56 2.781 2.954 8.919 1.00 0.00 C ATOM 842 CG LEU A 56 2.697 4.370 8.347 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.049 5.059 8.427 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.199 4.332 6.909 1.00 0.00 C ATOM 0 H LEU A 56 5.007 2.824 10.293 1.00 0.00 H new ATOM 0 HA LEU A 56 2.219 3.579 10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.634 2.446 8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.888 2.404 8.621 1.00 0.00 H new ATOM 0 HG LEU A 56 1.986 4.942 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.970 6.065 8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.367 5.117 9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.782 4.490 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.145 5.347 6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.887 3.744 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.209 3.878 6.879 1.00 0.00 H new ATOM 856 N PRO A 57 1.295 1.234 11.275 1.00 0.00 N ATOM 857 CA PRO A 57 0.838 -0.076 11.746 1.00 0.00 C ATOM 858 C PRO A 57 0.684 -1.076 10.611 1.00 0.00 C ATOM 859 O PRO A 57 -0.180 -0.926 9.747 1.00 0.00 O ATOM 860 CB PRO A 57 -0.519 0.236 12.376 1.00 0.00 C ATOM 861 CG PRO A 57 -1.020 1.416 11.617 1.00 0.00 C ATOM 862 CD PRO A 57 0.198 2.221 11.238 1.00 0.00 C ATOM 0 HA PRO A 57 1.547 -0.537 12.433 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.201 -0.610 12.290 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.421 0.460 13.438 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.571 1.103 10.730 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.704 2.008 12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.092 2.665 10.248 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.371 3.039 11.938 1.00 0.00 H new ATOM 870 N MET A 58 1.532 -2.097 10.617 1.00 0.00 N ATOM 871 CA MET A 58 1.497 -3.127 9.588 1.00 0.00 C ATOM 872 C MET A 58 2.083 -4.433 10.112 1.00 0.00 C ATOM 873 O MET A 58 3.104 -4.436 10.799 1.00 0.00 O ATOM 874 CB MET A 58 2.272 -2.662 8.351 1.00 0.00 C ATOM 875 CG MET A 58 1.439 -2.644 7.079 1.00 0.00 C ATOM 876 SD MET A 58 2.188 -1.651 5.770 1.00 0.00 S ATOM 877 CE MET A 58 3.270 -2.855 4.999 1.00 0.00 C ATOM 0 H MET A 58 2.254 -2.233 11.325 1.00 0.00 H new ATOM 0 HA MET A 58 0.457 -3.302 9.312 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.663 -1.661 8.533 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.130 -3.317 8.203 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.305 -3.665 6.723 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.447 -2.252 7.304 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.229 -2.740 3.916 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.293 -2.697 5.342 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.947 -3.860 5.270 1.00 0.00 H new ATOM 887 N THR A 59 1.437 -5.541 9.773 1.00 0.00 N ATOM 888 CA THR A 59 1.902 -6.859 10.201 1.00 0.00 C ATOM 889 C THR A 59 3.065 -7.323 9.330 1.00 0.00 C ATOM 890 O THR A 59 3.117 -7.021 8.138 1.00 0.00 O ATOM 891 CB THR A 59 0.764 -7.879 10.137 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.266 -7.433 9.274 1.00 0.00 O ATOM 893 CG2 THR A 59 0.143 -8.166 11.489 1.00 0.00 C ATOM 0 H THR A 59 0.591 -5.556 9.204 1.00 0.00 H new ATOM 0 HA THR A 59 2.243 -6.780 11.233 1.00 0.00 H new ATOM 0 HB THR A 59 1.219 -8.796 9.762 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.982 -8.101 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.657 -8.897 11.374 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.903 -8.563 12.162 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.264 -7.245 11.905 1.00 0.00 H new ATOM 901 N GLU A 60 3.994 -8.065 9.932 1.00 0.00 N ATOM 902 CA GLU A 60 5.165 -8.583 9.218 1.00 0.00 C ATOM 903 C GLU A 60 4.784 -9.063 7.828 1.00 0.00 C ATOM 904 O GLU A 60 5.368 -8.655 6.832 1.00 0.00 O ATOM 905 CB GLU A 60 5.790 -9.737 9.999 1.00 0.00 C ATOM 906 CG GLU A 60 4.773 -10.728 10.547 1.00 0.00 C ATOM 907 CD GLU A 60 5.095 -11.173 11.960 1.00 0.00 C ATOM 908 OE1 GLU A 60 6.105 -11.885 12.142 1.00 0.00 O ATOM 909 OE2 GLU A 60 4.338 -10.809 12.884 1.00 0.00 O ATOM 0 H GLU A 60 3.959 -8.323 10.918 1.00 0.00 H new ATOM 0 HA GLU A 60 5.888 -7.772 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.487 -10.267 9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.371 -9.331 10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.783 -10.273 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.734 -11.601 9.895 1.00 0.00 H new ATOM 916 N ALA A 61 3.790 -9.930 7.779 1.00 0.00 N ATOM 917 CA ALA A 61 3.301 -10.478 6.525 1.00 0.00 C ATOM 918 C ALA A 61 3.113 -9.381 5.485 1.00 0.00 C ATOM 919 O ALA A 61 3.639 -9.467 4.383 1.00 0.00 O ATOM 920 CB ALA A 61 1.998 -11.221 6.764 1.00 0.00 C ATOM 0 H ALA A 61 3.299 -10.274 8.604 1.00 0.00 H new ATOM 0 HA ALA A 61 4.042 -11.177 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.634 -11.630 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.167 -12.033 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.256 -10.533 7.171 1.00 0.00 H new ATOM 926 N GLU A 62 2.369 -8.343 5.847 1.00 0.00 N ATOM 927 CA GLU A 62 2.133 -7.228 4.932 1.00 0.00 C ATOM 928 C GLU A 62 3.461 -6.644 4.466 1.00 0.00 C ATOM 929 O GLU A 62 3.769 -6.653 3.276 1.00 0.00 O ATOM 930 CB GLU A 62 1.290 -6.127 5.590 1.00 0.00 C ATOM 931 CG GLU A 62 0.454 -6.596 6.767 1.00 0.00 C ATOM 932 CD GLU A 62 -0.762 -5.723 7.005 1.00 0.00 C ATOM 933 OE1 GLU A 62 -0.614 -4.663 7.650 1.00 0.00 O ATOM 934 OE2 GLU A 62 -1.862 -6.099 6.549 1.00 0.00 O ATOM 0 H GLU A 62 1.921 -8.248 6.759 1.00 0.00 H new ATOM 0 HA GLU A 62 1.580 -7.614 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.954 -5.330 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.628 -5.695 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.131 -7.622 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.071 -6.605 7.665 1.00 0.00 H new ATOM 941 N ILE A 63 4.242 -6.146 5.417 1.00 0.00 N ATOM 942 CA ILE A 63 5.548 -5.559 5.109 1.00 0.00 C ATOM 943 C ILE A 63 6.460 -6.576 4.440 1.00 0.00 C ATOM 944 O ILE A 63 6.893 -6.382 3.307 1.00 0.00 O ATOM 945 CB ILE A 63 6.258 -5.029 6.370 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.264 -4.366 7.318 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.357 -4.053 5.985 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.990 -5.198 8.543 1.00 0.00 C ATOM 0 H ILE A 63 3.998 -6.135 6.407 1.00 0.00 H new ATOM 0 HA ILE A 63 5.354 -4.726 4.433 1.00 0.00 H new ATOM 0 HB ILE A 63 6.707 -5.875 6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.651 -3.394 7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.328 -4.185 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.850 -3.687 6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.087 -4.558 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.924 -3.213 5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.276 -4.679 9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.576 -6.161 8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.919 -5.357 9.090 1.00 0.00 H new ATOM 960 N THR A 64 6.745 -7.657 5.151 1.00 0.00 N ATOM 961 CA THR A 64 7.605 -8.717 4.640 1.00 0.00 C ATOM 962 C THR A 64 7.150 -9.178 3.263 1.00 0.00 C ATOM 963 O THR A 64 7.944 -9.242 2.325 1.00 0.00 O ATOM 964 CB THR A 64 7.594 -9.902 5.601 1.00 0.00 C ATOM 965 OG1 THR A 64 8.160 -9.545 6.849 1.00 0.00 O ATOM 966 CG2 THR A 64 8.342 -11.109 5.080 1.00 0.00 C ATOM 0 H THR A 64 6.390 -7.825 6.092 1.00 0.00 H new ATOM 0 HA THR A 64 8.616 -8.319 4.555 1.00 0.00 H new ATOM 0 HB THR A 64 6.543 -10.171 5.709 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.491 -9.076 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.293 -11.913 5.815 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.889 -11.443 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.384 -10.843 4.903 1.00 0.00 H new ATOM 974 N GLU A 65 5.864 -9.494 3.145 1.00 0.00 N ATOM 975 CA GLU A 65 5.319 -9.943 1.867 1.00 0.00 C ATOM 976 C GLU A 65 5.358 -8.821 0.854 1.00 0.00 C ATOM 977 O GLU A 65 5.232 -9.034 -0.352 1.00 0.00 O ATOM 978 CB GLU A 65 3.892 -10.459 2.023 1.00 0.00 C ATOM 979 CG GLU A 65 3.383 -11.226 0.813 1.00 0.00 C ATOM 980 CD GLU A 65 1.890 -11.069 0.609 1.00 0.00 C ATOM 981 OE1 GLU A 65 1.180 -10.794 1.598 1.00 0.00 O ATOM 982 OE2 GLU A 65 1.429 -11.222 -0.543 1.00 0.00 O ATOM 0 H GLU A 65 5.187 -9.449 3.907 1.00 0.00 H new ATOM 0 HA GLU A 65 5.939 -10.766 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.843 -11.106 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.229 -9.615 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.906 -10.880 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.621 -12.283 0.931 1.00 0.00 H new ATOM 989 N PHE A 66 5.551 -7.631 1.369 1.00 0.00 N ATOM 990 CA PHE A 66 5.636 -6.441 0.546 1.00 0.00 C ATOM 991 C PHE A 66 7.094 -6.096 0.257 1.00 0.00 C ATOM 992 O PHE A 66 7.403 -5.452 -0.744 1.00 0.00 O ATOM 993 CB PHE A 66 4.946 -5.256 1.230 1.00 0.00 C ATOM 994 CG PHE A 66 3.463 -5.191 0.985 1.00 0.00 C ATOM 995 CD1 PHE A 66 2.723 -6.347 0.781 1.00 0.00 C ATOM 996 CD2 PHE A 66 2.807 -3.969 0.958 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.361 -6.284 0.556 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.446 -3.901 0.733 1.00 0.00 C ATOM 999 CZ PHE A 66 0.722 -5.061 0.532 1.00 0.00 C ATOM 0 H PHE A 66 5.654 -7.456 2.369 1.00 0.00 H new ATOM 0 HA PHE A 66 5.126 -6.645 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.125 -5.314 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.403 -4.330 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.217 -7.307 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.368 -3.059 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.797 -7.191 0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.948 -2.943 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.342 -5.010 0.356 1.00 0.00 H new ATOM 1009 N PHE A 67 7.985 -6.530 1.146 1.00 0.00 N ATOM 1010 CA PHE A 67 9.412 -6.266 0.991 1.00 0.00 C ATOM 1011 C PHE A 67 10.003 -7.136 -0.113 1.00 0.00 C ATOM 1012 O PHE A 67 10.744 -6.653 -0.967 1.00 0.00 O ATOM 1013 CB PHE A 67 10.144 -6.530 2.309 1.00 0.00 C ATOM 1014 CG PHE A 67 10.197 -5.349 3.242 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.269 -4.050 2.757 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.178 -5.546 4.614 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.318 -2.975 3.626 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.228 -4.475 5.485 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.297 -3.188 4.990 1.00 0.00 C ATOM 0 H PHE A 67 7.743 -7.065 1.980 1.00 0.00 H new ATOM 0 HA PHE A 67 9.539 -5.219 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.656 -7.360 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.163 -6.847 2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.287 -3.877 1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.123 -6.550 5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.373 -1.969 3.237 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.213 -4.644 6.552 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.335 -2.349 5.669 1.00 0.00 H new ATOM 1029 N GLU A 68 9.671 -8.422 -0.085 1.00 0.00 N ATOM 1030 CA GLU A 68 10.168 -9.364 -1.080 1.00 0.00 C ATOM 1031 C GLU A 68 9.444 -9.191 -2.412 1.00 0.00 C ATOM 1032 O GLU A 68 9.989 -9.503 -3.471 1.00 0.00 O ATOM 1033 CB GLU A 68 10.004 -10.801 -0.581 1.00 0.00 C ATOM 1034 CG GLU A 68 8.618 -11.101 -0.034 1.00 0.00 C ATOM 1035 CD GLU A 68 8.105 -12.463 -0.460 1.00 0.00 C ATOM 1036 OE1 GLU A 68 8.053 -12.722 -1.680 1.00 0.00 O ATOM 1037 OE2 GLU A 68 7.754 -13.270 0.426 1.00 0.00 O ATOM 0 H GLU A 68 9.059 -8.836 0.618 1.00 0.00 H new ATOM 0 HA GLU A 68 11.227 -9.158 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.219 -11.488 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.742 -10.993 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.642 -11.050 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.923 -10.333 -0.374 1.00 0.00 H new ATOM 1044 N ALA A 69 8.213 -8.693 -2.353 1.00 0.00 N ATOM 1045 CA ALA A 69 7.416 -8.481 -3.557 1.00 0.00 C ATOM 1046 C ALA A 69 7.893 -7.274 -4.345 1.00 0.00 C ATOM 1047 O ALA A 69 7.483 -7.047 -5.483 1.00 0.00 O ATOM 1048 CB ALA A 69 5.955 -8.320 -3.192 1.00 0.00 C ATOM 0 H ALA A 69 7.746 -8.429 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 69 7.537 -9.359 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.369 -8.162 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.605 -9.220 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.838 -7.462 -2.530 1.00 0.00 H new ATOM 1054 N ALA A 70 8.756 -6.515 -3.720 1.00 0.00 N ATOM 1055 CA ALA A 70 9.318 -5.314 -4.327 1.00 0.00 C ATOM 1056 C ALA A 70 10.674 -5.600 -4.961 1.00 0.00 C ATOM 1057 O ALA A 70 10.907 -5.272 -6.125 1.00 0.00 O ATOM 1058 CB ALA A 70 9.443 -4.208 -3.291 1.00 0.00 C ATOM 0 H ALA A 70 9.095 -6.703 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 70 8.640 -4.986 -5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.864 -3.318 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.458 -3.975 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.097 -4.538 -2.484 1.00 0.00 H new ATOM 1064 N ASP A 71 11.568 -6.211 -4.191 1.00 0.00 N ATOM 1065 CA ASP A 71 12.902 -6.538 -4.680 1.00 0.00 C ATOM 1066 C ASP A 71 13.027 -8.035 -4.964 1.00 0.00 C ATOM 1067 O ASP A 71 12.879 -8.859 -4.061 1.00 0.00 O ATOM 1068 CB ASP A 71 13.961 -6.100 -3.662 1.00 0.00 C ATOM 1069 CG ASP A 71 13.883 -6.880 -2.366 1.00 0.00 C ATOM 1070 OD1 ASP A 71 12.803 -7.431 -2.065 1.00 0.00 O ATOM 1071 OD2 ASP A 71 14.903 -6.940 -1.648 1.00 0.00 O ATOM 0 H ASP A 71 11.393 -6.490 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 71 13.065 -6.000 -5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.952 -6.226 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.838 -5.038 -3.450 1.00 0.00 H new ATOM 1076 N PRO A 72 13.302 -8.413 -6.227 1.00 0.00 N ATOM 1077 CA PRO A 72 13.443 -9.822 -6.615 1.00 0.00 C ATOM 1078 C PRO A 72 14.698 -10.461 -6.030 1.00 0.00 C ATOM 1079 O PRO A 72 14.694 -11.637 -5.664 1.00 0.00 O ATOM 1080 CB PRO A 72 13.534 -9.765 -8.141 1.00 0.00 C ATOM 1081 CG PRO A 72 14.054 -8.403 -8.440 1.00 0.00 C ATOM 1082 CD PRO A 72 13.495 -7.504 -7.374 1.00 0.00 C ATOM 0 HA PRO A 72 12.616 -10.430 -6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.201 -10.536 -8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.559 -9.926 -8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.144 -8.390 -8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.741 -8.075 -9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.181 -6.692 -7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.556 -7.046 -7.686 1.00 0.00 H new ATOM 1090 N ASN A 73 15.770 -9.682 -5.947 1.00 0.00 N ATOM 1091 CA ASN A 73 17.033 -10.174 -5.408 1.00 0.00 C ATOM 1092 C ASN A 73 16.916 -10.447 -3.913 1.00 0.00 C ATOM 1093 O ASN A 73 17.564 -11.350 -3.382 1.00 0.00 O ATOM 1094 CB ASN A 73 18.151 -9.163 -5.668 1.00 0.00 C ATOM 1095 CG ASN A 73 18.271 -8.800 -7.134 1.00 0.00 C ATOM 1096 OD1 ASN A 73 18.257 -9.668 -8.006 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.392 -7.507 -7.415 1.00 0.00 N ATOM 0 H ASN A 73 15.790 -8.707 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 73 17.275 -11.110 -5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 73 17.963 -8.260 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.098 -9.575 -5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.478 -7.202 -8.384 1.00 0.00 H new ATOM 0 HD22 ASN A 73 18.399 -6.820 -6.661 1.00 0.00 H new ATOM 1104 N ASN A 74 16.093 -9.652 -3.235 1.00 0.00 N ATOM 1105 CA ASN A 74 15.894 -9.792 -1.799 1.00 0.00 C ATOM 1106 C ASN A 74 17.131 -9.323 -1.051 1.00 0.00 C ATOM 1107 O ASN A 74 17.552 -9.937 -0.070 1.00 0.00 O ATOM 1108 CB ASN A 74 15.575 -11.240 -1.424 1.00 0.00 C ATOM 1109 CG ASN A 74 14.543 -11.864 -2.345 1.00 0.00 C ATOM 1110 OD1 ASN A 74 13.998 -11.199 -3.225 1.00 0.00 O ATOM 1111 ND2 ASN A 74 14.271 -13.148 -2.144 1.00 0.00 N ATOM 0 H ASN A 74 15.551 -8.901 -3.662 1.00 0.00 H new ATOM 0 HA ASN A 74 15.044 -9.171 -1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.491 -11.831 -1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.210 -11.274 -0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.585 -13.622 -2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.748 -13.660 -1.402 1.00 0.00 H new ATOM 1118 N THR A 75 17.707 -8.226 -1.525 1.00 0.00 N ATOM 1119 CA THR A 75 18.897 -7.665 -0.906 1.00 0.00 C ATOM 1120 C THR A 75 18.517 -6.633 0.153 1.00 0.00 C ATOM 1121 O THR A 75 19.256 -5.680 0.403 1.00 0.00 O ATOM 1122 CB THR A 75 19.798 -7.031 -1.970 1.00 0.00 C ATOM 1123 OG1 THR A 75 20.804 -6.233 -1.372 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.045 -6.162 -2.955 1.00 0.00 C ATOM 0 H THR A 75 17.368 -7.708 -2.336 1.00 0.00 H new ATOM 0 HA THR A 75 19.445 -8.471 -0.418 1.00 0.00 H new ATOM 0 HB THR A 75 20.234 -7.871 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.386 -5.521 -0.844 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.744 -5.745 -3.680 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.299 -6.763 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.550 -5.351 -2.420 1.00 0.00 H new ATOM 1132 N GLY A 76 17.357 -6.829 0.771 1.00 0.00 N ATOM 1133 CA GLY A 76 16.891 -5.914 1.794 1.00 0.00 C ATOM 1134 C GLY A 76 16.812 -4.484 1.299 1.00 0.00 C ATOM 1135 O GLY A 76 16.919 -3.540 2.083 1.00 0.00 O ATOM 0 H GLY A 76 16.729 -7.610 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.907 -6.231 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.561 -5.962 2.653 1.00 0.00 H new ATOM 1139 N PHE A 77 16.623 -4.322 -0.005 1.00 0.00 N ATOM 1140 CA PHE A 77 16.524 -2.997 -0.603 1.00 0.00 C ATOM 1141 C PHE A 77 15.211 -2.847 -1.363 1.00 0.00 C ATOM 1142 O PHE A 77 14.564 -3.837 -1.704 1.00 0.00 O ATOM 1143 CB PHE A 77 17.707 -2.747 -1.542 1.00 0.00 C ATOM 1144 CG PHE A 77 18.786 -1.896 -0.932 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.784 -2.468 -0.161 1.00 0.00 C ATOM 1146 CD2 PHE A 77 18.802 -0.526 -1.132 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.778 -1.690 0.401 1.00 0.00 C ATOM 1148 CE2 PHE A 77 19.793 0.258 -0.574 1.00 0.00 C ATOM 1149 CZ PHE A 77 20.782 -0.324 0.194 1.00 0.00 C ATOM 0 H PHE A 77 16.535 -5.092 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 77 16.547 -2.258 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.134 -3.705 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.345 -2.265 -2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 77 19.785 -3.535 0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 77 18.031 -0.065 -1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 77 21.550 -2.149 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.794 1.325 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 77 21.557 0.287 0.632 1.00 0.00 H new ATOM 1159 N ILE A 78 14.819 -1.605 -1.622 1.00 0.00 N ATOM 1160 CA ILE A 78 13.580 -1.332 -2.337 1.00 0.00 C ATOM 1161 C ILE A 78 13.745 -0.199 -3.334 1.00 0.00 C ATOM 1162 O ILE A 78 14.493 0.751 -3.103 1.00 0.00 O ATOM 1163 CB ILE A 78 12.437 -0.941 -1.373 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.102 -2.083 -0.423 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.183 -0.536 -2.144 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.942 -1.758 0.491 1.00 0.00 C ATOM 0 H ILE A 78 15.341 -0.773 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 78 13.330 -2.256 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 78 12.786 -0.089 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.864 -2.975 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.979 -2.319 0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.395 -0.266 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.408 0.318 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.849 -1.371 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.746 -2.607 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.187 -0.883 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.055 -1.550 -0.107 1.00 0.00 H new ATOM 1178 N ASP A 79 12.986 -0.280 -4.415 1.00 0.00 N ATOM 1179 CA ASP A 79 12.982 0.760 -5.423 1.00 0.00 C ATOM 1180 C ASP A 79 11.790 1.663 -5.146 1.00 0.00 C ATOM 1181 O ASP A 79 10.666 1.345 -5.525 1.00 0.00 O ATOM 1182 CB ASP A 79 12.887 0.160 -6.828 1.00 0.00 C ATOM 1183 CG ASP A 79 13.823 0.837 -7.810 1.00 0.00 C ATOM 1184 OD1 ASP A 79 15.035 0.913 -7.519 1.00 0.00 O ATOM 1185 OD2 ASP A 79 13.342 1.292 -8.869 1.00 0.00 O ATOM 0 H ASP A 79 12.362 -1.062 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 79 13.911 1.329 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.120 -0.904 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.862 0.246 -7.189 1.00 0.00 H new ATOM 1190 N TYR A 80 12.043 2.766 -4.442 1.00 0.00 N ATOM 1191 CA TYR A 80 10.991 3.715 -4.057 1.00 0.00 C ATOM 1192 C TYR A 80 9.829 3.728 -5.048 1.00 0.00 C ATOM 1193 O TYR A 80 8.666 3.789 -4.649 1.00 0.00 O ATOM 1194 CB TYR A 80 11.571 5.122 -3.924 1.00 0.00 C ATOM 1195 CG TYR A 80 10.588 6.132 -3.376 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.006 5.958 -2.128 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.244 7.261 -4.109 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.107 6.881 -1.624 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.347 8.188 -3.614 1.00 0.00 C ATOM 1200 CZ TYR A 80 8.781 7.993 -2.371 1.00 0.00 C ATOM 1201 OH TYR A 80 7.888 8.913 -1.873 1.00 0.00 O ATOM 0 H TYR A 80 12.976 3.029 -4.123 1.00 0.00 H new ATOM 0 HA TYR A 80 10.599 3.384 -3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.444 5.086 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.917 5.457 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.259 5.088 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.685 7.417 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.663 6.731 -0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.090 9.060 -4.197 1.00 0.00 H new ATOM 0 HH TYR A 80 7.768 9.637 -2.522 1.00 0.00 H new ATOM 1211 N LYS A 81 10.146 3.665 -6.337 1.00 0.00 N ATOM 1212 CA LYS A 81 9.117 3.665 -7.367 1.00 0.00 C ATOM 1213 C LYS A 81 8.284 2.390 -7.292 1.00 0.00 C ATOM 1214 O LYS A 81 7.061 2.447 -7.170 1.00 0.00 O ATOM 1215 CB LYS A 81 9.747 3.802 -8.756 1.00 0.00 C ATOM 1216 CG LYS A 81 10.117 5.232 -9.115 1.00 0.00 C ATOM 1217 CD LYS A 81 11.266 5.276 -10.109 1.00 0.00 C ATOM 1218 CE LYS A 81 12.614 5.221 -9.407 1.00 0.00 C ATOM 1219 NZ LYS A 81 13.212 3.858 -9.460 1.00 0.00 N ATOM 0 H LYS A 81 11.101 3.614 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 81 8.463 4.519 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.641 3.181 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.051 3.417 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.249 5.739 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.395 5.775 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.181 4.439 -10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.201 6.188 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.295 5.934 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.495 5.525 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.233 3.919 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.763 3.254 -8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.058 3.448 -10.403 1.00 0.00 H new ATOM 1233 N ALA A 82 8.950 1.241 -7.345 1.00 0.00 N ATOM 1234 CA ALA A 82 8.263 -0.043 -7.263 1.00 0.00 C ATOM 1235 C ALA A 82 7.369 -0.092 -6.028 1.00 0.00 C ATOM 1236 O ALA A 82 6.367 -0.807 -5.998 1.00 0.00 O ATOM 1237 CB ALA A 82 9.269 -1.184 -7.229 1.00 0.00 C ATOM 0 H ALA A 82 9.963 1.173 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 82 7.639 -0.155 -8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.739 -2.135 -7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.873 -1.163 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.916 -1.073 -6.359 1.00 0.00 H new ATOM 1243 N PHE A 83 7.745 0.677 -5.011 1.00 0.00 N ATOM 1244 CA PHE A 83 6.990 0.733 -3.769 1.00 0.00 C ATOM 1245 C PHE A 83 5.945 1.845 -3.817 1.00 0.00 C ATOM 1246 O PHE A 83 4.880 1.737 -3.210 1.00 0.00 O ATOM 1247 CB PHE A 83 7.939 0.951 -2.590 1.00 0.00 C ATOM 1248 CG PHE A 83 7.860 -0.136 -1.559 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.124 -1.450 -1.905 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.517 0.155 -0.248 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.049 -2.456 -0.964 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.440 -0.850 0.699 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.707 -2.156 0.340 1.00 0.00 C ATOM 0 H PHE A 83 8.573 1.272 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 83 6.471 -0.216 -3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.961 1.016 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.710 1.907 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.392 -1.690 -2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.308 1.176 0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.258 -3.477 -1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.171 -0.613 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.648 -2.942 1.078 1.00 0.00 H new ATOM 1263 N ALA A 84 6.260 2.912 -4.544 1.00 0.00 N ATOM 1264 CA ALA A 84 5.352 4.047 -4.675 1.00 0.00 C ATOM 1265 C ALA A 84 4.312 3.811 -5.768 1.00 0.00 C ATOM 1266 O ALA A 84 3.261 4.450 -5.785 1.00 0.00 O ATOM 1267 CB ALA A 84 6.139 5.318 -4.961 1.00 0.00 C ATOM 0 H ALA A 84 7.138 3.015 -5.052 1.00 0.00 H new ATOM 0 HA ALA A 84 4.820 4.160 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.451 6.158 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.833 5.508 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.698 5.199 -5.889 1.00 0.00 H new ATOM 1273 N ALA A 85 4.614 2.893 -6.684 1.00 0.00 N ATOM 1274 CA ALA A 85 3.706 2.580 -7.783 1.00 0.00 C ATOM 1275 C ALA A 85 2.501 1.785 -7.314 1.00 0.00 C ATOM 1276 O ALA A 85 1.527 1.606 -8.044 1.00 0.00 O ATOM 1277 CB ALA A 85 4.441 1.827 -8.875 1.00 0.00 C ATOM 0 H ALA A 85 5.480 2.354 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 85 3.339 3.525 -8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.751 1.600 -9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.259 2.441 -9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.842 0.898 -8.470 1.00 0.00 H new ATOM 1283 N MET A 86 2.584 1.321 -6.091 1.00 0.00 N ATOM 1284 CA MET A 86 1.516 0.539 -5.482 1.00 0.00 C ATOM 1285 C MET A 86 0.384 1.448 -5.019 1.00 0.00 C ATOM 1286 O MET A 86 -0.790 1.083 -5.090 1.00 0.00 O ATOM 1287 CB MET A 86 2.054 -0.269 -4.299 1.00 0.00 C ATOM 1288 CG MET A 86 1.283 -1.550 -4.036 1.00 0.00 C ATOM 1289 SD MET A 86 1.555 -2.799 -5.307 1.00 0.00 S ATOM 1290 CE MET A 86 2.992 -3.642 -4.653 1.00 0.00 C ATOM 0 H MET A 86 3.390 1.470 -5.484 1.00 0.00 H new ATOM 0 HA MET A 86 1.127 -0.150 -6.232 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.099 -0.516 -4.484 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.027 0.352 -3.404 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.577 -1.954 -3.067 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.219 -1.323 -3.977 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.283 -4.445 -5.331 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.815 -2.935 -4.555 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.754 -4.061 -3.675 1.00 0.00 H new ATOM 1300 N LEU A 87 0.748 2.637 -4.549 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.236 3.607 -4.076 1.00 0.00 C ATOM 1302 C LEU A 87 -0.581 4.611 -5.155 1.00 0.00 C ATOM 1303 O LEU A 87 -1.470 5.449 -5.002 1.00 0.00 O ATOM 1304 CB LEU A 87 0.297 4.335 -2.855 1.00 0.00 C ATOM 1305 CG LEU A 87 0.398 3.491 -1.585 1.00 0.00 C ATOM 1306 CD1 LEU A 87 1.575 2.532 -1.673 1.00 0.00 C ATOM 1307 CD2 LEU A 87 0.529 4.387 -0.362 1.00 0.00 C ATOM 0 H LEU A 87 1.716 2.953 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.143 3.063 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.286 4.729 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.347 5.191 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.515 2.904 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.631 1.940 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.441 1.869 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.498 3.099 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.600 3.771 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.426 4.999 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.345 5.034 -0.290 1.00 0.00 H new ATOM 1319 N TYR A 88 0.136 4.500 -6.235 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.041 5.371 -7.390 1.00 0.00 C ATOM 1321 C TYR A 88 -0.355 4.562 -8.645 1.00 0.00 C ATOM 1322 O TYR A 88 -0.152 5.031 -9.764 1.00 0.00 O ATOM 1323 CB TYR A 88 1.211 6.221 -7.616 1.00 0.00 C ATOM 1324 CG TYR A 88 1.581 7.081 -6.429 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.612 7.809 -5.746 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.896 7.167 -5.992 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.948 8.598 -4.662 1.00 0.00 C ATOM 1328 CE2 TYR A 88 3.237 7.952 -4.907 1.00 0.00 C ATOM 1329 CZ TYR A 88 2.260 8.666 -4.245 1.00 0.00 C ATOM 1330 OH TYR A 88 2.595 9.450 -3.165 1.00 0.00 O ATOM 0 H TYR A 88 0.869 3.801 -6.353 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.885 6.029 -7.186 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.048 5.564 -7.853 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.053 6.862 -8.483 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.418 7.757 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.665 6.611 -6.508 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.185 9.159 -4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.264 8.006 -4.579 1.00 0.00 H new ATOM 0 HH TYR A 88 3.559 9.386 -3.001 1.00 0.00 H new ATOM 1340 N SER A 89 -0.854 3.346 -8.450 1.00 0.00 N ATOM 1341 CA SER A 89 -1.201 2.473 -9.567 1.00 0.00 C ATOM 1342 C SER A 89 -2.687 2.575 -9.902 1.00 0.00 C ATOM 1343 O SER A 89 -3.291 1.614 -10.380 1.00 0.00 O ATOM 1344 CB SER A 89 -0.839 1.023 -9.241 1.00 0.00 C ATOM 1345 OG SER A 89 -0.851 0.797 -7.843 1.00 0.00 O ATOM 0 H SER A 89 -1.027 2.942 -7.530 1.00 0.00 H new ATOM 0 HA SER A 89 -0.629 2.797 -10.437 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.545 0.350 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.148 0.792 -9.641 1.00 0.00 H new ATOM 0 HG SER A 89 -0.029 1.155 -7.447 1.00 0.00 H new