USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=12 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 Set 1.1: A 25 LYS NZ :NH3+ -177:sc= 0.597 (180deg=0.428) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= 0.0227 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 1.12 K(o=1.1,f=-0.083) USER MOD Single : A 44 SER OG : rot -170:sc= -1.73 USER MOD Single : A 58 MET CE :methyl -163:sc= -4.49! (180deg=-5.48!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 64 THR OG1 : rot 81:sc= 0.212 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.47) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 152:sc= -0.464 (180deg=-1.49!) USER MOD Single : A 89 SER OG : rot -58:sc= 0.27 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.815 4.128 1.060 1.00 0.00 N ATOM 351 CA LYS A 25 -4.436 4.568 0.889 1.00 0.00 C ATOM 352 C LYS A 25 -4.097 5.679 1.878 1.00 0.00 C ATOM 353 O LYS A 25 -2.955 5.802 2.321 1.00 0.00 O ATOM 354 CB LYS A 25 -4.204 5.056 -0.542 1.00 0.00 C ATOM 355 CG LYS A 25 -2.737 5.113 -0.934 1.00 0.00 C ATOM 356 CD LYS A 25 -2.429 6.350 -1.760 1.00 0.00 C ATOM 357 CE LYS A 25 -2.015 7.519 -0.880 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.680 8.728 -1.681 1.00 0.00 N ATOM 0 HA LYS A 25 -3.783 3.717 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.731 4.397 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.640 6.049 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.119 5.111 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.476 4.220 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.631 6.126 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.307 6.626 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.823 7.755 -0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.153 7.232 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.354 9.485 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.927 8.497 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.525 9.048 -2.197 1.00 0.00 H new ATOM 372 N THR A 26 -5.096 6.491 2.215 1.00 0.00 N ATOM 373 CA THR A 26 -4.901 7.595 3.149 1.00 0.00 C ATOM 374 C THR A 26 -4.341 7.096 4.472 1.00 0.00 C ATOM 375 O THR A 26 -3.641 7.825 5.173 1.00 0.00 O ATOM 376 CB THR A 26 -6.204 8.367 3.365 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.286 7.729 2.712 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.134 9.791 2.853 1.00 0.00 C ATOM 0 H THR A 26 -6.047 6.405 1.856 1.00 0.00 H new ATOM 0 HA THR A 26 -4.174 8.279 2.712 1.00 0.00 H new ATOM 0 HB THR A 26 -6.357 8.385 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.108 8.240 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.086 10.290 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.340 10.326 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.925 9.783 1.783 1.00 0.00 H new ATOM 386 N GLN A 27 -4.618 5.839 4.802 1.00 0.00 N ATOM 387 CA GLN A 27 -4.098 5.257 6.031 1.00 0.00 C ATOM 388 C GLN A 27 -2.572 5.253 5.985 1.00 0.00 C ATOM 389 O GLN A 27 -1.904 5.227 7.019 1.00 0.00 O ATOM 390 CB GLN A 27 -4.625 3.832 6.214 1.00 0.00 C ATOM 391 CG GLN A 27 -6.138 3.754 6.336 1.00 0.00 C ATOM 392 CD GLN A 27 -6.638 2.329 6.480 1.00 0.00 C ATOM 393 OE1 GLN A 27 -6.773 1.815 7.590 1.00 0.00 O ATOM 394 NE2 GLN A 27 -6.915 1.684 5.353 1.00 0.00 N ATOM 0 H GLN A 27 -5.193 5.210 4.242 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.432 5.856 6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.305 3.224 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.174 3.399 7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.460 4.337 7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.594 4.208 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.788 2.150 4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.255 0.723 5.386 1.00 0.00 H new ATOM 403 N LEU A 28 -2.034 5.287 4.766 1.00 0.00 N ATOM 404 CA LEU A 28 -0.594 5.298 4.545 1.00 0.00 C ATOM 405 C LEU A 28 -0.044 6.716 4.545 1.00 0.00 C ATOM 406 O LEU A 28 1.166 6.939 4.586 1.00 0.00 O ATOM 407 CB LEU A 28 -0.279 4.617 3.216 1.00 0.00 C ATOM 408 CG LEU A 28 1.207 4.496 2.857 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.702 5.771 2.187 1.00 0.00 C ATOM 410 CD2 LEU A 28 2.040 4.176 4.092 1.00 0.00 C ATOM 0 H LEU A 28 -2.585 5.308 3.908 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.117 4.755 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.711 3.616 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.781 5.168 2.420 1.00 0.00 H new ATOM 0 HG LEU A 28 1.320 3.673 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.758 5.666 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.132 5.948 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.570 6.613 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.090 4.095 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.921 4.972 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.706 3.232 4.522 1.00 0.00 H new ATOM 422 N ILE A 29 -0.957 7.658 4.498 1.00 0.00 N ATOM 423 CA ILE A 29 -0.621 9.082 4.490 1.00 0.00 C ATOM 424 C ILE A 29 0.028 9.516 5.785 1.00 0.00 C ATOM 425 O ILE A 29 0.617 10.592 5.891 1.00 0.00 O ATOM 426 CB ILE A 29 -1.868 9.938 4.240 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.445 9.644 2.859 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.560 11.425 4.400 1.00 0.00 C ATOM 429 CD1 ILE A 29 -1.709 10.301 1.721 1.00 0.00 C ATOM 0 H ILE A 29 -1.959 7.469 4.464 1.00 0.00 H new ATOM 0 HA ILE A 29 0.092 9.230 3.679 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.616 9.676 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.444 8.566 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.485 9.968 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.464 12.006 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.205 11.616 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.790 11.716 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.188 10.037 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.732 11.383 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.674 9.959 1.711 1.00 0.00 H new ATOM 441 N GLU A 30 -0.095 8.657 6.748 1.00 0.00 N ATOM 442 CA GLU A 30 0.465 8.880 8.076 1.00 0.00 C ATOM 443 C GLU A 30 1.971 8.674 8.096 1.00 0.00 C ATOM 444 O GLU A 30 2.618 8.786 9.137 1.00 0.00 O ATOM 445 CB GLU A 30 -0.213 7.982 9.112 1.00 0.00 C ATOM 446 CG GLU A 30 -1.682 8.307 9.333 1.00 0.00 C ATOM 447 CD GLU A 30 -1.921 9.079 10.615 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.812 8.473 11.701 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.220 10.288 10.533 1.00 0.00 O ATOM 0 H GLU A 30 -0.588 7.769 6.650 1.00 0.00 H new ATOM 0 HA GLU A 30 0.271 9.920 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.123 6.943 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.317 8.072 10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.053 8.888 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.256 7.380 9.359 1.00 0.00 H new ATOM 456 N ALA A 31 2.513 8.375 6.934 1.00 0.00 N ATOM 457 CA ALA A 31 3.946 8.151 6.783 1.00 0.00 C ATOM 458 C ALA A 31 4.661 9.435 6.379 1.00 0.00 C ATOM 459 O ALA A 31 5.836 9.628 6.694 1.00 0.00 O ATOM 460 CB ALA A 31 4.202 7.056 5.758 1.00 0.00 C ATOM 0 H ALA A 31 1.981 8.279 6.069 1.00 0.00 H new ATOM 0 HA ALA A 31 4.344 7.832 7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.276 6.898 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.730 6.131 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.785 7.353 4.796 1.00 0.00 H new ATOM 466 N PHE A 32 3.947 10.312 5.681 1.00 0.00 N ATOM 467 CA PHE A 32 4.512 11.579 5.232 1.00 0.00 C ATOM 468 C PHE A 32 5.033 12.395 6.413 1.00 0.00 C ATOM 469 O PHE A 32 5.912 13.242 6.253 1.00 0.00 O ATOM 470 CB PHE A 32 3.463 12.385 4.461 1.00 0.00 C ATOM 471 CG PHE A 32 3.984 12.985 3.187 1.00 0.00 C ATOM 472 CD1 PHE A 32 5.158 13.720 3.182 1.00 0.00 C ATOM 473 CD2 PHE A 32 3.298 12.814 1.995 1.00 0.00 C ATOM 474 CE1 PHE A 32 5.641 14.273 2.011 1.00 0.00 C ATOM 475 CE2 PHE A 32 3.775 13.364 0.820 1.00 0.00 C ATOM 476 CZ PHE A 32 4.949 14.095 0.828 1.00 0.00 C ATOM 0 H PHE A 32 2.973 10.168 5.414 1.00 0.00 H new ATOM 0 HA PHE A 32 5.350 11.359 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.618 11.737 4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.087 13.183 5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.702 13.863 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.380 12.245 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.558 14.843 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.232 13.223 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.324 14.526 -0.088 1.00 0.00 H new ATOM 486 N TYR A 33 4.484 12.138 7.596 1.00 0.00 N ATOM 487 CA TYR A 33 4.897 12.851 8.801 1.00 0.00 C ATOM 488 C TYR A 33 5.926 12.045 9.587 1.00 0.00 C ATOM 489 O TYR A 33 5.999 12.140 10.813 1.00 0.00 O ATOM 490 CB TYR A 33 3.683 13.147 9.683 1.00 0.00 C ATOM 491 CG TYR A 33 2.595 13.924 8.977 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.800 13.321 8.010 1.00 0.00 C ATOM 493 CD2 TYR A 33 2.362 15.259 9.279 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.804 14.028 7.363 1.00 0.00 C ATOM 495 CE2 TYR A 33 1.367 15.973 8.636 1.00 0.00 C ATOM 496 CZ TYR A 33 0.591 15.353 7.680 1.00 0.00 C ATOM 497 OH TYR A 33 -0.399 16.060 7.039 1.00 0.00 O ATOM 0 H TYR A 33 3.753 11.443 7.747 1.00 0.00 H new ATOM 0 HA TYR A 33 5.356 13.792 8.497 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.269 12.206 10.044 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.009 13.709 10.558 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.963 12.283 7.760 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.967 15.748 10.028 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.196 13.545 6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.199 17.011 8.882 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.418 16.979 7.380 1.00 0.00 H new ATOM 507 N ASN A 34 6.722 11.253 8.875 1.00 0.00 N ATOM 508 CA ASN A 34 7.749 10.432 9.507 1.00 0.00 C ATOM 509 C ASN A 34 8.553 9.668 8.461 1.00 0.00 C ATOM 510 O ASN A 34 8.925 8.512 8.669 1.00 0.00 O ATOM 511 CB ASN A 34 7.111 9.450 10.494 1.00 0.00 C ATOM 512 CG ASN A 34 8.022 9.131 11.662 1.00 0.00 C ATOM 513 OD1 ASN A 34 7.697 9.416 12.814 1.00 0.00 O ATOM 514 ND2 ASN A 34 9.173 8.536 11.369 1.00 0.00 N ATOM 0 H ASN A 34 6.675 11.162 7.860 1.00 0.00 H new ATOM 0 HA ASN A 34 8.426 11.093 10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.178 9.871 10.869 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.858 8.527 9.972 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.828 8.297 12.114 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.402 8.318 10.399 1.00 0.00 H new ATOM 612 N PHE A 42 14.457 7.333 -2.563 1.00 0.00 N ATOM 613 CA PHE A 42 15.018 5.990 -2.513 1.00 0.00 C ATOM 614 C PHE A 42 15.328 5.580 -1.076 1.00 0.00 C ATOM 615 O PHE A 42 16.068 6.267 -0.371 1.00 0.00 O ATOM 616 CB PHE A 42 16.288 5.911 -3.364 1.00 0.00 C ATOM 617 CG PHE A 42 16.023 5.957 -4.842 1.00 0.00 C ATOM 618 CD1 PHE A 42 15.336 4.930 -5.468 1.00 0.00 C ATOM 619 CD2 PHE A 42 16.462 7.028 -5.604 1.00 0.00 C ATOM 620 CE1 PHE A 42 15.091 4.970 -6.828 1.00 0.00 C ATOM 621 CE2 PHE A 42 16.220 7.073 -6.963 1.00 0.00 C ATOM 622 CZ PHE A 42 15.533 6.043 -7.577 1.00 0.00 C ATOM 0 HA PHE A 42 14.276 5.300 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.948 6.736 -3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.818 4.989 -3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 42 14.988 4.089 -4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.999 7.836 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.554 4.163 -7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 42 16.568 7.913 -7.546 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.342 6.077 -8.639 1.00 0.00 H new ATOM 632 N VAL A 43 14.758 4.458 -0.650 1.00 0.00 N ATOM 633 CA VAL A 43 14.975 3.958 0.702 1.00 0.00 C ATOM 634 C VAL A 43 15.317 2.472 0.687 1.00 0.00 C ATOM 635 O VAL A 43 15.003 1.761 -0.267 1.00 0.00 O ATOM 636 CB VAL A 43 13.735 4.185 1.592 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.536 3.421 1.049 1.00 0.00 C ATOM 638 CG2 VAL A 43 14.027 3.785 3.031 1.00 0.00 C ATOM 0 H VAL A 43 14.143 3.878 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 43 15.814 4.516 1.117 1.00 0.00 H new ATOM 0 HB VAL A 43 13.493 5.248 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.673 3.595 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.312 3.765 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.763 2.355 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.140 3.953 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.299 2.730 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.851 4.385 3.415 1.00 0.00 H new ATOM 648 N SER A 44 15.964 2.010 1.751 1.00 0.00 N ATOM 649 CA SER A 44 16.352 0.609 1.862 1.00 0.00 C ATOM 650 C SER A 44 15.501 -0.110 2.903 1.00 0.00 C ATOM 651 O SER A 44 15.047 0.496 3.873 1.00 0.00 O ATOM 652 CB SER A 44 17.831 0.495 2.229 1.00 0.00 C ATOM 653 OG SER A 44 18.059 0.916 3.565 1.00 0.00 O ATOM 0 H SER A 44 16.231 2.586 2.550 1.00 0.00 H new ATOM 0 HA SER A 44 16.188 0.135 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.161 -0.537 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.426 1.102 1.546 1.00 0.00 H new ATOM 0 HG SER A 44 19.023 0.985 3.726 1.00 0.00 H new ATOM 659 N VAL A 45 15.296 -1.408 2.699 1.00 0.00 N ATOM 660 CA VAL A 45 14.505 -2.212 3.625 1.00 0.00 C ATOM 661 C VAL A 45 15.070 -2.129 5.039 1.00 0.00 C ATOM 662 O VAL A 45 14.350 -1.838 5.993 1.00 0.00 O ATOM 663 CB VAL A 45 14.463 -3.690 3.185 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.673 -4.532 4.176 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.876 -3.817 1.787 1.00 0.00 C ATOM 0 H VAL A 45 15.666 -1.925 1.902 1.00 0.00 H new ATOM 0 HA VAL A 45 13.492 -1.809 3.616 1.00 0.00 H new ATOM 0 HB VAL A 45 15.486 -4.065 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.659 -5.569 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 45 14.142 -4.473 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.651 -4.157 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.855 -4.867 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.862 -3.418 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.490 -3.257 1.082 1.00 0.00 H new ATOM 675 N GLU A 46 16.369 -2.389 5.163 1.00 0.00 N ATOM 676 CA GLU A 46 17.042 -2.349 6.459 1.00 0.00 C ATOM 677 C GLU A 46 16.679 -1.081 7.226 1.00 0.00 C ATOM 678 O GLU A 46 16.632 -1.078 8.456 1.00 0.00 O ATOM 679 CB GLU A 46 18.557 -2.434 6.269 1.00 0.00 C ATOM 680 CG GLU A 46 18.987 -3.505 5.280 1.00 0.00 C ATOM 681 CD GLU A 46 20.460 -3.848 5.396 1.00 0.00 C ATOM 682 OE1 GLU A 46 21.289 -3.098 4.839 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.782 -4.866 6.041 1.00 0.00 O ATOM 0 H GLU A 46 16.978 -2.630 4.381 1.00 0.00 H new ATOM 0 HA GLU A 46 16.707 -3.207 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.927 -1.467 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 46 19.025 -2.633 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.394 -4.405 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.776 -3.164 4.266 1.00 0.00 H new ATOM 690 N GLU A 47 16.418 -0.007 6.488 1.00 0.00 N ATOM 691 CA GLU A 47 16.050 1.268 7.094 1.00 0.00 C ATOM 692 C GLU A 47 14.535 1.430 7.118 1.00 0.00 C ATOM 693 O GLU A 47 13.981 2.070 8.011 1.00 0.00 O ATOM 694 CB GLU A 47 16.686 2.426 6.324 1.00 0.00 C ATOM 695 CG GLU A 47 18.163 2.220 6.025 1.00 0.00 C ATOM 696 CD GLU A 47 19.051 2.591 7.196 1.00 0.00 C ATOM 697 OE1 GLU A 47 18.930 3.729 7.697 1.00 0.00 O ATOM 698 OE2 GLU A 47 19.869 1.743 7.612 1.00 0.00 O ATOM 0 H GLU A 47 16.454 0.006 5.469 1.00 0.00 H new ATOM 0 HA GLU A 47 16.420 1.280 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.150 2.565 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.565 3.344 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.334 1.177 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.442 2.819 5.158 1.00 0.00 H new ATOM 705 N PHE A 48 13.872 0.845 6.126 1.00 0.00 N ATOM 706 CA PHE A 48 12.421 0.917 6.019 1.00 0.00 C ATOM 707 C PHE A 48 11.749 0.242 7.212 1.00 0.00 C ATOM 708 O PHE A 48 10.700 0.684 7.678 1.00 0.00 O ATOM 709 CB PHE A 48 11.960 0.257 4.717 1.00 0.00 C ATOM 710 CG PHE A 48 10.871 1.010 4.006 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.842 1.609 4.716 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.879 1.117 2.625 1.00 0.00 C ATOM 713 CE1 PHE A 48 8.841 2.300 4.060 1.00 0.00 C ATOM 714 CE2 PHE A 48 9.880 1.808 1.963 1.00 0.00 C ATOM 715 CZ PHE A 48 8.860 2.400 2.683 1.00 0.00 C ATOM 0 H PHE A 48 14.321 0.313 5.381 1.00 0.00 H new ATOM 0 HA PHE A 48 12.131 1.968 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.815 0.157 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.608 -0.751 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.822 1.535 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.674 0.656 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.044 2.762 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.897 1.885 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.079 2.940 2.169 1.00 0.00 H new ATOM 725 N ARG A 49 12.361 -0.834 7.700 1.00 0.00 N ATOM 726 CA ARG A 49 11.821 -1.574 8.836 1.00 0.00 C ATOM 727 C ARG A 49 11.617 -0.659 10.038 1.00 0.00 C ATOM 728 O ARG A 49 10.532 -0.612 10.618 1.00 0.00 O ATOM 729 CB ARG A 49 12.755 -2.726 9.211 1.00 0.00 C ATOM 730 CG ARG A 49 12.597 -3.950 8.325 1.00 0.00 C ATOM 731 CD ARG A 49 13.231 -5.180 8.957 1.00 0.00 C ATOM 732 NE ARG A 49 12.518 -6.405 8.603 1.00 0.00 N ATOM 733 CZ ARG A 49 12.615 -7.002 7.417 1.00 0.00 C ATOM 734 NH1 ARG A 49 13.392 -6.493 6.469 1.00 0.00 N ATOM 735 NH2 ARG A 49 11.933 -8.114 7.178 1.00 0.00 N ATOM 0 H ARG A 49 13.231 -1.213 7.326 1.00 0.00 H new ATOM 0 HA ARG A 49 10.852 -1.979 8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.787 -2.379 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.569 -3.011 10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.538 -4.136 8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.056 -3.760 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.269 -5.259 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.241 -5.066 10.041 1.00 0.00 H new ATOM 0 HE ARG A 49 11.911 -6.827 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.920 -5.639 6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.461 -6.956 5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.335 -8.511 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.007 -8.572 6.270 1.00 0.00 H new ATOM 749 N GLY A 50 12.665 0.069 10.410 1.00 0.00 N ATOM 750 CA GLY A 50 12.578 0.974 11.543 1.00 0.00 C ATOM 751 C GLY A 50 11.466 1.992 11.385 1.00 0.00 C ATOM 752 O GLY A 50 10.911 2.474 12.373 1.00 0.00 O ATOM 0 H GLY A 50 13.574 0.049 9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.413 0.398 12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.528 1.494 11.663 1.00 0.00 H new ATOM 756 N ILE A 51 11.138 2.318 10.138 1.00 0.00 N ATOM 757 CA ILE A 51 10.083 3.282 9.851 1.00 0.00 C ATOM 758 C ILE A 51 8.706 2.631 9.934 1.00 0.00 C ATOM 759 O ILE A 51 7.706 3.301 10.184 1.00 0.00 O ATOM 760 CB ILE A 51 10.256 3.907 8.454 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.709 4.335 8.239 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.319 5.093 8.283 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.014 4.744 6.815 1.00 0.00 C ATOM 0 H ILE A 51 11.589 1.928 9.310 1.00 0.00 H new ATOM 0 HA ILE A 51 10.160 4.066 10.604 1.00 0.00 H new ATOM 0 HB ILE A 51 10.002 3.158 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.936 5.168 8.904 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.367 3.513 8.521 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.454 5.523 7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.287 4.761 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.544 5.846 9.038 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.062 5.035 6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.819 3.906 6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.382 5.586 6.535 1.00 0.00 H new ATOM 775 N ILE A 52 8.665 1.320 9.721 1.00 0.00 N ATOM 776 CA ILE A 52 7.410 0.576 9.769 1.00 0.00 C ATOM 777 C ILE A 52 7.170 -0.006 11.160 1.00 0.00 C ATOM 778 O ILE A 52 6.129 0.232 11.773 1.00 0.00 O ATOM 779 CB ILE A 52 7.399 -0.566 8.732 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.599 -0.005 7.324 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.097 -1.352 8.815 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.445 0.850 6.845 1.00 0.00 C ATOM 0 H ILE A 52 9.485 0.750 9.514 1.00 0.00 H new ATOM 0 HA ILE A 52 6.611 1.279 9.532 1.00 0.00 H new ATOM 0 HB ILE A 52 8.222 -1.245 8.955 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.513 0.588 7.304 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.741 -0.832 6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.108 -2.153 8.076 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.993 -1.780 9.812 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.257 -0.686 8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.655 1.214 5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.532 0.255 6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.316 1.697 7.518 1.00 0.00 H new ATOM 794 N ARG A 53 8.138 -0.775 11.648 1.00 0.00 N ATOM 795 CA ARG A 53 8.031 -1.400 12.962 1.00 0.00 C ATOM 796 C ARG A 53 7.811 -0.359 14.055 1.00 0.00 C ATOM 797 O ARG A 53 7.119 -0.621 15.040 1.00 0.00 O ATOM 798 CB ARG A 53 9.294 -2.210 13.264 1.00 0.00 C ATOM 799 CG ARG A 53 9.263 -3.620 12.696 1.00 0.00 C ATOM 800 CD ARG A 53 10.070 -3.721 11.411 1.00 0.00 C ATOM 801 NE ARG A 53 10.790 -4.990 11.316 1.00 0.00 N ATOM 802 CZ ARG A 53 11.775 -5.345 12.138 1.00 0.00 C ATOM 803 NH1 ARG A 53 12.159 -4.534 13.115 1.00 0.00 N ATOM 804 NH2 ARG A 53 12.376 -6.517 11.983 1.00 0.00 N ATOM 0 H ARG A 53 9.006 -0.981 11.153 1.00 0.00 H new ATOM 0 HA ARG A 53 7.168 -2.065 12.947 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.159 -1.683 12.860 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.431 -2.265 14.344 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.660 -4.319 13.432 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.231 -3.913 12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.403 -3.617 10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.781 -2.896 11.363 1.00 0.00 H new ATOM 0 HE ARG A 53 10.522 -5.641 10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.699 -3.632 13.240 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.914 -4.812 13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.083 -7.145 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.131 -6.790 12.612 1.00 0.00 H new ATOM 818 N ASP A 54 8.405 0.815 13.883 1.00 0.00 N ATOM 819 CA ASP A 54 8.275 1.888 14.863 1.00 0.00 C ATOM 820 C ASP A 54 7.462 3.059 14.313 1.00 0.00 C ATOM 821 O ASP A 54 7.477 4.151 14.880 1.00 0.00 O ATOM 822 CB ASP A 54 9.658 2.377 15.297 1.00 0.00 C ATOM 823 CG ASP A 54 9.707 2.746 16.767 1.00 0.00 C ATOM 824 OD1 ASP A 54 8.861 2.242 17.533 1.00 0.00 O ATOM 825 OD2 ASP A 54 10.592 3.539 17.151 1.00 0.00 O ATOM 0 H ASP A 54 8.981 1.049 13.075 1.00 0.00 H new ATOM 0 HA ASP A 54 7.744 1.484 15.725 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.395 1.599 15.096 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.938 3.244 14.698 1.00 0.00 H new ATOM 830 N GLY A 55 6.755 2.831 13.208 1.00 0.00 N ATOM 831 CA GLY A 55 5.956 3.890 12.617 1.00 0.00 C ATOM 832 C GLY A 55 4.542 3.449 12.293 1.00 0.00 C ATOM 833 O GLY A 55 3.639 3.576 13.119 1.00 0.00 O ATOM 0 H GLY A 55 6.721 1.939 12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.919 4.737 13.302 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.441 4.239 11.705 1.00 0.00 H new ATOM 837 N LEU A 56 4.348 2.936 11.082 1.00 0.00 N ATOM 838 CA LEU A 56 3.035 2.482 10.646 1.00 0.00 C ATOM 839 C LEU A 56 2.789 1.030 11.051 1.00 0.00 C ATOM 840 O LEU A 56 3.692 0.198 10.983 1.00 0.00 O ATOM 841 CB LEU A 56 2.901 2.627 9.128 1.00 0.00 C ATOM 842 CG LEU A 56 2.817 4.067 8.618 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.150 4.775 8.800 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.393 4.090 7.157 1.00 0.00 C ATOM 0 H LEU A 56 5.085 2.825 10.386 1.00 0.00 H new ATOM 0 HA LEU A 56 2.287 3.105 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.754 2.140 8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.009 2.091 8.805 1.00 0.00 H new ATOM 0 HG LEU A 56 2.065 4.597 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.072 5.798 8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.413 4.789 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.922 4.246 8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.338 5.122 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.122 3.544 6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.415 3.620 7.055 1.00 0.00 H new ATOM 856 N PRO A 57 1.554 0.705 11.476 1.00 0.00 N ATOM 857 CA PRO A 57 1.195 -0.651 11.888 1.00 0.00 C ATOM 858 C PRO A 57 0.952 -1.571 10.700 1.00 0.00 C ATOM 859 O PRO A 57 0.099 -1.301 9.855 1.00 0.00 O ATOM 860 CB PRO A 57 -0.095 -0.442 12.678 1.00 0.00 C ATOM 861 CG PRO A 57 -0.723 0.756 12.053 1.00 0.00 C ATOM 862 CD PRO A 57 0.412 1.634 11.587 1.00 0.00 C ATOM 0 HA PRO A 57 1.989 -1.132 12.458 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.747 -1.313 12.611 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.109 -0.277 13.736 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.361 0.469 11.217 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.353 1.283 12.769 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.186 2.106 10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.616 2.435 12.298 1.00 0.00 H new ATOM 870 N MET A 58 1.711 -2.657 10.644 1.00 0.00 N ATOM 871 CA MET A 58 1.584 -3.620 9.562 1.00 0.00 C ATOM 872 C MET A 58 2.067 -4.997 10.004 1.00 0.00 C ATOM 873 O MET A 58 3.096 -5.122 10.668 1.00 0.00 O ATOM 874 CB MET A 58 2.380 -3.148 8.341 1.00 0.00 C ATOM 875 CG MET A 58 1.533 -2.981 7.089 1.00 0.00 C ATOM 876 SD MET A 58 2.379 -2.048 5.798 1.00 0.00 S ATOM 877 CE MET A 58 3.055 -3.376 4.802 1.00 0.00 C ATOM 0 H MET A 58 2.422 -2.892 11.337 1.00 0.00 H new ATOM 0 HA MET A 58 0.531 -3.697 9.292 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.859 -2.197 8.575 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.176 -3.864 8.138 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.263 -3.964 6.704 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.604 -2.474 7.349 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.840 -2.983 4.156 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.472 -4.144 5.454 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.265 -3.810 4.190 1.00 0.00 H new ATOM 887 N THR A 59 1.319 -6.026 9.627 1.00 0.00 N ATOM 888 CA THR A 59 1.672 -7.398 9.978 1.00 0.00 C ATOM 889 C THR A 59 2.873 -7.875 9.165 1.00 0.00 C ATOM 890 O THR A 59 3.033 -7.502 8.003 1.00 0.00 O ATOM 891 CB THR A 59 0.483 -8.335 9.746 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.428 -7.772 8.816 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.284 -8.654 11.012 1.00 0.00 C ATOM 0 H THR A 59 0.464 -5.938 9.078 1.00 0.00 H new ATOM 0 HA THR A 59 1.937 -7.416 11.035 1.00 0.00 H new ATOM 0 HB THR A 59 0.914 -9.259 9.362 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.179 -8.387 8.681 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.113 -9.322 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.380 -9.138 11.728 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.673 -7.732 11.444 1.00 0.00 H new ATOM 901 N GLU A 60 3.709 -8.709 9.783 1.00 0.00 N ATOM 902 CA GLU A 60 4.902 -9.254 9.129 1.00 0.00 C ATOM 903 C GLU A 60 4.630 -9.563 7.668 1.00 0.00 C ATOM 904 O GLU A 60 5.359 -9.133 6.779 1.00 0.00 O ATOM 905 CB GLU A 60 5.359 -10.528 9.838 1.00 0.00 C ATOM 906 CG GLU A 60 4.219 -11.465 10.213 1.00 0.00 C ATOM 907 CD GLU A 60 4.629 -12.497 11.244 1.00 0.00 C ATOM 908 OE1 GLU A 60 5.774 -12.989 11.169 1.00 0.00 O ATOM 909 OE2 GLU A 60 3.804 -12.813 12.128 1.00 0.00 O ATOM 0 H GLU A 60 3.581 -9.025 10.744 1.00 0.00 H new ATOM 0 HA GLU A 60 5.688 -8.501 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.058 -11.061 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.904 -10.254 10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.385 -10.880 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.862 -11.973 9.317 1.00 0.00 H new ATOM 916 N ALA A 61 3.566 -10.309 7.438 1.00 0.00 N ATOM 917 CA ALA A 61 3.162 -10.689 6.096 1.00 0.00 C ATOM 918 C ALA A 61 3.164 -9.484 5.168 1.00 0.00 C ATOM 919 O ALA A 61 3.836 -9.483 4.145 1.00 0.00 O ATOM 920 CB ALA A 61 1.787 -11.332 6.130 1.00 0.00 C ATOM 0 H ALA A 61 2.958 -10.668 8.174 1.00 0.00 H new ATOM 0 HA ALA A 61 3.880 -11.412 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.492 -11.614 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.816 -12.221 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.064 -10.624 6.535 1.00 0.00 H new ATOM 926 N GLU A 62 2.422 -8.447 5.537 1.00 0.00 N ATOM 927 CA GLU A 62 2.365 -7.235 4.722 1.00 0.00 C ATOM 928 C GLU A 62 3.775 -6.756 4.404 1.00 0.00 C ATOM 929 O GLU A 62 4.183 -6.722 3.245 1.00 0.00 O ATOM 930 CB GLU A 62 1.593 -6.113 5.430 1.00 0.00 C ATOM 931 CG GLU A 62 0.605 -6.597 6.477 1.00 0.00 C ATOM 932 CD GLU A 62 -0.547 -5.635 6.686 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.362 -5.473 5.753 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.636 -5.043 7.782 1.00 0.00 O ATOM 0 H GLU A 62 1.856 -8.418 6.385 1.00 0.00 H new ATOM 0 HA GLU A 62 1.839 -7.481 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.307 -5.441 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.055 -5.530 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.212 -7.568 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.127 -6.743 7.423 1.00 0.00 H new ATOM 941 N ILE A 63 4.514 -6.399 5.449 1.00 0.00 N ATOM 942 CA ILE A 63 5.891 -5.927 5.297 1.00 0.00 C ATOM 943 C ILE A 63 6.750 -6.951 4.566 1.00 0.00 C ATOM 944 O ILE A 63 7.255 -6.690 3.475 1.00 0.00 O ATOM 945 CB ILE A 63 6.545 -5.642 6.662 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.583 -4.893 7.577 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.834 -4.857 6.479 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.948 -5.789 8.611 1.00 0.00 C ATOM 0 H ILE A 63 4.184 -6.427 6.414 1.00 0.00 H new ATOM 0 HA ILE A 63 5.837 -5.006 4.717 1.00 0.00 H new ATOM 0 HB ILE A 63 6.786 -6.595 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.119 -4.088 8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.802 -4.429 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.284 -4.664 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.528 -5.434 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.616 -3.910 5.986 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.273 -5.203 9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.387 -6.580 8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.724 -6.233 9.234 1.00 0.00 H new ATOM 960 N THR A 64 6.916 -8.112 5.184 1.00 0.00 N ATOM 961 CA THR A 64 7.718 -9.189 4.618 1.00 0.00 C ATOM 962 C THR A 64 7.307 -9.493 3.185 1.00 0.00 C ATOM 963 O THR A 64 8.142 -9.513 2.282 1.00 0.00 O ATOM 964 CB THR A 64 7.561 -10.447 5.463 1.00 0.00 C ATOM 965 OG1 THR A 64 8.030 -10.232 6.783 1.00 0.00 O ATOM 966 CG2 THR A 64 8.289 -11.646 4.901 1.00 0.00 C ATOM 0 H THR A 64 6.500 -8.334 6.089 1.00 0.00 H new ATOM 0 HA THR A 64 8.759 -8.866 4.617 1.00 0.00 H new ATOM 0 HB THR A 64 6.492 -10.662 5.457 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.342 -9.767 7.303 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.133 -12.505 5.554 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.905 -11.872 3.906 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.355 -11.427 4.837 1.00 0.00 H new ATOM 974 N GLU A 65 6.014 -9.726 2.980 1.00 0.00 N ATOM 975 CA GLU A 65 5.513 -10.025 1.642 1.00 0.00 C ATOM 976 C GLU A 65 5.694 -8.832 0.734 1.00 0.00 C ATOM 977 O GLU A 65 5.636 -8.938 -0.492 1.00 0.00 O ATOM 978 CB GLU A 65 4.045 -10.441 1.675 1.00 0.00 C ATOM 979 CG GLU A 65 3.773 -11.657 2.546 1.00 0.00 C ATOM 980 CD GLU A 65 4.144 -12.958 1.863 1.00 0.00 C ATOM 981 OE1 GLU A 65 5.350 -13.277 1.805 1.00 0.00 O ATOM 982 OE2 GLU A 65 3.228 -13.660 1.386 1.00 0.00 O ATOM 0 H GLU A 65 5.303 -9.714 3.711 1.00 0.00 H new ATOM 0 HA GLU A 65 6.091 -10.862 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.448 -9.605 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.714 -10.652 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.334 -11.566 3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.716 -11.679 2.813 1.00 0.00 H new ATOM 989 N PHE A 66 5.933 -7.705 1.356 1.00 0.00 N ATOM 990 CA PHE A 66 6.154 -6.465 0.640 1.00 0.00 C ATOM 991 C PHE A 66 7.642 -6.262 0.381 1.00 0.00 C ATOM 992 O PHE A 66 8.030 -5.609 -0.586 1.00 0.00 O ATOM 993 CB PHE A 66 5.589 -5.272 1.416 1.00 0.00 C ATOM 994 CG PHE A 66 4.141 -4.985 1.127 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.269 -6.007 0.781 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.651 -3.692 1.203 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.938 -5.743 0.515 1.00 0.00 C ATOM 998 CE2 PHE A 66 2.321 -3.422 0.938 1.00 0.00 C ATOM 999 CZ PHE A 66 1.464 -4.448 0.593 1.00 0.00 C ATOM 0 H PHE A 66 5.981 -7.617 2.371 1.00 0.00 H new ATOM 0 HA PHE A 66 5.632 -6.530 -0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.706 -5.458 2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.179 -4.386 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.634 -7.021 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.316 -2.885 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.270 -6.548 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.953 -2.409 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.425 -4.238 0.385 1.00 0.00 H new ATOM 1009 N PHE A 67 8.473 -6.831 1.252 1.00 0.00 N ATOM 1010 CA PHE A 67 9.920 -6.712 1.110 1.00 0.00 C ATOM 1011 C PHE A 67 10.466 -7.788 0.177 1.00 0.00 C ATOM 1012 O PHE A 67 11.515 -7.613 -0.441 1.00 0.00 O ATOM 1013 CB PHE A 67 10.597 -6.809 2.479 1.00 0.00 C ATOM 1014 CG PHE A 67 10.572 -5.531 3.276 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.563 -4.292 2.649 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.556 -5.573 4.661 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.540 -3.125 3.389 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.533 -4.409 5.405 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.524 -3.184 4.769 1.00 0.00 C ATOM 0 H PHE A 67 8.170 -7.376 2.059 1.00 0.00 H new ATOM 0 HA PHE A 67 10.140 -5.737 0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.109 -7.594 3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.634 -7.115 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.574 -4.240 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.562 -6.528 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.535 -2.168 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.522 -4.458 6.484 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.504 -2.273 5.349 1.00 0.00 H new ATOM 1029 N GLU A 68 9.746 -8.902 0.079 1.00 0.00 N ATOM 1030 CA GLU A 68 10.159 -10.004 -0.783 1.00 0.00 C ATOM 1031 C GLU A 68 9.499 -9.900 -2.156 1.00 0.00 C ATOM 1032 O GLU A 68 10.045 -10.374 -3.153 1.00 0.00 O ATOM 1033 CB GLU A 68 9.807 -11.344 -0.135 1.00 0.00 C ATOM 1034 CG GLU A 68 10.263 -11.461 1.310 1.00 0.00 C ATOM 1035 CD GLU A 68 11.613 -12.137 1.441 1.00 0.00 C ATOM 1036 OE1 GLU A 68 11.684 -13.367 1.242 1.00 0.00 O ATOM 1037 OE2 GLU A 68 12.602 -11.433 1.741 1.00 0.00 O ATOM 0 H GLU A 68 8.875 -9.065 0.585 1.00 0.00 H new ATOM 0 HA GLU A 68 11.239 -9.944 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.727 -11.486 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.259 -12.148 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.314 -10.466 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.522 -12.025 1.877 1.00 0.00 H new ATOM 1044 N ALA A 69 8.324 -9.281 -2.200 1.00 0.00 N ATOM 1045 CA ALA A 69 7.591 -9.121 -3.453 1.00 0.00 C ATOM 1046 C ALA A 69 7.980 -7.842 -4.174 1.00 0.00 C ATOM 1047 O ALA A 69 7.633 -7.630 -5.337 1.00 0.00 O ATOM 1048 CB ALA A 69 6.099 -9.136 -3.191 1.00 0.00 C ATOM 0 H ALA A 69 7.859 -8.882 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 69 7.854 -9.959 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.563 -9.016 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.820 -10.085 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.839 -8.318 -2.519 1.00 0.00 H new ATOM 1054 N ALA A 70 8.703 -7.009 -3.469 1.00 0.00 N ATOM 1055 CA ALA A 70 9.167 -5.735 -4.006 1.00 0.00 C ATOM 1056 C ALA A 70 10.616 -5.830 -4.469 1.00 0.00 C ATOM 1057 O ALA A 70 11.037 -5.112 -5.376 1.00 0.00 O ATOM 1058 CB ALA A 70 9.011 -4.635 -2.967 1.00 0.00 C ATOM 0 H ALA A 70 8.991 -7.186 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 70 8.553 -5.488 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.361 -3.690 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.961 -4.542 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.599 -4.883 -2.083 1.00 0.00 H new ATOM 1064 N ASP A 71 11.375 -6.724 -3.842 1.00 0.00 N ATOM 1065 CA ASP A 71 12.777 -6.917 -4.191 1.00 0.00 C ATOM 1066 C ASP A 71 13.039 -8.369 -4.590 1.00 0.00 C ATOM 1067 O ASP A 71 12.961 -9.272 -3.755 1.00 0.00 O ATOM 1068 CB ASP A 71 13.672 -6.528 -3.014 1.00 0.00 C ATOM 1069 CG ASP A 71 15.141 -6.501 -3.388 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.455 -6.118 -4.534 1.00 0.00 O ATOM 1071 OD2 ASP A 71 15.978 -6.865 -2.535 1.00 0.00 O ATOM 0 H ASP A 71 11.042 -7.326 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 71 13.010 -6.277 -5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.376 -5.546 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.521 -7.234 -2.197 1.00 0.00 H new ATOM 1076 N PRO A 72 13.352 -8.622 -5.876 1.00 0.00 N ATOM 1077 CA PRO A 72 13.621 -9.977 -6.370 1.00 0.00 C ATOM 1078 C PRO A 72 14.887 -10.578 -5.768 1.00 0.00 C ATOM 1079 O PRO A 72 14.884 -11.721 -5.311 1.00 0.00 O ATOM 1080 CB PRO A 72 13.786 -9.786 -7.881 1.00 0.00 C ATOM 1081 CG PRO A 72 14.168 -8.356 -8.046 1.00 0.00 C ATOM 1082 CD PRO A 72 13.467 -7.612 -6.944 1.00 0.00 C ATOM 0 HA PRO A 72 12.823 -10.669 -6.100 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.553 -10.449 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.861 -10.012 -8.411 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.248 -8.230 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.866 -7.981 -9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.039 -6.744 -6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.490 -7.249 -7.262 1.00 0.00 H new ATOM 1090 N ASN A 73 15.966 -9.804 -5.773 1.00 0.00 N ATOM 1091 CA ASN A 73 17.236 -10.264 -5.227 1.00 0.00 C ATOM 1092 C ASN A 73 17.155 -10.418 -3.712 1.00 0.00 C ATOM 1093 O ASN A 73 17.816 -11.277 -3.129 1.00 0.00 O ATOM 1094 CB ASN A 73 18.357 -9.289 -5.593 1.00 0.00 C ATOM 1095 CG ASN A 73 18.773 -9.404 -7.045 1.00 0.00 C ATOM 1096 OD1 ASN A 73 19.271 -10.443 -7.480 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.573 -8.335 -7.807 1.00 0.00 N ATOM 0 H ASN A 73 15.986 -8.856 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 73 17.456 -11.239 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.028 -8.270 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.220 -9.477 -4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.835 -8.355 -8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 73 18.157 -7.494 -7.407 1.00 0.00 H new ATOM 1104 N ASN A 74 16.342 -9.575 -3.081 1.00 0.00 N ATOM 1105 CA ASN A 74 16.172 -9.607 -1.632 1.00 0.00 C ATOM 1106 C ASN A 74 17.419 -9.078 -0.935 1.00 0.00 C ATOM 1107 O ASN A 74 17.754 -9.502 0.170 1.00 0.00 O ATOM 1108 CB ASN A 74 15.869 -11.031 -1.153 1.00 0.00 C ATOM 1109 CG ASN A 74 14.824 -11.721 -2.008 1.00 0.00 C ATOM 1110 OD1 ASN A 74 13.634 -11.412 -1.923 1.00 0.00 O ATOM 1111 ND2 ASN A 74 15.263 -12.659 -2.838 1.00 0.00 N ATOM 0 H ASN A 74 15.789 -8.859 -3.553 1.00 0.00 H new ATOM 0 HA ASN A 74 15.328 -8.966 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.788 -11.618 -1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.524 -10.998 -0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.606 -13.157 -3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.258 -12.882 -2.875 1.00 0.00 H new ATOM 1118 N THR A 75 18.100 -8.146 -1.593 1.00 0.00 N ATOM 1119 CA THR A 75 19.309 -7.555 -1.042 1.00 0.00 C ATOM 1120 C THR A 75 18.992 -6.708 0.187 1.00 0.00 C ATOM 1121 O THR A 75 19.839 -6.519 1.058 1.00 0.00 O ATOM 1122 CB THR A 75 20.012 -6.702 -2.099 1.00 0.00 C ATOM 1123 OG1 THR A 75 19.223 -5.575 -2.439 1.00 0.00 O ATOM 1124 CG2 THR A 75 20.309 -7.455 -3.377 1.00 0.00 C ATOM 0 H THR A 75 17.833 -7.785 -2.509 1.00 0.00 H new ATOM 0 HA THR A 75 19.973 -8.364 -0.739 1.00 0.00 H new ATOM 0 HB THR A 75 20.957 -6.402 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.690 -5.041 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.808 -6.791 -4.083 1.00 0.00 H new ATOM 0 HG22 THR A 75 20.957 -8.304 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 75 19.377 -7.814 -3.813 1.00 0.00 H new ATOM 1132 N GLY A 76 17.765 -6.198 0.246 1.00 0.00 N ATOM 1133 CA GLY A 76 17.356 -5.377 1.370 1.00 0.00 C ATOM 1134 C GLY A 76 17.086 -3.938 0.971 1.00 0.00 C ATOM 1135 O GLY A 76 17.085 -3.044 1.815 1.00 0.00 O ATOM 0 H GLY A 76 17.047 -6.339 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.457 -5.801 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.133 -5.399 2.134 1.00 0.00 H new ATOM 1139 N PHE A 77 16.857 -3.714 -0.319 1.00 0.00 N ATOM 1140 CA PHE A 77 16.584 -2.375 -0.829 1.00 0.00 C ATOM 1141 C PHE A 77 15.507 -2.416 -1.908 1.00 0.00 C ATOM 1142 O PHE A 77 15.582 -3.218 -2.840 1.00 0.00 O ATOM 1143 CB PHE A 77 17.862 -1.750 -1.396 1.00 0.00 C ATOM 1144 CG PHE A 77 19.064 -1.914 -0.509 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.646 -3.159 -0.332 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.612 -0.824 0.146 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.753 -3.313 0.481 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.719 -0.970 0.959 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.290 -2.217 1.128 1.00 0.00 C ATOM 0 H PHE A 77 16.855 -4.444 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 77 16.225 -1.764 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.075 -2.198 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.691 -0.687 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 77 19.230 -4.019 -0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.168 0.152 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 77 21.198 -4.289 0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.138 -0.111 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.154 -2.334 1.765 1.00 0.00 H new ATOM 1159 N ILE A 78 14.509 -1.548 -1.781 1.00 0.00 N ATOM 1160 CA ILE A 78 13.424 -1.491 -2.753 1.00 0.00 C ATOM 1161 C ILE A 78 13.486 -0.220 -3.581 1.00 0.00 C ATOM 1162 O ILE A 78 13.869 0.839 -3.086 1.00 0.00 O ATOM 1163 CB ILE A 78 12.033 -1.514 -2.088 1.00 0.00 C ATOM 1164 CG1 ILE A 78 11.973 -2.497 -0.924 1.00 0.00 C ATOM 1165 CG2 ILE A 78 10.965 -1.850 -3.116 1.00 0.00 C ATOM 1166 CD1 ILE A 78 11.177 -1.972 0.249 1.00 0.00 C ATOM 0 H ILE A 78 14.429 -0.877 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 78 13.556 -2.375 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 78 11.846 -0.519 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.531 -3.432 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.987 -2.726 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.987 -1.863 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.970 -1.098 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.170 -2.830 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.170 -2.716 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.632 -1.052 0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.154 -1.770 -0.067 1.00 0.00 H new ATOM 1178 N ASP A 79 13.053 -0.320 -4.829 1.00 0.00 N ATOM 1179 CA ASP A 79 13.004 0.839 -5.698 1.00 0.00 C ATOM 1180 C ASP A 79 11.789 1.667 -5.311 1.00 0.00 C ATOM 1181 O ASP A 79 10.657 1.287 -5.609 1.00 0.00 O ATOM 1182 CB ASP A 79 12.917 0.416 -7.167 1.00 0.00 C ATOM 1183 CG ASP A 79 14.160 -0.315 -7.632 1.00 0.00 C ATOM 1184 OD1 ASP A 79 15.276 0.165 -7.340 1.00 0.00 O ATOM 1185 OD2 ASP A 79 14.019 -1.368 -8.289 1.00 0.00 O ATOM 0 H ASP A 79 12.733 -1.188 -5.258 1.00 0.00 H new ATOM 0 HA ASP A 79 13.914 1.427 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.047 -0.226 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.764 1.299 -7.788 1.00 0.00 H new ATOM 1190 N TYR A 80 12.029 2.772 -4.606 1.00 0.00 N ATOM 1191 CA TYR A 80 10.957 3.649 -4.124 1.00 0.00 C ATOM 1192 C TYR A 80 9.722 3.610 -5.022 1.00 0.00 C ATOM 1193 O TYR A 80 8.592 3.608 -4.533 1.00 0.00 O ATOM 1194 CB TYR A 80 11.464 5.086 -4.011 1.00 0.00 C ATOM 1195 CG TYR A 80 10.493 6.019 -3.321 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.531 6.196 -1.944 1.00 0.00 C ATOM 1197 CD2 TYR A 80 9.540 6.722 -4.047 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.647 7.046 -1.309 1.00 0.00 C ATOM 1199 CE2 TYR A 80 8.653 7.576 -3.420 1.00 0.00 C ATOM 1200 CZ TYR A 80 8.710 7.734 -2.051 1.00 0.00 C ATOM 1201 OH TYR A 80 7.827 8.582 -1.423 1.00 0.00 O ATOM 0 H TYR A 80 12.966 3.085 -4.353 1.00 0.00 H new ATOM 0 HA TYR A 80 10.661 3.280 -3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.407 5.088 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.674 5.468 -5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.264 5.660 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.492 6.599 -5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.689 7.171 -0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.919 8.117 -3.999 1.00 0.00 H new ATOM 0 HH TYR A 80 7.234 8.989 -2.089 1.00 0.00 H new ATOM 1211 N LYS A 81 9.938 3.578 -6.331 1.00 0.00 N ATOM 1212 CA LYS A 81 8.831 3.535 -7.278 1.00 0.00 C ATOM 1213 C LYS A 81 8.016 2.258 -7.105 1.00 0.00 C ATOM 1214 O LYS A 81 6.804 2.309 -6.906 1.00 0.00 O ATOM 1215 CB LYS A 81 9.349 3.641 -8.714 1.00 0.00 C ATOM 1216 CG LYS A 81 9.765 5.048 -9.108 1.00 0.00 C ATOM 1217 CD LYS A 81 9.793 5.219 -10.619 1.00 0.00 C ATOM 1218 CE LYS A 81 9.143 6.526 -11.045 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.865 7.160 -12.183 1.00 0.00 N ATOM 0 H LYS A 81 10.864 3.581 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 81 8.181 4.387 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.201 2.972 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.573 3.296 -9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.073 5.769 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.751 5.265 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.825 5.193 -10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.275 4.384 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.107 6.340 -11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.122 7.214 -10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.391 8.048 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.846 7.361 -11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.863 6.514 -12.998 1.00 0.00 H new ATOM 1233 N ALA A 82 8.690 1.114 -7.170 1.00 0.00 N ATOM 1234 CA ALA A 82 8.022 -0.174 -7.006 1.00 0.00 C ATOM 1235 C ALA A 82 7.187 -0.191 -5.729 1.00 0.00 C ATOM 1236 O ALA A 82 6.203 -0.922 -5.623 1.00 0.00 O ATOM 1237 CB ALA A 82 9.043 -1.303 -6.977 1.00 0.00 C ATOM 0 H ALA A 82 9.695 1.052 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 82 7.357 -0.322 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.528 -2.256 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.603 -1.311 -7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.729 -1.151 -6.144 1.00 0.00 H new ATOM 1243 N PHE A 83 7.599 0.620 -4.760 1.00 0.00 N ATOM 1244 CA PHE A 83 6.906 0.707 -3.485 1.00 0.00 C ATOM 1245 C PHE A 83 5.872 1.827 -3.493 1.00 0.00 C ATOM 1246 O PHE A 83 4.853 1.751 -2.805 1.00 0.00 O ATOM 1247 CB PHE A 83 7.922 0.927 -2.361 1.00 0.00 C ATOM 1248 CG PHE A 83 7.885 -0.144 -1.311 1.00 0.00 C ATOM 1249 CD1 PHE A 83 7.777 -1.476 -1.673 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.957 0.178 0.035 1.00 0.00 C ATOM 1251 CE1 PHE A 83 7.745 -2.468 -0.717 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.925 -0.813 0.999 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.818 -2.138 0.623 1.00 0.00 C ATOM 0 H PHE A 83 8.414 1.228 -4.837 1.00 0.00 H new ATOM 0 HA PHE A 83 6.377 -0.231 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.923 0.972 -2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.732 1.893 -1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.717 -1.741 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.039 1.213 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.663 -3.503 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.984 -0.551 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.791 -2.914 1.374 1.00 0.00 H new ATOM 1263 N ALA A 84 6.136 2.869 -4.276 1.00 0.00 N ATOM 1264 CA ALA A 84 5.226 4.003 -4.374 1.00 0.00 C ATOM 1265 C ALA A 84 4.092 3.719 -5.356 1.00 0.00 C ATOM 1266 O ALA A 84 3.002 4.279 -5.238 1.00 0.00 O ATOM 1267 CB ALA A 84 5.984 5.254 -4.790 1.00 0.00 C ATOM 0 H ALA A 84 6.974 2.950 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 84 4.786 4.167 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.291 6.093 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.752 5.477 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.453 5.090 -5.760 1.00 0.00 H new ATOM 1273 N ALA A 85 4.356 2.848 -6.325 1.00 0.00 N ATOM 1274 CA ALA A 85 3.357 2.493 -7.327 1.00 0.00 C ATOM 1275 C ALA A 85 2.289 1.578 -6.754 1.00 0.00 C ATOM 1276 O ALA A 85 1.253 1.335 -7.372 1.00 0.00 O ATOM 1277 CB ALA A 85 4.020 1.845 -8.527 1.00 0.00 C ATOM 0 H ALA A 85 5.253 2.375 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 85 2.867 3.413 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.262 1.586 -9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.734 2.541 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.542 0.942 -8.211 1.00 0.00 H new ATOM 1283 N MET A 86 2.561 1.082 -5.572 1.00 0.00 N ATOM 1284 CA MET A 86 1.647 0.188 -4.873 1.00 0.00 C ATOM 1285 C MET A 86 0.464 0.963 -4.305 1.00 0.00 C ATOM 1286 O MET A 86 -0.670 0.481 -4.309 1.00 0.00 O ATOM 1287 CB MET A 86 2.377 -0.549 -3.749 1.00 0.00 C ATOM 1288 CG MET A 86 1.681 -1.825 -3.306 1.00 0.00 C ATOM 1289 SD MET A 86 1.861 -3.166 -4.500 1.00 0.00 S ATOM 1290 CE MET A 86 3.644 -3.231 -4.668 1.00 0.00 C ATOM 0 H MET A 86 3.420 1.282 -5.060 1.00 0.00 H new ATOM 0 HA MET A 86 1.272 -0.543 -5.590 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.386 -0.792 -4.081 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.475 0.118 -2.892 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.088 -2.142 -2.346 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.621 -1.621 -3.151 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.948 -4.243 -4.936 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.961 -2.539 -5.448 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.109 -2.951 -3.723 1.00 0.00 H new ATOM 1300 N LEU A 87 0.736 2.169 -3.818 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.307 3.018 -3.247 1.00 0.00 C ATOM 1302 C LEU A 87 -0.951 3.890 -4.304 1.00 0.00 C ATOM 1303 O LEU A 87 -1.931 4.595 -4.057 1.00 0.00 O ATOM 1304 CB LEU A 87 0.277 3.893 -2.150 1.00 0.00 C ATOM 1305 CG LEU A 87 0.759 3.143 -0.905 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.148 3.615 -0.502 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.223 3.328 0.243 1.00 0.00 C ATOM 0 H LEU A 87 1.669 2.582 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.074 2.367 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.115 4.455 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.477 4.620 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 87 0.813 2.081 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.474 3.071 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.846 3.430 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.120 4.682 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.136 2.788 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.310 4.388 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.199 2.940 -0.047 1.00 0.00 H new ATOM 1319 N TYR A 88 -0.378 3.823 -5.471 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.846 4.585 -6.622 1.00 0.00 C ATOM 1321 C TYR A 88 -1.113 3.671 -7.814 1.00 0.00 C ATOM 1322 O TYR A 88 -1.113 4.116 -8.963 1.00 0.00 O ATOM 1323 CB TYR A 88 0.178 5.656 -7.003 1.00 0.00 C ATOM 1324 CG TYR A 88 0.380 6.709 -5.937 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.892 6.373 -4.691 1.00 0.00 C ATOM 1326 CD2 TYR A 88 0.059 8.039 -6.178 1.00 0.00 C ATOM 1327 CE1 TYR A 88 1.078 7.332 -3.713 1.00 0.00 C ATOM 1328 CE2 TYR A 88 0.241 9.003 -5.206 1.00 0.00 C ATOM 1329 CZ TYR A 88 0.751 8.646 -3.976 1.00 0.00 C ATOM 1330 OH TYR A 88 0.934 9.604 -3.005 1.00 0.00 O ATOM 0 H TYR A 88 0.434 3.237 -5.665 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.782 5.070 -6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.133 5.175 -7.212 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.143 6.141 -7.925 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.149 5.345 -4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.339 8.324 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.477 7.054 -2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.015 10.032 -5.409 1.00 0.00 H new ATOM 0 HH TYR A 88 0.656 10.478 -3.351 1.00 0.00 H new ATOM 1340 N SER A 89 -1.341 2.392 -7.534 1.00 0.00 N ATOM 1341 CA SER A 89 -1.609 1.415 -8.585 1.00 0.00 C ATOM 1342 C SER A 89 -2.978 1.654 -9.216 1.00 0.00 C ATOM 1343 O SER A 89 -3.887 0.836 -9.081 1.00 0.00 O ATOM 1344 CB SER A 89 -1.531 -0.005 -8.020 1.00 0.00 C ATOM 1345 OG SER A 89 -0.743 -0.044 -6.843 1.00 0.00 O ATOM 0 H SER A 89 -1.346 2.007 -6.589 1.00 0.00 H new ATOM 0 HA SER A 89 -0.850 1.532 -9.359 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.535 -0.368 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.106 -0.674 -8.768 1.00 0.00 H new ATOM 0 HG SER A 89 0.158 0.286 -7.042 1.00 0.00 H new