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+ -140:sc= -0.444 (180deg=-2.36!) USER MOD Single : A 26 THR OG1 : rot -73:sc= 0.158 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.739 X(o=-0.74,f=-1.1) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 58 MET CE :methyl -165:sc= -4.43! (180deg=-5.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.804 USER MOD Single : A 64 THR OG1 : rot 83:sc= 0.382 USER MOD Single : A 73 ASN : amide:sc= -0.479 K(o=-0.48,f=-3!) USER MOD Single : A 74 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.44) USER MOD Single : A 75 THR OG1 : rot -54:sc= 1.09 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 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.672 3.919 1.808 1.00 0.00 N ATOM 351 CA LYS A 25 -4.380 4.520 1.501 1.00 0.00 C ATOM 352 C LYS A 25 -4.053 5.632 2.494 1.00 0.00 C ATOM 353 O LYS A 25 -2.885 5.914 2.762 1.00 0.00 O ATOM 354 CB LYS A 25 -4.379 5.074 0.076 1.00 0.00 C ATOM 355 CG LYS A 25 -3.059 5.716 -0.327 1.00 0.00 C ATOM 356 CD LYS A 25 -3.006 7.180 0.078 1.00 0.00 C ATOM 357 CE LYS A 25 -2.290 8.021 -0.966 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.024 7.383 -1.421 1.00 0.00 N ATOM 0 HA LYS A 25 -3.615 3.747 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.608 4.266 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.176 5.811 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.234 5.178 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.926 5.631 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.019 7.557 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.495 7.275 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.947 8.174 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.072 9.005 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.290 8.111 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.714 6.685 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.183 6.907 -2.332 1.00 0.00 H new ATOM 372 N THR A 26 -5.092 6.262 3.034 1.00 0.00 N ATOM 373 CA THR A 26 -4.914 7.344 3.994 1.00 0.00 C ATOM 374 C THR A 26 -4.225 6.841 5.254 1.00 0.00 C ATOM 375 O THR A 26 -3.495 7.583 5.910 1.00 0.00 O ATOM 376 CB THR A 26 -6.251 8.003 4.334 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.328 7.292 3.750 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.337 9.439 3.856 1.00 0.00 C ATOM 0 H THR A 26 -6.065 6.041 2.823 1.00 0.00 H new ATOM 0 HA THR A 26 -4.275 8.098 3.534 1.00 0.00 H new ATOM 0 HB THR A 26 -6.317 7.987 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.341 7.454 2.784 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.308 9.855 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.548 10.027 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.217 9.470 2.773 1.00 0.00 H new ATOM 386 N GLN A 27 -4.433 5.571 5.579 1.00 0.00 N ATOM 387 CA GLN A 27 -3.795 4.983 6.748 1.00 0.00 C ATOM 388 C GLN A 27 -2.278 5.051 6.595 1.00 0.00 C ATOM 389 O GLN A 27 -1.537 5.048 7.579 1.00 0.00 O ATOM 390 CB GLN A 27 -4.241 3.530 6.928 1.00 0.00 C ATOM 391 CG GLN A 27 -5.559 3.385 7.670 1.00 0.00 C ATOM 392 CD GLN A 27 -5.864 1.948 8.044 1.00 0.00 C ATOM 393 OE1 GLN A 27 -5.007 1.236 8.568 1.00 0.00 O ATOM 394 NE2 GLN A 27 -7.090 1.513 7.776 1.00 0.00 N ATOM 0 H GLN A 27 -5.033 4.934 5.055 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.092 5.547 7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.333 3.063 5.947 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.467 2.986 7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.531 3.993 8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.366 3.774 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.769 2.138 7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.353 0.554 8.005 1.00 0.00 H new ATOM 403 N LEU A 28 -1.830 5.122 5.343 1.00 0.00 N ATOM 404 CA LEU A 28 -0.409 5.200 5.025 1.00 0.00 C ATOM 405 C LEU A 28 0.078 6.641 5.003 1.00 0.00 C ATOM 406 O LEU A 28 1.277 6.915 4.953 1.00 0.00 O ATOM 407 CB LEU A 28 -0.151 4.551 3.673 1.00 0.00 C ATOM 408 CG LEU A 28 1.320 4.269 3.354 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.467 2.928 2.647 1.00 0.00 C ATOM 410 CD2 LEU A 28 1.906 5.387 2.505 1.00 0.00 C ATOM 0 H LEU A 28 -2.440 5.127 4.525 1.00 0.00 H new ATOM 0 HA LEU A 28 0.141 4.670 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.702 3.612 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.557 5.197 2.895 1.00 0.00 H new ATOM 0 HG LEU A 28 1.872 4.224 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.519 2.745 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.087 2.134 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.901 2.944 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.952 5.169 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.350 5.464 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.836 6.330 3.047 1.00 0.00 H new ATOM 422 N ILE A 29 -0.873 7.544 5.035 1.00 0.00 N ATOM 423 CA ILE A 29 -0.598 8.980 5.014 1.00 0.00 C ATOM 424 C ILE A 29 0.154 9.430 6.246 1.00 0.00 C ATOM 425 O ILE A 29 0.715 10.525 6.303 1.00 0.00 O ATOM 426 CB ILE A 29 -1.896 9.787 4.894 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.584 9.482 3.568 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.640 11.282 5.049 1.00 0.00 C ATOM 429 CD1 ILE A 29 -1.986 10.192 2.382 1.00 0.00 C ATOM 0 H ILE A 29 -1.866 7.313 5.077 1.00 0.00 H new ATOM 0 HA ILE A 29 0.027 9.164 4.140 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.559 9.488 5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.545 8.407 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.636 9.754 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.582 11.824 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.202 11.477 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.953 11.616 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.534 9.919 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.049 11.270 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.941 9.902 2.273 1.00 0.00 H new ATOM 441 N GLU A 30 0.156 8.565 7.209 1.00 0.00 N ATOM 442 CA GLU A 30 0.833 8.803 8.479 1.00 0.00 C ATOM 443 C GLU A 30 2.337 8.619 8.353 1.00 0.00 C ATOM 444 O GLU A 30 3.081 8.748 9.325 1.00 0.00 O ATOM 445 CB GLU A 30 0.271 7.897 9.576 1.00 0.00 C ATOM 446 CG GLU A 30 -0.947 8.475 10.277 1.00 0.00 C ATOM 447 CD GLU A 30 -1.664 7.453 11.137 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.027 6.453 11.525 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.864 7.655 11.422 1.00 0.00 O ATOM 0 H GLU A 30 -0.311 7.660 7.153 1.00 0.00 H new ATOM 0 HA GLU A 30 0.646 9.840 8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.006 6.934 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.050 7.709 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.639 9.316 10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.639 8.867 9.531 1.00 0.00 H new ATOM 456 N ALA A 31 2.769 8.322 7.145 1.00 0.00 N ATOM 457 CA ALA A 31 4.182 8.119 6.854 1.00 0.00 C ATOM 458 C ALA A 31 4.833 9.410 6.370 1.00 0.00 C ATOM 459 O ALA A 31 6.032 9.620 6.556 1.00 0.00 O ATOM 460 CB ALA A 31 4.354 7.019 5.819 1.00 0.00 C ATOM 0 H ALA A 31 2.157 8.214 6.336 1.00 0.00 H new ATOM 0 HA ALA A 31 4.678 7.816 7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.415 6.878 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.933 6.090 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.838 7.300 4.901 1.00 0.00 H new ATOM 466 N PHE A 32 4.036 10.271 5.745 1.00 0.00 N ATOM 467 CA PHE A 32 4.533 11.542 5.231 1.00 0.00 C ATOM 468 C PHE A 32 5.155 12.385 6.342 1.00 0.00 C ATOM 469 O PHE A 32 5.950 13.287 6.076 1.00 0.00 O ATOM 470 CB PHE A 32 3.398 12.322 4.561 1.00 0.00 C ATOM 471 CG PHE A 32 3.263 12.039 3.092 1.00 0.00 C ATOM 472 CD1 PHE A 32 4.098 12.656 2.175 1.00 0.00 C ATOM 473 CD2 PHE A 32 2.299 11.158 2.630 1.00 0.00 C ATOM 474 CE1 PHE A 32 3.975 12.399 0.823 1.00 0.00 C ATOM 475 CE2 PHE A 32 2.171 10.896 1.279 1.00 0.00 C ATOM 476 CZ PHE A 32 3.011 11.518 0.374 1.00 0.00 C ATOM 0 H PHE A 32 3.042 10.111 5.582 1.00 0.00 H new ATOM 0 HA PHE A 32 5.306 11.324 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.458 12.080 5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.568 13.389 4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.854 13.346 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.640 10.670 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.632 12.887 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.416 10.207 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.913 11.315 -0.682 1.00 0.00 H new ATOM 486 N TYR A 33 4.791 12.090 7.587 1.00 0.00 N ATOM 487 CA TYR A 33 5.317 12.826 8.731 1.00 0.00 C ATOM 488 C TYR A 33 6.541 12.127 9.322 1.00 0.00 C ATOM 489 O TYR A 33 6.863 12.313 10.495 1.00 0.00 O ATOM 490 CB TYR A 33 4.237 12.983 9.803 1.00 0.00 C ATOM 491 CG TYR A 33 2.983 13.663 9.304 1.00 0.00 C ATOM 492 CD1 TYR A 33 2.092 12.996 8.470 1.00 0.00 C ATOM 493 CD2 TYR A 33 2.689 14.971 9.667 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.945 13.615 8.013 1.00 0.00 C ATOM 495 CE2 TYR A 33 1.542 15.596 9.214 1.00 0.00 C ATOM 496 CZ TYR A 33 0.675 14.915 8.387 1.00 0.00 C ATOM 497 OH TYR A 33 -0.467 15.534 7.934 1.00 0.00 O ATOM 0 H TYR A 33 4.135 11.347 7.828 1.00 0.00 H new ATOM 0 HA TYR A 33 5.622 13.813 8.383 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.976 11.998 10.191 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.644 13.556 10.636 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.300 11.978 8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.367 15.508 10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.263 13.084 7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.326 16.613 9.507 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.508 16.446 8.290 1.00 0.00 H new ATOM 507 N ASN A 34 7.218 11.326 8.506 1.00 0.00 N ATOM 508 CA ASN A 34 8.404 10.604 8.952 1.00 0.00 C ATOM 509 C ASN A 34 9.035 9.824 7.803 1.00 0.00 C ATOM 510 O ASN A 34 9.582 8.740 8.004 1.00 0.00 O ATOM 511 CB ASN A 34 8.047 9.652 10.096 1.00 0.00 C ATOM 512 CG ASN A 34 9.271 9.014 10.720 1.00 0.00 C ATOM 513 OD1 ASN A 34 9.376 7.789 10.800 1.00 0.00 O ATOM 514 ND2 ASN A 34 10.207 9.842 11.168 1.00 0.00 N ATOM 0 H ASN A 34 6.965 11.160 7.532 1.00 0.00 H new ATOM 0 HA ASN A 34 9.129 11.335 9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.496 10.199 10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.385 8.871 9.722 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.054 9.470 11.598 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.080 10.850 11.082 1.00 0.00 H new ATOM 612 N PHE A 42 14.979 6.814 -2.588 1.00 0.00 N ATOM 613 CA PHE A 42 15.245 5.385 -2.476 1.00 0.00 C ATOM 614 C PHE A 42 15.371 4.968 -1.015 1.00 0.00 C ATOM 615 O PHE A 42 16.190 5.510 -0.272 1.00 0.00 O ATOM 616 CB PHE A 42 16.524 5.023 -3.234 1.00 0.00 C ATOM 617 CG PHE A 42 16.358 5.025 -4.726 1.00 0.00 C ATOM 618 CD1 PHE A 42 15.734 3.968 -5.368 1.00 0.00 C ATOM 619 CD2 PHE A 42 16.827 6.084 -5.488 1.00 0.00 C ATOM 620 CE1 PHE A 42 15.578 3.967 -6.742 1.00 0.00 C ATOM 621 CE2 PHE A 42 16.675 6.089 -6.861 1.00 0.00 C ATOM 622 CZ PHE A 42 16.050 5.028 -7.489 1.00 0.00 C ATOM 0 HA PHE A 42 14.405 4.848 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.309 5.729 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.859 4.036 -2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.365 3.135 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 42 17.317 6.915 -5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 42 15.088 3.138 -7.230 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.044 6.921 -7.443 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.931 5.029 -8.562 1.00 0.00 H new ATOM 632 N VAL A 43 14.555 4.001 -0.609 1.00 0.00 N ATOM 633 CA VAL A 43 14.574 3.508 0.764 1.00 0.00 C ATOM 634 C VAL A 43 14.837 2.007 0.803 1.00 0.00 C ATOM 635 O VAL A 43 14.126 1.225 0.171 1.00 0.00 O ATOM 636 CB VAL A 43 13.247 3.809 1.486 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.085 3.125 0.780 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.320 3.382 2.946 1.00 0.00 C ATOM 0 H VAL A 43 13.872 3.543 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 43 15.382 4.028 1.278 1.00 0.00 H new ATOM 0 HB VAL A 43 13.077 4.885 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.157 3.350 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.018 3.487 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.247 2.047 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.373 3.603 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.517 2.311 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.123 3.925 3.444 1.00 0.00 H new ATOM 648 N SER A 44 15.860 1.609 1.550 1.00 0.00 N ATOM 649 CA SER A 44 16.214 0.201 1.673 1.00 0.00 C ATOM 650 C SER A 44 15.170 -0.552 2.488 1.00 0.00 C ATOM 651 O SER A 44 14.306 0.056 3.123 1.00 0.00 O ATOM 652 CB SER A 44 17.591 0.053 2.322 1.00 0.00 C ATOM 653 OG SER A 44 17.644 0.730 3.566 1.00 0.00 O ATOM 0 H SER A 44 16.459 2.242 2.080 1.00 0.00 H new ATOM 0 HA SER A 44 16.246 -0.229 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.815 -1.003 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.356 0.451 1.655 1.00 0.00 H new ATOM 0 HG SER A 44 18.534 0.619 3.961 1.00 0.00 H new ATOM 659 N VAL A 45 15.255 -1.876 2.469 1.00 0.00 N ATOM 660 CA VAL A 45 14.321 -2.715 3.207 1.00 0.00 C ATOM 661 C VAL A 45 14.601 -2.651 4.704 1.00 0.00 C ATOM 662 O VAL A 45 13.696 -2.809 5.523 1.00 0.00 O ATOM 663 CB VAL A 45 14.400 -4.182 2.741 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.347 -5.027 3.435 1.00 0.00 C ATOM 665 CG2 VAL A 45 14.255 -4.275 1.230 1.00 0.00 C ATOM 0 H VAL A 45 15.964 -2.393 1.949 1.00 0.00 H new ATOM 0 HA VAL A 45 13.319 -2.333 3.009 1.00 0.00 H new ATOM 0 HB VAL A 45 15.381 -4.572 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.423 -6.058 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.505 -4.993 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.356 -4.638 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.314 -5.319 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.292 -3.862 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.056 -3.710 0.752 1.00 0.00 H new ATOM 675 N GLU A 46 15.861 -2.415 5.054 1.00 0.00 N ATOM 676 CA GLU A 46 16.266 -2.327 6.453 1.00 0.00 C ATOM 677 C GLU A 46 15.814 -1.005 7.063 1.00 0.00 C ATOM 678 O GLU A 46 15.154 -0.983 8.102 1.00 0.00 O ATOM 679 CB GLU A 46 17.784 -2.470 6.575 1.00 0.00 C ATOM 680 CG GLU A 46 18.359 -3.591 5.724 1.00 0.00 C ATOM 681 CD GLU A 46 19.853 -3.761 5.915 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.260 -4.306 6.963 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.616 -3.349 5.018 1.00 0.00 O ATOM 0 H GLU A 46 16.621 -2.281 4.387 1.00 0.00 H new ATOM 0 HA GLU A 46 15.789 -3.141 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.254 -1.529 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.041 -2.649 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.856 -4.525 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.152 -3.387 4.673 1.00 0.00 H new ATOM 690 N GLU A 47 16.169 0.096 6.408 1.00 0.00 N ATOM 691 CA GLU A 47 15.795 1.423 6.885 1.00 0.00 C ATOM 692 C GLU A 47 14.278 1.546 6.994 1.00 0.00 C ATOM 693 O GLU A 47 13.761 2.242 7.868 1.00 0.00 O ATOM 694 CB GLU A 47 16.337 2.500 5.942 1.00 0.00 C ATOM 695 CG GLU A 47 16.500 3.860 6.602 1.00 0.00 C ATOM 696 CD GLU A 47 17.755 4.580 6.148 1.00 0.00 C ATOM 697 OE1 GLU A 47 17.864 4.880 4.941 1.00 0.00 O ATOM 698 OE2 GLU A 47 18.630 4.842 7.001 1.00 0.00 O ATOM 0 H GLU A 47 16.715 0.096 5.546 1.00 0.00 H new ATOM 0 HA GLU A 47 16.230 1.565 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.302 2.177 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.664 2.597 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.630 4.476 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.529 3.734 7.684 1.00 0.00 H new ATOM 705 N PHE A 48 13.575 0.859 6.102 1.00 0.00 N ATOM 706 CA PHE A 48 12.117 0.878 6.091 1.00 0.00 C ATOM 707 C PHE A 48 11.560 0.363 7.413 1.00 0.00 C ATOM 708 O PHE A 48 10.538 0.849 7.900 1.00 0.00 O ATOM 709 CB PHE A 48 11.593 0.027 4.933 1.00 0.00 C ATOM 710 CG PHE A 48 10.557 0.716 4.092 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.580 1.506 4.677 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.563 0.573 2.715 1.00 0.00 C ATOM 713 CE1 PHE A 48 8.626 2.139 3.902 1.00 0.00 C ATOM 714 CE2 PHE A 48 9.613 1.204 1.934 1.00 0.00 C ATOM 715 CZ PHE A 48 8.643 1.988 2.529 1.00 0.00 C ATOM 0 H PHE A 48 13.993 0.279 5.374 1.00 0.00 H new ATOM 0 HA PHE A 48 11.786 1.908 5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.431 -0.260 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.168 -0.893 5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.564 1.628 5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.319 -0.039 2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.869 2.751 4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.629 1.085 0.861 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.899 2.482 1.921 1.00 0.00 H new ATOM 725 N ARG A 49 12.239 -0.624 7.991 1.00 0.00 N ATOM 726 CA ARG A 49 11.813 -1.207 9.258 1.00 0.00 C ATOM 727 C ARG A 49 11.727 -0.142 10.346 1.00 0.00 C ATOM 728 O ARG A 49 10.710 -0.016 11.028 1.00 0.00 O ATOM 729 CB ARG A 49 12.782 -2.313 9.685 1.00 0.00 C ATOM 730 CG ARG A 49 12.087 -3.571 10.183 1.00 0.00 C ATOM 731 CD ARG A 49 12.160 -4.692 9.158 1.00 0.00 C ATOM 732 NE ARG A 49 11.660 -5.957 9.693 1.00 0.00 N ATOM 733 CZ ARG A 49 10.375 -6.203 9.934 1.00 0.00 C ATOM 734 NH1 ARG A 49 9.455 -5.279 9.686 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.007 -7.380 10.422 1.00 0.00 N ATOM 0 H ARG A 49 13.087 -1.036 7.601 1.00 0.00 H new ATOM 0 HA ARG A 49 10.821 -1.636 9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.421 -2.571 8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.432 -1.931 10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.549 -3.898 11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.044 -3.348 10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.580 -4.416 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.193 -4.819 8.833 1.00 0.00 H new ATOM 0 HE ARG A 49 12.336 -6.694 9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.731 -4.373 9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.472 -5.475 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.709 -8.095 10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.022 -7.570 10.607 1.00 0.00 H new ATOM 749 N GLY A 50 12.801 0.628 10.500 1.00 0.00 N ATOM 750 CA GLY A 50 12.825 1.677 11.503 1.00 0.00 C ATOM 751 C GLY A 50 11.664 2.640 11.358 1.00 0.00 C ATOM 752 O GLY A 50 11.250 3.276 12.327 1.00 0.00 O ATOM 0 H GLY A 50 13.655 0.544 9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.799 1.228 12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.762 2.228 11.427 1.00 0.00 H new ATOM 756 N ILE A 51 11.135 2.746 10.143 1.00 0.00 N ATOM 757 CA ILE A 51 10.013 3.634 9.871 1.00 0.00 C ATOM 758 C ILE A 51 8.686 2.907 10.059 1.00 0.00 C ATOM 759 O ILE A 51 7.729 3.469 10.590 1.00 0.00 O ATOM 760 CB ILE A 51 10.080 4.198 8.438 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.460 4.795 8.164 1.00 0.00 C ATOM 762 CG2 ILE A 51 8.993 5.242 8.228 1.00 0.00 C ATOM 763 CD1 ILE A 51 11.768 4.958 6.692 1.00 0.00 C ATOM 0 H ILE A 51 11.467 2.226 9.331 1.00 0.00 H new ATOM 0 HA ILE A 51 10.078 4.459 10.580 1.00 0.00 H new ATOM 0 HB ILE A 51 9.913 3.382 7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.529 5.768 8.651 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.219 4.157 8.617 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.053 5.631 7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.015 4.786 8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.130 6.058 8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.763 5.387 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.732 3.985 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.031 5.620 6.237 1.00 0.00 H new ATOM 775 N ILE A 52 8.638 1.653 9.621 1.00 0.00 N ATOM 776 CA ILE A 52 7.430 0.846 9.740 1.00 0.00 C ATOM 777 C ILE A 52 7.209 0.392 11.181 1.00 0.00 C ATOM 778 O ILE A 52 6.076 0.157 11.600 1.00 0.00 O ATOM 779 CB ILE A 52 7.494 -0.393 8.821 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.575 0.040 7.357 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.285 -1.293 9.043 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.325 0.735 6.864 1.00 0.00 C ATOM 0 H ILE A 52 9.423 1.174 9.180 1.00 0.00 H new ATOM 0 HA ILE A 52 6.595 1.475 9.433 1.00 0.00 H new ATOM 0 HB ILE A 52 8.391 -0.961 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.427 0.708 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.763 -0.837 6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.351 -2.160 8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.265 -1.626 10.081 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.373 -0.738 8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.452 1.014 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.473 0.062 6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.148 1.630 7.460 1.00 0.00 H new ATOM 794 N ARG A 53 8.297 0.273 11.938 1.00 0.00 N ATOM 795 CA ARG A 53 8.217 -0.154 13.332 1.00 0.00 C ATOM 796 C ARG A 53 7.186 0.668 14.099 1.00 0.00 C ATOM 797 O ARG A 53 6.228 0.125 14.650 1.00 0.00 O ATOM 798 CB ARG A 53 9.586 -0.030 14.003 1.00 0.00 C ATOM 799 CG ARG A 53 9.683 -0.770 15.326 1.00 0.00 C ATOM 800 CD ARG A 53 11.076 -1.342 15.544 1.00 0.00 C ATOM 801 NE ARG A 53 11.439 -1.373 16.959 1.00 0.00 N ATOM 802 CZ ARG A 53 10.978 -2.277 17.822 1.00 0.00 C ATOM 803 NH1 ARG A 53 10.139 -3.222 17.419 1.00 0.00 N ATOM 804 NH2 ARG A 53 11.359 -2.235 19.092 1.00 0.00 N ATOM 0 H ARG A 53 9.243 0.466 11.610 1.00 0.00 H new ATOM 0 HA ARG A 53 7.904 -1.198 13.347 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.350 -0.412 13.325 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.806 1.025 14.169 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.435 -0.092 16.142 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.950 -1.576 15.348 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.121 -2.352 15.136 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.804 -0.744 14.996 1.00 0.00 H new ATOM 0 HE ARG A 53 12.082 -0.662 17.306 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.843 -3.259 16.444 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.790 -3.911 18.085 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.005 -1.511 19.407 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.006 -2.927 19.753 1.00 0.00 H new ATOM 818 N ASP A 54 7.388 1.981 14.128 1.00 0.00 N ATOM 819 CA ASP A 54 6.476 2.881 14.827 1.00 0.00 C ATOM 820 C ASP A 54 5.715 3.772 13.846 1.00 0.00 C ATOM 821 O ASP A 54 5.115 4.771 14.244 1.00 0.00 O ATOM 822 CB ASP A 54 7.249 3.747 15.823 1.00 0.00 C ATOM 823 CG ASP A 54 7.896 2.927 16.922 1.00 0.00 C ATOM 824 OD1 ASP A 54 8.774 2.098 16.605 1.00 0.00 O ATOM 825 OD2 ASP A 54 7.524 3.115 18.100 1.00 0.00 O ATOM 0 H ASP A 54 8.175 2.446 13.676 1.00 0.00 H new ATOM 0 HA ASP A 54 5.751 2.270 15.365 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.018 4.308 15.292 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.572 4.476 16.268 1.00 0.00 H new ATOM 830 N GLY A 55 5.740 3.410 12.565 1.00 0.00 N ATOM 831 CA GLY A 55 5.048 4.200 11.563 1.00 0.00 C ATOM 832 C GLY A 55 3.682 3.642 11.219 1.00 0.00 C ATOM 833 O GLY A 55 2.673 4.057 11.790 1.00 0.00 O ATOM 0 H GLY A 55 6.225 2.588 12.206 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.938 5.222 11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.655 4.246 10.659 1.00 0.00 H new ATOM 837 N LEU A 56 3.648 2.701 10.281 1.00 0.00 N ATOM 838 CA LEU A 56 2.394 2.090 9.859 1.00 0.00 C ATOM 839 C LEU A 56 2.210 0.717 10.503 1.00 0.00 C ATOM 840 O LEU A 56 3.145 -0.083 10.551 1.00 0.00 O ATOM 841 CB LEU A 56 2.358 1.958 8.334 1.00 0.00 C ATOM 842 CG LEU A 56 2.820 3.196 7.566 1.00 0.00 C ATOM 843 CD1 LEU A 56 3.137 2.843 6.123 1.00 0.00 C ATOM 844 CD2 LEU A 56 1.761 4.287 7.629 1.00 0.00 C ATOM 0 H LEU A 56 4.474 2.346 9.799 1.00 0.00 H new ATOM 0 HA LEU A 56 1.577 2.735 10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.984 1.114 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.339 1.719 8.029 1.00 0.00 H new ATOM 0 HG LEU A 56 3.730 3.571 8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.464 3.738 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.930 2.096 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.245 2.442 5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.106 5.161 7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.835 3.921 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.583 4.561 8.669 1.00 0.00 H new ATOM 856 N PRO A 57 0.998 0.423 11.010 1.00 0.00 N ATOM 857 CA PRO A 57 0.704 -0.859 11.650 1.00 0.00 C ATOM 858 C PRO A 57 0.462 -1.970 10.636 1.00 0.00 C ATOM 859 O PRO A 57 -0.605 -2.585 10.613 1.00 0.00 O ATOM 860 CB PRO A 57 -0.569 -0.562 12.439 1.00 0.00 C ATOM 861 CG PRO A 57 -1.262 0.492 11.646 1.00 0.00 C ATOM 862 CD PRO A 57 -0.177 1.317 11.000 1.00 0.00 C ATOM 0 HA PRO A 57 1.532 -1.216 12.263 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.189 -1.453 12.542 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.340 -0.214 13.446 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.913 0.047 10.893 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.891 1.110 12.287 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.448 1.610 9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.013 2.234 11.557 1.00 0.00 H new ATOM 870 N MET A 58 1.463 -2.224 9.804 1.00 0.00 N ATOM 871 CA MET A 58 1.364 -3.264 8.789 1.00 0.00 C ATOM 872 C MET A 58 1.815 -4.607 9.352 1.00 0.00 C ATOM 873 O MET A 58 2.772 -4.681 10.123 1.00 0.00 O ATOM 874 CB MET A 58 2.212 -2.894 7.567 1.00 0.00 C ATOM 875 CG MET A 58 1.400 -2.708 6.297 1.00 0.00 C ATOM 876 SD MET A 58 2.319 -1.849 5.004 1.00 0.00 S ATOM 877 CE MET A 58 3.058 -3.230 4.132 1.00 0.00 C ATOM 0 H MET A 58 2.352 -1.725 9.812 1.00 0.00 H new ATOM 0 HA MET A 58 0.321 -3.349 8.483 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.756 -1.974 7.778 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.956 -3.674 7.402 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.084 -3.683 5.926 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.495 -2.147 6.528 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.856 -2.866 3.484 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.469 -3.937 4.852 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.299 -3.727 3.528 1.00 0.00 H new ATOM 887 N THR A 59 1.123 -5.670 8.956 1.00 0.00 N ATOM 888 CA THR A 59 1.455 -7.014 9.417 1.00 0.00 C ATOM 889 C THR A 59 2.666 -7.560 8.666 1.00 0.00 C ATOM 890 O THR A 59 2.871 -7.249 7.493 1.00 0.00 O ATOM 891 CB THR A 59 0.262 -7.956 9.235 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.673 -7.413 8.317 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.474 -8.246 10.525 1.00 0.00 C ATOM 0 H THR A 59 0.329 -5.627 8.317 1.00 0.00 H new ATOM 0 HA THR A 59 1.699 -6.954 10.478 1.00 0.00 H new ATOM 0 HB THR A 59 0.685 -8.888 8.860 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.427 -8.031 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.308 -8.919 10.325 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.208 -8.714 11.236 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.853 -7.314 10.945 1.00 0.00 H new ATOM 901 N GLU A 60 3.463 -8.381 9.349 1.00 0.00 N ATOM 902 CA GLU A 60 4.660 -8.983 8.752 1.00 0.00 C ATOM 903 C GLU A 60 4.414 -9.367 7.301 1.00 0.00 C ATOM 904 O GLU A 60 5.202 -9.049 6.418 1.00 0.00 O ATOM 905 CB GLU A 60 5.082 -10.226 9.540 1.00 0.00 C ATOM 906 CG GLU A 60 3.917 -11.016 10.124 1.00 0.00 C ATOM 907 CD GLU A 60 4.360 -12.317 10.765 1.00 0.00 C ATOM 908 OE1 GLU A 60 5.399 -12.864 10.340 1.00 0.00 O ATOM 909 OE2 GLU A 60 3.667 -12.788 11.691 1.00 0.00 O ATOM 0 H GLU A 60 3.302 -8.647 10.321 1.00 0.00 H new ATOM 0 HA GLU A 60 5.457 -8.241 8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.659 -10.880 8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.744 -9.922 10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.404 -10.405 10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.196 -11.231 9.335 1.00 0.00 H new ATOM 916 N ALA A 61 3.306 -10.048 7.072 1.00 0.00 N ATOM 917 CA ALA A 61 2.924 -10.483 5.740 1.00 0.00 C ATOM 918 C ALA A 61 2.971 -9.322 4.754 1.00 0.00 C ATOM 919 O ALA A 61 3.615 -9.409 3.716 1.00 0.00 O ATOM 920 CB ALA A 61 1.536 -11.096 5.778 1.00 0.00 C ATOM 0 H ALA A 61 2.646 -10.315 7.803 1.00 0.00 H new ATOM 0 HA ALA A 61 3.635 -11.237 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.254 -11.421 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.535 -11.953 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.820 -10.355 6.134 1.00 0.00 H new ATOM 926 N GLU A 62 2.296 -8.228 5.091 1.00 0.00 N ATOM 927 CA GLU A 62 2.287 -7.052 4.222 1.00 0.00 C ATOM 928 C GLU A 62 3.713 -6.610 3.933 1.00 0.00 C ATOM 929 O GLU A 62 4.156 -6.610 2.786 1.00 0.00 O ATOM 930 CB GLU A 62 1.509 -5.886 4.849 1.00 0.00 C ATOM 931 CG GLU A 62 0.474 -6.300 5.880 1.00 0.00 C ATOM 932 CD GLU A 62 -0.453 -7.388 5.377 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.308 -7.089 4.517 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.326 -8.540 5.844 1.00 0.00 O ATOM 0 H GLU A 62 1.753 -8.129 5.949 1.00 0.00 H new ATOM 0 HA GLU A 62 1.788 -7.333 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.218 -5.204 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.010 -5.330 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.982 -6.649 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.116 -5.429 6.166 1.00 0.00 H new ATOM 941 N ILE A 63 4.428 -6.240 4.990 1.00 0.00 N ATOM 942 CA ILE A 63 5.817 -5.797 4.863 1.00 0.00 C ATOM 943 C ILE A 63 6.680 -6.870 4.213 1.00 0.00 C ATOM 944 O ILE A 63 7.250 -6.661 3.146 1.00 0.00 O ATOM 945 CB ILE A 63 6.434 -5.445 6.231 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.440 -4.670 7.090 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.712 -4.645 6.045 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.787 -5.527 8.146 1.00 0.00 C ATOM 0 H ILE A 63 4.071 -6.237 5.946 1.00 0.00 H new ATOM 0 HA ILE A 63 5.796 -4.905 4.236 1.00 0.00 H new ATOM 0 HB ILE A 63 6.677 -6.374 6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.954 -3.838 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.670 -4.241 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.136 -4.404 7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.429 -5.233 5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.489 -3.723 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.090 -4.922 8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.247 -6.345 7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.551 -5.935 8.808 1.00 0.00 H new ATOM 960 N THR A 64 6.773 -8.018 4.873 1.00 0.00 N ATOM 961 CA THR A 64 7.568 -9.138 4.381 1.00 0.00 C ATOM 962 C THR A 64 7.201 -9.488 2.945 1.00 0.00 C ATOM 963 O THR A 64 8.070 -9.574 2.076 1.00 0.00 O ATOM 964 CB THR A 64 7.348 -10.358 5.267 1.00 0.00 C ATOM 965 OG1 THR A 64 7.773 -10.102 6.592 1.00 0.00 O ATOM 966 CG2 THR A 64 8.071 -11.593 4.778 1.00 0.00 C ATOM 0 H THR A 64 6.302 -8.199 5.760 1.00 0.00 H new ATOM 0 HA THR A 64 8.617 -8.842 4.408 1.00 0.00 H new ATOM 0 HB THR A 64 6.276 -10.550 5.230 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.063 -9.632 7.078 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.871 -12.424 5.455 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.721 -11.848 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.143 -11.399 4.748 1.00 0.00 H new ATOM 974 N GLU A 65 5.911 -9.690 2.699 1.00 0.00 N ATOM 975 CA GLU A 65 5.449 -10.029 1.357 1.00 0.00 C ATOM 976 C GLU A 65 5.712 -8.888 0.403 1.00 0.00 C ATOM 977 O GLU A 65 5.686 -9.046 -0.816 1.00 0.00 O ATOM 978 CB GLU A 65 3.963 -10.382 1.357 1.00 0.00 C ATOM 979 CG GLU A 65 3.497 -11.062 0.081 1.00 0.00 C ATOM 980 CD GLU A 65 3.314 -12.557 0.249 1.00 0.00 C ATOM 981 OE1 GLU A 65 4.074 -13.163 1.035 1.00 0.00 O ATOM 982 OE2 GLU A 65 2.411 -13.123 -0.401 1.00 0.00 O ATOM 0 H GLU A 65 5.174 -9.626 3.401 1.00 0.00 H new ATOM 0 HA GLU A 65 6.007 -10.904 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.754 -11.036 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.382 -9.472 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.554 -10.618 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.222 -10.875 -0.711 1.00 0.00 H new ATOM 989 N PHE A 66 5.982 -7.745 0.985 1.00 0.00 N ATOM 990 CA PHE A 66 6.277 -6.549 0.226 1.00 0.00 C ATOM 991 C PHE A 66 7.784 -6.381 0.069 1.00 0.00 C ATOM 992 O PHE A 66 8.258 -5.807 -0.911 1.00 0.00 O ATOM 993 CB PHE A 66 5.677 -5.311 0.898 1.00 0.00 C ATOM 994 CG PHE A 66 4.242 -5.054 0.528 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.386 -6.102 0.227 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.749 -3.759 0.485 1.00 0.00 C ATOM 997 CE1 PHE A 66 2.067 -5.863 -0.111 1.00 0.00 C ATOM 998 CE2 PHE A 66 2.430 -3.514 0.147 1.00 0.00 C ATOM 999 CZ PHE A 66 1.589 -4.568 -0.151 1.00 0.00 C ATOM 0 H PHE A 66 6.004 -7.615 1.996 1.00 0.00 H new ATOM 0 HA PHE A 66 5.826 -6.655 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.748 -5.426 1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.273 -4.439 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.754 -7.117 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.403 -2.931 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.411 -6.689 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.059 -2.500 0.116 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.559 -4.380 -0.415 1.00 0.00 H new ATOM 1009 N PHE A 67 8.535 -6.890 1.043 1.00 0.00 N ATOM 1010 CA PHE A 67 9.991 -6.801 1.016 1.00 0.00 C ATOM 1011 C PHE A 67 10.584 -7.869 0.099 1.00 0.00 C ATOM 1012 O PHE A 67 11.689 -7.712 -0.417 1.00 0.00 O ATOM 1013 CB PHE A 67 10.555 -6.948 2.431 1.00 0.00 C ATOM 1014 CG PHE A 67 10.435 -5.708 3.283 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.064 -4.485 2.735 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.697 -5.772 4.644 1.00 0.00 C ATOM 1017 CE1 PHE A 67 9.959 -3.357 3.527 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.592 -4.646 5.438 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.224 -3.440 4.880 1.00 0.00 C ATOM 0 H PHE A 67 8.158 -7.369 1.861 1.00 0.00 H new ATOM 0 HA PHE A 67 10.267 -5.822 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.040 -7.768 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.607 -7.226 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.855 -4.416 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.986 -6.713 5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.670 -2.413 3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.798 -4.711 6.496 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.143 -2.560 5.501 1.00 0.00 H new ATOM 1029 N GLU A 68 9.838 -8.952 -0.100 1.00 0.00 N ATOM 1030 CA GLU A 68 10.288 -10.041 -0.959 1.00 0.00 C ATOM 1031 C GLU A 68 9.758 -9.867 -2.379 1.00 0.00 C ATOM 1032 O GLU A 68 10.370 -10.333 -3.340 1.00 0.00 O ATOM 1033 CB GLU A 68 9.832 -11.386 -0.392 1.00 0.00 C ATOM 1034 CG GLU A 68 10.133 -11.557 1.088 1.00 0.00 C ATOM 1035 CD GLU A 68 11.536 -12.071 1.342 1.00 0.00 C ATOM 1036 OE1 GLU A 68 11.738 -13.302 1.281 1.00 0.00 O ATOM 1037 OE2 GLU A 68 12.434 -11.242 1.601 1.00 0.00 O ATOM 0 H GLU A 68 8.921 -9.098 0.322 1.00 0.00 H new ATOM 0 HA GLU A 68 11.377 -10.020 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.759 -11.492 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.317 -12.188 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.003 -10.600 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.412 -12.249 1.524 1.00 0.00 H new ATOM 1044 N ALA A 69 8.616 -9.195 -2.503 1.00 0.00 N ATOM 1045 CA ALA A 69 8.004 -8.962 -3.808 1.00 0.00 C ATOM 1046 C ALA A 69 8.495 -7.671 -4.436 1.00 0.00 C ATOM 1047 O ALA A 69 8.264 -7.402 -5.615 1.00 0.00 O ATOM 1048 CB ALA A 69 6.495 -8.941 -3.679 1.00 0.00 C ATOM 0 H ALA A 69 8.097 -8.803 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 69 8.298 -9.781 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.049 -8.767 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.150 -9.898 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.199 -8.143 -2.998 1.00 0.00 H new ATOM 1054 N ALA A 70 9.173 -6.889 -3.635 1.00 0.00 N ATOM 1055 CA ALA A 70 9.722 -5.610 -4.071 1.00 0.00 C ATOM 1056 C ALA A 70 11.194 -5.747 -4.444 1.00 0.00 C ATOM 1057 O ALA A 70 11.709 -4.992 -5.268 1.00 0.00 O ATOM 1058 CB ALA A 70 9.542 -4.558 -2.988 1.00 0.00 C ATOM 0 H ALA A 70 9.366 -7.113 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 70 9.177 -5.291 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.957 -3.610 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.480 -4.434 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.059 -4.876 -2.083 1.00 0.00 H new ATOM 1064 N ASP A 71 11.867 -6.716 -3.829 1.00 0.00 N ATOM 1065 CA ASP A 71 13.280 -6.954 -4.095 1.00 0.00 C ATOM 1066 C ASP A 71 13.502 -8.373 -4.616 1.00 0.00 C ATOM 1067 O ASP A 71 13.604 -9.319 -3.834 1.00 0.00 O ATOM 1068 CB ASP A 71 14.101 -6.732 -2.824 1.00 0.00 C ATOM 1069 CG ASP A 71 15.547 -6.382 -3.121 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.996 -6.629 -4.260 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.228 -5.859 -2.215 1.00 0.00 O ATOM 0 H ASP A 71 11.455 -7.349 -3.143 1.00 0.00 H new ATOM 0 HA ASP A 71 13.607 -6.249 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.649 -5.931 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.067 -7.633 -2.211 1.00 0.00 H new ATOM 1076 N PRO A 72 13.582 -8.546 -5.948 1.00 0.00 N ATOM 1077 CA PRO A 72 13.794 -9.864 -6.559 1.00 0.00 C ATOM 1078 C PRO A 72 15.140 -10.467 -6.177 1.00 0.00 C ATOM 1079 O PRO A 72 15.287 -11.686 -6.100 1.00 0.00 O ATOM 1080 CB PRO A 72 13.740 -9.582 -8.064 1.00 0.00 C ATOM 1081 CG PRO A 72 14.030 -8.128 -8.198 1.00 0.00 C ATOM 1082 CD PRO A 72 13.475 -7.481 -6.961 1.00 0.00 C ATOM 0 HA PRO A 72 13.051 -10.588 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.473 -10.181 -8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.761 -9.828 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.102 -7.950 -8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.566 -7.718 -9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.046 -6.597 -6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.442 -7.162 -7.102 1.00 0.00 H new ATOM 1090 N ASN A 73 16.120 -9.603 -5.932 1.00 0.00 N ATOM 1091 CA ASN A 73 17.455 -10.048 -5.553 1.00 0.00 C ATOM 1092 C ASN A 73 17.527 -10.334 -4.055 1.00 0.00 C ATOM 1093 O ASN A 73 18.338 -11.143 -3.606 1.00 0.00 O ATOM 1094 CB ASN A 73 18.495 -8.992 -5.931 1.00 0.00 C ATOM 1095 CG ASN A 73 18.349 -8.526 -7.367 1.00 0.00 C ATOM 1096 OD1 ASN A 73 17.514 -9.035 -8.116 1.00 0.00 O ATOM 1097 ND2 ASN A 73 19.164 -7.553 -7.758 1.00 0.00 N ATOM 0 H ASN A 73 16.014 -8.590 -5.989 1.00 0.00 H new ATOM 0 HA ASN A 73 17.670 -10.970 -6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.400 -8.136 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.495 -9.401 -5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 73 19.113 -7.198 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 73 19.841 -7.161 -7.103 1.00 0.00 H new ATOM 1104 N ASN A 74 16.677 -9.657 -3.290 1.00 0.00 N ATOM 1105 CA ASN A 74 16.641 -9.824 -1.841 1.00 0.00 C ATOM 1106 C ASN A 74 17.854 -9.164 -1.207 1.00 0.00 C ATOM 1107 O ASN A 74 18.452 -9.697 -0.273 1.00 0.00 O ATOM 1108 CB ASN A 74 16.590 -11.302 -1.455 1.00 0.00 C ATOM 1109 CG ASN A 74 15.604 -12.090 -2.296 1.00 0.00 C ATOM 1110 OD1 ASN A 74 14.396 -12.046 -2.060 1.00 0.00 O ATOM 1111 ND2 ASN A 74 16.115 -12.815 -3.283 1.00 0.00 N ATOM 0 H ASN A 74 16.001 -8.984 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 74 15.735 -9.344 -1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 74 17.584 -11.737 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.317 -11.390 -0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.500 -13.366 -3.883 1.00 0.00 H new ATOM 0 HD22 ASN A 74 17.122 -12.822 -3.442 1.00 0.00 H new ATOM 1118 N THR A 75 18.209 -7.995 -1.724 1.00 0.00 N ATOM 1119 CA THR A 75 19.348 -7.251 -1.211 1.00 0.00 C ATOM 1120 C THR A 75 18.908 -6.280 -0.119 1.00 0.00 C ATOM 1121 O THR A 75 19.522 -5.232 0.084 1.00 0.00 O ATOM 1122 CB THR A 75 20.047 -6.498 -2.350 1.00 0.00 C ATOM 1123 OG1 THR A 75 20.940 -5.523 -1.840 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.087 -5.798 -3.288 1.00 0.00 C ATOM 0 H THR A 75 17.723 -7.543 -2.499 1.00 0.00 H new ATOM 0 HA THR A 75 20.055 -7.957 -0.775 1.00 0.00 H new ATOM 0 HB THR A 75 20.581 -7.265 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.463 -4.936 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.649 -5.286 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.422 -6.532 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.498 -5.071 -2.729 1.00 0.00 H new ATOM 1132 N GLY A 76 17.833 -6.636 0.585 1.00 0.00 N ATOM 1133 CA GLY A 76 17.320 -5.792 1.647 1.00 0.00 C ATOM 1134 C GLY A 76 17.201 -4.342 1.223 1.00 0.00 C ATOM 1135 O GLY A 76 17.359 -3.432 2.036 1.00 0.00 O ATOM 0 H GLY A 76 17.309 -7.498 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.342 -6.158 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.978 -5.862 2.513 1.00 0.00 H new ATOM 1139 N PHE A 77 16.923 -4.136 -0.058 1.00 0.00 N ATOM 1140 CA PHE A 77 16.780 -2.795 -0.603 1.00 0.00 C ATOM 1141 C PHE A 77 15.536 -2.712 -1.486 1.00 0.00 C ATOM 1142 O PHE A 77 15.337 -3.539 -2.375 1.00 0.00 O ATOM 1143 CB PHE A 77 18.044 -2.417 -1.391 1.00 0.00 C ATOM 1144 CG PHE A 77 17.797 -1.526 -2.575 1.00 0.00 C ATOM 1145 CD1 PHE A 77 17.422 -0.204 -2.400 1.00 0.00 C ATOM 1146 CD2 PHE A 77 17.942 -2.013 -3.863 1.00 0.00 C ATOM 1147 CE1 PHE A 77 17.195 0.615 -3.489 1.00 0.00 C ATOM 1148 CE2 PHE A 77 17.717 -1.198 -4.957 1.00 0.00 C ATOM 1149 CZ PHE A 77 17.342 0.118 -4.769 1.00 0.00 C ATOM 0 H PHE A 77 16.792 -4.884 -0.739 1.00 0.00 H new ATOM 0 HA PHE A 77 16.658 -2.085 0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.742 -1.920 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 77 18.529 -3.330 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.306 0.191 -1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 77 18.234 -3.042 -4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.903 1.644 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.834 -1.590 -5.957 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.164 0.757 -5.621 1.00 0.00 H new ATOM 1159 N ILE A 78 14.702 -1.709 -1.229 1.00 0.00 N ATOM 1160 CA ILE A 78 13.478 -1.519 -1.996 1.00 0.00 C ATOM 1161 C ILE A 78 13.626 -0.398 -3.010 1.00 0.00 C ATOM 1162 O ILE A 78 14.339 0.578 -2.781 1.00 0.00 O ATOM 1163 CB ILE A 78 12.281 -1.163 -1.083 1.00 0.00 C ATOM 1164 CG1 ILE A 78 11.956 -2.301 -0.125 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.044 -0.824 -1.911 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.791 -1.979 0.783 1.00 0.00 C ATOM 0 H ILE A 78 14.852 -1.016 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 78 13.293 -2.466 -2.503 1.00 0.00 H new ATOM 0 HB ILE A 78 12.570 -0.288 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.728 -3.200 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.834 -2.523 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.217 -0.577 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.259 0.030 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.771 -1.682 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.602 -2.824 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.027 -1.097 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.904 -1.784 0.181 1.00 0.00 H new ATOM 1178 N ASP A 79 12.891 -0.521 -4.106 1.00 0.00 N ATOM 1179 CA ASP A 79 12.881 0.507 -5.126 1.00 0.00 C ATOM 1180 C ASP A 79 11.713 1.435 -4.836 1.00 0.00 C ATOM 1181 O ASP A 79 10.575 1.136 -5.196 1.00 0.00 O ATOM 1182 CB ASP A 79 12.745 -0.109 -6.519 1.00 0.00 C ATOM 1183 CG ASP A 79 14.083 -0.277 -7.211 1.00 0.00 C ATOM 1184 OD1 ASP A 79 14.946 0.613 -7.061 1.00 0.00 O ATOM 1185 OD2 ASP A 79 14.268 -1.300 -7.905 1.00 0.00 O ATOM 0 H ASP A 79 12.295 -1.324 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 79 13.820 1.061 -5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.257 -1.080 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.100 0.522 -7.130 1.00 0.00 H new ATOM 1190 N TYR A 80 11.997 2.537 -4.141 1.00 0.00 N ATOM 1191 CA TYR A 80 10.970 3.506 -3.747 1.00 0.00 C ATOM 1192 C TYR A 80 9.809 3.552 -4.737 1.00 0.00 C ATOM 1193 O TYR A 80 8.649 3.640 -4.339 1.00 0.00 O ATOM 1194 CB TYR A 80 11.585 4.898 -3.608 1.00 0.00 C ATOM 1195 CG TYR A 80 10.621 5.937 -3.082 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.016 5.785 -1.840 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.314 7.068 -3.827 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.134 6.733 -1.355 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.434 8.021 -3.349 1.00 0.00 C ATOM 1200 CZ TYR A 80 8.847 7.849 -2.114 1.00 0.00 C ATOM 1201 OH TYR A 80 7.969 8.794 -1.635 1.00 0.00 O ATOM 0 H TYR A 80 12.939 2.783 -3.836 1.00 0.00 H new ATOM 0 HA TYR A 80 10.572 3.180 -2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.444 4.841 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.958 5.220 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.238 4.912 -1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.770 7.205 -4.796 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.672 6.601 -0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.208 8.896 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 80 7.877 9.517 -2.290 1.00 0.00 H new ATOM 1211 N LYS A 81 10.125 3.487 -6.026 1.00 0.00 N ATOM 1212 CA LYS A 81 9.099 3.515 -7.059 1.00 0.00 C ATOM 1213 C LYS A 81 8.232 2.264 -6.988 1.00 0.00 C ATOM 1214 O LYS A 81 7.011 2.350 -6.862 1.00 0.00 O ATOM 1215 CB LYS A 81 9.734 3.638 -8.445 1.00 0.00 C ATOM 1216 CG LYS A 81 9.918 5.075 -8.905 1.00 0.00 C ATOM 1217 CD LYS A 81 10.873 5.164 -10.084 1.00 0.00 C ATOM 1218 CE LYS A 81 12.279 5.528 -9.636 1.00 0.00 C ATOM 1219 NZ LYS A 81 13.293 5.218 -10.682 1.00 0.00 N ATOM 0 H LYS A 81 11.080 3.415 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 81 8.467 4.386 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.704 3.141 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.112 3.111 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.952 5.495 -9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.300 5.676 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.893 4.209 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.511 5.910 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.320 6.590 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.521 4.984 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.238 5.481 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.272 4.200 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.077 5.756 -11.545 1.00 0.00 H new ATOM 1233 N ALA A 82 8.873 1.099 -7.050 1.00 0.00 N ATOM 1234 CA ALA A 82 8.156 -0.170 -6.974 1.00 0.00 C ATOM 1235 C ALA A 82 7.260 -0.204 -5.741 1.00 0.00 C ATOM 1236 O ALA A 82 6.232 -0.881 -5.722 1.00 0.00 O ATOM 1237 CB ALA A 82 9.137 -1.332 -6.942 1.00 0.00 C ATOM 0 H ALA A 82 9.884 1.008 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 82 7.530 -0.265 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.587 -2.271 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.744 -1.321 -7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.784 -1.238 -6.070 1.00 0.00 H new ATOM 1243 N PHE A 83 7.662 0.536 -4.715 1.00 0.00 N ATOM 1244 CA PHE A 83 6.909 0.605 -3.473 1.00 0.00 C ATOM 1245 C PHE A 83 5.884 1.733 -3.523 1.00 0.00 C ATOM 1246 O PHE A 83 4.805 1.634 -2.937 1.00 0.00 O ATOM 1247 CB PHE A 83 7.862 0.806 -2.294 1.00 0.00 C ATOM 1248 CG PHE A 83 7.764 -0.282 -1.264 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.006 -1.599 -1.613 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.428 0.012 0.047 1.00 0.00 C ATOM 1251 CE1 PHE A 83 7.917 -2.606 -0.675 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.335 -0.993 0.993 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.582 -2.304 0.632 1.00 0.00 C ATOM 0 H PHE A 83 8.512 1.100 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 83 6.374 -0.335 -3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.885 0.854 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.649 1.765 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.268 -1.841 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.237 1.036 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.109 -3.630 -0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.070 -0.754 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.514 -3.091 1.369 1.00 0.00 H new ATOM 1263 N ALA A 84 6.229 2.805 -4.229 1.00 0.00 N ATOM 1264 CA ALA A 84 5.340 3.954 -4.360 1.00 0.00 C ATOM 1265 C ALA A 84 4.242 3.688 -5.386 1.00 0.00 C ATOM 1266 O ALA A 84 3.173 4.295 -5.333 1.00 0.00 O ATOM 1267 CB ALA A 84 6.135 5.192 -4.746 1.00 0.00 C ATOM 0 H ALA A 84 7.118 2.902 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 84 4.864 4.125 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.460 6.043 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.878 5.402 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.637 5.020 -5.698 1.00 0.00 H new ATOM 1273 N ALA A 85 4.513 2.778 -6.317 1.00 0.00 N ATOM 1274 CA ALA A 85 3.543 2.435 -7.352 1.00 0.00 C ATOM 1275 C ALA A 85 2.393 1.614 -6.795 1.00 0.00 C ATOM 1276 O ALA A 85 1.374 1.406 -7.454 1.00 0.00 O ATOM 1277 CB ALA A 85 4.222 1.690 -8.485 1.00 0.00 C ATOM 0 H ALA A 85 5.393 2.266 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 85 3.128 3.367 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.486 1.441 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.998 2.319 -8.920 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.670 0.774 -8.101 1.00 0.00 H new ATOM 1283 N MET A 86 2.575 1.161 -5.578 1.00 0.00 N ATOM 1284 CA MET A 86 1.571 0.359 -4.889 1.00 0.00 C ATOM 1285 C MET A 86 0.414 1.233 -4.414 1.00 0.00 C ATOM 1286 O MET A 86 -0.745 0.823 -4.459 1.00 0.00 O ATOM 1287 CB MET A 86 2.199 -0.370 -3.699 1.00 0.00 C ATOM 1288 CG MET A 86 3.342 -1.292 -4.086 1.00 0.00 C ATOM 1289 SD MET A 86 3.590 -2.627 -2.900 1.00 0.00 S ATOM 1290 CE MET A 86 2.975 -4.027 -3.830 1.00 0.00 C ATOM 0 H MET A 86 3.419 1.333 -5.031 1.00 0.00 H new ATOM 0 HA MET A 86 1.183 -0.378 -5.592 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.564 0.367 -2.983 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.429 -0.952 -3.193 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.143 -1.717 -5.070 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.260 -0.711 -4.170 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.062 -4.931 -3.227 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.929 -3.862 -4.087 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.559 -4.142 -4.743 1.00 0.00 H new ATOM 1300 N LEU A 87 0.739 2.439 -3.961 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.274 3.373 -3.479 1.00 0.00 C ATOM 1302 C LEU A 87 -0.826 4.223 -4.604 1.00 0.00 C ATOM 1303 O LEU A 87 -1.778 4.987 -4.435 1.00 0.00 O ATOM 1304 CB LEU A 87 0.313 4.272 -2.402 1.00 0.00 C ATOM 1305 CG LEU A 87 0.768 3.555 -1.129 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.052 4.173 -0.599 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.325 3.606 -0.071 1.00 0.00 C ATOM 0 H LEU A 87 1.695 2.793 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.092 2.787 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.165 4.807 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.431 5.021 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 87 0.964 2.511 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.361 3.650 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.835 4.087 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.882 5.225 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.015 3.092 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.551 4.645 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.222 3.118 -0.451 1.00 0.00 H new ATOM 1319 N TYR A 88 -0.209 4.069 -5.739 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.589 4.794 -6.946 1.00 0.00 C ATOM 1321 C TYR A 88 -0.849 3.837 -8.105 1.00 0.00 C ATOM 1322 O TYR A 88 -0.778 4.224 -9.271 1.00 0.00 O ATOM 1323 CB TYR A 88 0.504 5.793 -7.330 1.00 0.00 C ATOM 1324 CG TYR A 88 0.604 6.974 -6.390 1.00 0.00 C ATOM 1325 CD1 TYR A 88 -0.427 7.900 -6.296 1.00 0.00 C ATOM 1326 CD2 TYR A 88 1.729 7.160 -5.596 1.00 0.00 C ATOM 1327 CE1 TYR A 88 -0.339 8.980 -5.437 1.00 0.00 C ATOM 1328 CE2 TYR A 88 1.825 8.237 -4.735 1.00 0.00 C ATOM 1329 CZ TYR A 88 0.788 9.143 -4.659 1.00 0.00 C ATOM 1330 OH TYR A 88 0.879 10.217 -3.803 1.00 0.00 O ATOM 0 H TYR A 88 0.580 3.435 -5.868 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.512 5.335 -6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.464 5.277 -7.354 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.312 6.158 -8.339 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.311 7.775 -6.903 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.542 6.451 -5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.149 9.692 -5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.707 8.368 -4.125 1.00 0.00 H new ATOM 0 HH TYR A 88 1.735 10.185 -3.327 1.00 0.00 H new ATOM 1340 N SER A 89 -1.152 2.585 -7.777 1.00 0.00 N ATOM 1341 CA SER A 89 -1.423 1.572 -8.791 1.00 0.00 C ATOM 1342 C SER A 89 -2.785 1.802 -9.439 1.00 0.00 C ATOM 1343 O SER A 89 -3.816 1.405 -8.895 1.00 0.00 O ATOM 1344 CB SER A 89 -1.368 0.175 -8.174 1.00 0.00 C ATOM 1345 OG SER A 89 -0.860 -0.772 -9.098 1.00 0.00 O ATOM 0 H SER A 89 -1.216 2.248 -6.817 1.00 0.00 H new ATOM 0 HA SER A 89 -0.656 1.651 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.740 0.192 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.366 -0.124 -7.854 1.00 0.00 H new ATOM 0 HG SER A 89 -0.833 -1.657 -8.678 1.00 0.00 H new