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 Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0489) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 27 GLN : amide:sc= -0.0935 X(o=-0.093,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -4.77 K(o=-4.8,f=-16!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00467 USER MOD Single : A 58 MET CE :methyl -172:sc= -4.72! (180deg=-5.34!) USER MOD Single : A 59 THR OG1 : rot 129:sc= -0.505 USER MOD Single : A 64 THR OG1 : rot 80:sc= 0.143 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.4) USER MOD Single : A 75 THR OG1 : rot -59: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 -135:sc= 0 (180deg=-0.00801) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -67:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.876 3.912 1.005 1.00 0.00 N ATOM 351 CA LYS A 25 -4.571 4.494 0.726 1.00 0.00 C ATOM 352 C LYS A 25 -4.260 5.621 1.707 1.00 0.00 C ATOM 353 O LYS A 25 -3.097 5.916 1.981 1.00 0.00 O ATOM 354 CB LYS A 25 -4.520 5.021 -0.710 1.00 0.00 C ATOM 355 CG LYS A 25 -3.181 5.635 -1.087 1.00 0.00 C ATOM 356 CD LYS A 25 -3.300 7.131 -1.328 1.00 0.00 C ATOM 357 CE LYS A 25 -2.021 7.705 -1.914 1.00 0.00 C ATOM 358 NZ LYS A 25 -2.274 8.946 -2.697 1.00 0.00 N ATOM 0 HA LYS A 25 -3.819 3.714 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.741 4.203 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.303 5.768 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.459 5.450 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.798 5.150 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.131 7.326 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.529 7.635 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.319 7.921 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.551 6.961 -2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.367 9.370 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.827 8.714 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.805 9.623 -2.113 1.00 0.00 H new ATOM 372 N THR A 26 -5.310 6.250 2.230 1.00 0.00 N ATOM 373 CA THR A 26 -5.149 7.345 3.178 1.00 0.00 C ATOM 374 C THR A 26 -4.570 6.841 4.492 1.00 0.00 C ATOM 375 O THR A 26 -3.861 7.567 5.185 1.00 0.00 O ATOM 376 CB THR A 26 -6.478 8.067 3.414 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.553 7.346 2.840 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.497 9.466 2.832 1.00 0.00 C ATOM 0 H THR A 26 -6.279 6.019 2.012 1.00 0.00 H new ATOM 0 HA THR A 26 -4.448 8.061 2.748 1.00 0.00 H new ATOM 0 HB THR A 26 -6.589 8.133 4.496 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.392 7.824 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.464 9.929 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.708 10.062 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.333 9.415 1.756 1.00 0.00 H new ATOM 386 N GLN A 27 -4.849 5.587 4.823 1.00 0.00 N ATOM 387 CA GLN A 27 -4.319 4.997 6.045 1.00 0.00 C ATOM 388 C GLN A 27 -2.793 5.030 6.011 1.00 0.00 C ATOM 389 O GLN A 27 -2.133 5.018 7.050 1.00 0.00 O ATOM 390 CB GLN A 27 -4.813 3.556 6.203 1.00 0.00 C ATOM 391 CG GLN A 27 -5.091 3.166 7.644 1.00 0.00 C ATOM 392 CD GLN A 27 -6.255 2.201 7.772 1.00 0.00 C ATOM 393 OE1 GLN A 27 -7.104 2.347 8.651 1.00 0.00 O ATOM 394 NE2 GLN A 27 -6.300 1.208 6.892 1.00 0.00 N ATOM 0 H GLN A 27 -5.434 4.963 4.268 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.672 5.576 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.723 3.426 5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.068 2.877 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.198 2.711 8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.302 4.064 8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.575 1.125 6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.060 0.528 6.928 1.00 0.00 H new ATOM 403 N LEU A 28 -2.246 5.078 4.797 1.00 0.00 N ATOM 404 CA LEU A 28 -0.803 5.120 4.591 1.00 0.00 C ATOM 405 C LEU A 28 -0.283 6.549 4.596 1.00 0.00 C ATOM 406 O LEU A 28 0.923 6.794 4.641 1.00 0.00 O ATOM 407 CB LEU A 28 -0.454 4.450 3.270 1.00 0.00 C ATOM 408 CG LEU A 28 1.039 4.194 3.043 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.262 2.806 2.461 1.00 0.00 C ATOM 410 CD2 LEU A 28 1.630 5.259 2.131 1.00 0.00 C ATOM 0 H LEU A 28 -2.789 5.089 3.934 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.328 4.585 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.982 3.498 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.828 5.071 2.456 1.00 0.00 H new ATOM 0 HG LEU A 28 1.547 4.246 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.329 2.643 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.876 2.056 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.741 2.723 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.691 5.061 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.118 5.240 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.505 6.240 2.589 1.00 0.00 H new ATOM 422 N ILE A 29 -1.211 7.473 4.546 1.00 0.00 N ATOM 423 CA ILE A 29 -0.903 8.903 4.536 1.00 0.00 C ATOM 424 C ILE A 29 -0.269 9.353 5.833 1.00 0.00 C ATOM 425 O ILE A 29 0.304 10.438 5.935 1.00 0.00 O ATOM 426 CB ILE A 29 -2.165 9.733 4.276 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.735 9.408 2.901 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.885 11.227 4.414 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.008 10.063 1.756 1.00 0.00 C ATOM 0 H ILE A 29 -2.209 7.265 4.511 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.189 9.064 3.729 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.907 9.470 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.714 8.328 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.781 9.713 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.800 11.788 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.533 11.439 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.122 11.522 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.479 9.778 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.051 11.146 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.967 9.739 1.753 1.00 0.00 H new ATOM 441 N GLU A 30 -0.381 8.495 6.797 1.00 0.00 N ATOM 442 CA GLU A 30 0.169 8.732 8.127 1.00 0.00 C ATOM 443 C GLU A 30 1.672 8.505 8.158 1.00 0.00 C ATOM 444 O GLU A 30 2.314 8.618 9.202 1.00 0.00 O ATOM 445 CB GLU A 30 -0.529 7.855 9.169 1.00 0.00 C ATOM 446 CG GLU A 30 -0.064 8.119 10.593 1.00 0.00 C ATOM 447 CD GLU A 30 -0.979 7.494 11.628 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.100 6.252 11.640 1.00 0.00 O ATOM 449 OE2 GLU A 30 -1.572 8.248 12.428 1.00 0.00 O ATOM 0 H GLU A 30 -0.857 7.598 6.699 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.015 9.777 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.605 8.020 9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.354 6.807 8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.945 7.727 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.012 9.195 10.761 1.00 0.00 H new ATOM 456 N ALA A 31 2.218 8.187 7.004 1.00 0.00 N ATOM 457 CA ALA A 31 3.647 7.939 6.864 1.00 0.00 C ATOM 458 C ALA A 31 4.386 9.207 6.453 1.00 0.00 C ATOM 459 O ALA A 31 5.552 9.400 6.801 1.00 0.00 O ATOM 460 CB ALA A 31 3.894 6.832 5.849 1.00 0.00 C ATOM 0 H ALA A 31 1.691 8.092 6.136 1.00 0.00 H new ATOM 0 HA ALA A 31 4.032 7.622 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.966 6.657 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.405 5.917 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.488 7.128 4.882 1.00 0.00 H new ATOM 466 N PHE A 32 3.702 10.071 5.709 1.00 0.00 N ATOM 467 CA PHE A 32 4.293 11.322 5.250 1.00 0.00 C ATOM 468 C PHE A 32 4.762 12.173 6.427 1.00 0.00 C ATOM 469 O PHE A 32 5.666 12.996 6.288 1.00 0.00 O ATOM 470 CB PHE A 32 3.283 12.108 4.409 1.00 0.00 C ATOM 471 CG PHE A 32 3.088 11.548 3.029 1.00 0.00 C ATOM 472 CD1 PHE A 32 4.090 11.647 2.078 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.900 10.923 2.683 1.00 0.00 C ATOM 474 CE1 PHE A 32 3.913 11.134 0.807 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.717 10.407 1.415 1.00 0.00 C ATOM 476 CZ PHE A 32 2.724 10.513 0.476 1.00 0.00 C ATOM 0 H PHE A 32 2.737 9.927 5.411 1.00 0.00 H new ATOM 0 HA PHE A 32 5.160 11.079 4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.324 12.121 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.616 13.143 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.021 12.131 2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.109 10.839 3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.702 11.218 0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.787 9.921 1.158 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.582 10.111 -0.516 1.00 0.00 H new ATOM 486 N TYR A 33 4.143 11.970 7.585 1.00 0.00 N ATOM 487 CA TYR A 33 4.499 12.720 8.785 1.00 0.00 C ATOM 488 C TYR A 33 5.481 11.934 9.648 1.00 0.00 C ATOM 489 O TYR A 33 5.391 11.947 10.877 1.00 0.00 O ATOM 490 CB TYR A 33 3.245 13.056 9.594 1.00 0.00 C ATOM 491 CG TYR A 33 2.104 13.583 8.753 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.245 12.715 8.089 1.00 0.00 C ATOM 493 CD2 TYR A 33 1.885 14.949 8.623 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.202 13.194 7.320 1.00 0.00 C ATOM 495 CE2 TYR A 33 0.844 15.436 7.856 1.00 0.00 C ATOM 496 CZ TYR A 33 0.005 14.554 7.206 1.00 0.00 C ATOM 497 OH TYR A 33 -1.032 15.035 6.442 1.00 0.00 O ATOM 0 H TYR A 33 3.392 11.293 7.719 1.00 0.00 H new ATOM 0 HA TYR A 33 4.980 13.647 8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.913 12.162 10.122 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.499 13.797 10.351 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.395 11.649 8.176 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.540 15.642 9.130 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.456 12.506 6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.688 16.501 7.766 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.031 16.015 6.468 1.00 0.00 H new ATOM 507 N ASN A 34 6.418 11.250 8.999 1.00 0.00 N ATOM 508 CA ASN A 34 7.418 10.459 9.707 1.00 0.00 C ATOM 509 C ASN A 34 8.395 9.816 8.728 1.00 0.00 C ATOM 510 O ASN A 34 8.817 8.674 8.916 1.00 0.00 O ATOM 511 CB ASN A 34 6.738 9.378 10.553 1.00 0.00 C ATOM 512 CG ASN A 34 5.689 8.610 9.776 1.00 0.00 C ATOM 513 OD1 ASN A 34 4.751 9.194 9.230 1.00 0.00 O ATOM 514 ND2 ASN A 34 5.839 7.292 9.721 1.00 0.00 N ATOM 0 H ASN A 34 6.506 11.228 7.983 1.00 0.00 H new ATOM 0 HA ASN A 34 7.976 11.127 10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.492 8.684 10.924 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.274 9.841 11.424 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.163 6.723 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.630 6.849 10.187 1.00 0.00 H new ATOM 612 N PHE A 42 14.983 6.949 -2.674 1.00 0.00 N ATOM 613 CA PHE A 42 15.419 5.560 -2.624 1.00 0.00 C ATOM 614 C PHE A 42 15.666 5.116 -1.186 1.00 0.00 C ATOM 615 O PHE A 42 16.452 5.729 -0.462 1.00 0.00 O ATOM 616 CB PHE A 42 16.693 5.373 -3.452 1.00 0.00 C ATOM 617 CG PHE A 42 16.439 5.266 -4.928 1.00 0.00 C ATOM 618 CD1 PHE A 42 15.617 4.271 -5.432 1.00 0.00 C ATOM 619 CD2 PHE A 42 17.023 6.159 -5.812 1.00 0.00 C ATOM 620 CE1 PHE A 42 15.381 4.169 -6.790 1.00 0.00 C ATOM 621 CE2 PHE A 42 16.791 6.062 -7.171 1.00 0.00 C ATOM 622 CZ PHE A 42 15.968 5.065 -7.660 1.00 0.00 C ATOM 0 HA PHE A 42 14.625 4.943 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.363 6.212 -3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.208 4.474 -3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.155 3.567 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 42 17.667 6.940 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.738 3.389 -7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.252 6.764 -7.850 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.785 4.987 -8.721 1.00 0.00 H new ATOM 632 N VAL A 43 14.989 4.049 -0.778 1.00 0.00 N ATOM 633 CA VAL A 43 15.134 3.521 0.574 1.00 0.00 C ATOM 634 C VAL A 43 15.384 2.017 0.548 1.00 0.00 C ATOM 635 O VAL A 43 14.894 1.311 -0.332 1.00 0.00 O ATOM 636 CB VAL A 43 13.883 3.813 1.429 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.651 3.167 0.815 1.00 0.00 C ATOM 638 CG2 VAL A 43 14.089 3.337 2.860 1.00 0.00 C ATOM 0 H VAL A 43 14.334 3.532 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 43 15.992 4.021 1.022 1.00 0.00 H new ATOM 0 HB VAL A 43 13.725 4.891 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.780 3.385 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.493 3.564 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.796 2.088 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.196 3.552 3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.276 2.263 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.943 3.855 3.296 1.00 0.00 H new ATOM 648 N SER A 44 16.151 1.533 1.519 1.00 0.00 N ATOM 649 CA SER A 44 16.466 0.114 1.606 1.00 0.00 C ATOM 650 C SER A 44 15.467 -0.612 2.503 1.00 0.00 C ATOM 651 O SER A 44 14.788 0.007 3.321 1.00 0.00 O ATOM 652 CB SER A 44 17.886 -0.084 2.139 1.00 0.00 C ATOM 653 OG SER A 44 18.095 0.661 3.326 1.00 0.00 O ATOM 0 H SER A 44 16.565 2.103 2.256 1.00 0.00 H new ATOM 0 HA SER A 44 16.400 -0.309 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.060 -1.142 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.608 0.223 1.382 1.00 0.00 H new ATOM 0 HG SER A 44 19.010 0.516 3.647 1.00 0.00 H new ATOM 659 N VAL A 45 15.385 -1.928 2.342 1.00 0.00 N ATOM 660 CA VAL A 45 14.474 -2.743 3.134 1.00 0.00 C ATOM 661 C VAL A 45 14.818 -2.654 4.617 1.00 0.00 C ATOM 662 O VAL A 45 13.938 -2.723 5.476 1.00 0.00 O ATOM 663 CB VAL A 45 14.519 -4.220 2.695 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.503 -5.046 3.469 1.00 0.00 C ATOM 665 CG2 VAL A 45 14.282 -4.345 1.198 1.00 0.00 C ATOM 0 H VAL A 45 15.941 -2.454 1.667 1.00 0.00 H new ATOM 0 HA VAL A 45 13.469 -2.355 2.970 1.00 0.00 H new ATOM 0 HB VAL A 45 15.513 -4.608 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.553 -6.085 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.725 -4.990 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.502 -4.656 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.318 -5.396 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.304 -3.934 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.054 -3.795 0.660 1.00 0.00 H new ATOM 675 N GLU A 46 16.105 -2.503 4.908 1.00 0.00 N ATOM 676 CA GLU A 46 16.575 -2.407 6.285 1.00 0.00 C ATOM 677 C GLU A 46 16.076 -1.122 6.941 1.00 0.00 C ATOM 678 O GLU A 46 15.397 -1.160 7.967 1.00 0.00 O ATOM 679 CB GLU A 46 18.102 -2.458 6.328 1.00 0.00 C ATOM 680 CG GLU A 46 18.705 -3.469 5.364 1.00 0.00 C ATOM 681 CD GLU A 46 20.161 -3.768 5.666 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.556 -3.659 6.846 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.904 -4.110 4.723 1.00 0.00 O ATOM 0 H GLU A 46 16.843 -2.444 4.207 1.00 0.00 H new ATOM 0 HA GLU A 46 16.175 -3.255 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.497 -1.469 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.421 -2.700 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.131 -4.395 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.620 -3.090 4.346 1.00 0.00 H new ATOM 690 N GLU A 47 16.416 0.014 6.339 1.00 0.00 N ATOM 691 CA GLU A 47 16.001 1.310 6.863 1.00 0.00 C ATOM 692 C GLU A 47 14.479 1.407 6.928 1.00 0.00 C ATOM 693 O GLU A 47 13.926 2.083 7.795 1.00 0.00 O ATOM 694 CB GLU A 47 16.558 2.438 5.992 1.00 0.00 C ATOM 695 CG GLU A 47 16.677 3.766 6.721 1.00 0.00 C ATOM 696 CD GLU A 47 17.951 4.510 6.370 1.00 0.00 C ATOM 697 OE1 GLU A 47 19.047 3.971 6.639 1.00 0.00 O ATOM 698 OE2 GLU A 47 17.855 5.631 5.827 1.00 0.00 O ATOM 0 H GLU A 47 16.977 0.063 5.489 1.00 0.00 H new ATOM 0 HA GLU A 47 16.398 1.410 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.541 2.148 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.913 2.567 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.817 4.389 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.647 3.590 7.796 1.00 0.00 H new ATOM 705 N PHE A 48 13.811 0.724 6.005 1.00 0.00 N ATOM 706 CA PHE A 48 12.354 0.728 5.952 1.00 0.00 C ATOM 707 C PHE A 48 11.760 0.095 7.208 1.00 0.00 C ATOM 708 O PHE A 48 10.768 0.580 7.749 1.00 0.00 O ATOM 709 CB PHE A 48 11.871 -0.022 4.709 1.00 0.00 C ATOM 710 CG PHE A 48 10.938 0.778 3.847 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.871 1.463 4.406 1.00 0.00 C ATOM 712 CD2 PHE A 48 11.127 0.842 2.476 1.00 0.00 C ATOM 713 CE1 PHE A 48 9.010 2.198 3.614 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.269 1.576 1.678 1.00 0.00 C ATOM 715 CZ PHE A 48 9.210 2.255 2.248 1.00 0.00 C ATOM 0 H PHE A 48 14.257 0.159 5.282 1.00 0.00 H new ATOM 0 HA PHE A 48 12.018 1.764 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.736 -0.319 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.369 -0.938 5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.711 1.422 5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.954 0.313 2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.182 2.727 4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.427 1.618 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.539 2.830 1.627 1.00 0.00 H new ATOM 725 N ARG A 49 12.376 -0.992 7.664 1.00 0.00 N ATOM 726 CA ARG A 49 11.908 -1.692 8.855 1.00 0.00 C ATOM 727 C ARG A 49 11.901 -0.764 10.065 1.00 0.00 C ATOM 728 O ARG A 49 10.896 -0.647 10.765 1.00 0.00 O ATOM 729 CB ARG A 49 12.789 -2.911 9.139 1.00 0.00 C ATOM 730 CG ARG A 49 13.126 -3.722 7.897 1.00 0.00 C ATOM 731 CD ARG A 49 13.046 -5.216 8.166 1.00 0.00 C ATOM 732 NE ARG A 49 14.026 -5.646 9.161 1.00 0.00 N ATOM 733 CZ ARG A 49 13.957 -6.800 9.820 1.00 0.00 C ATOM 734 NH1 ARG A 49 12.957 -7.643 9.592 1.00 0.00 N ATOM 735 NH2 ARG A 49 14.889 -7.114 10.709 1.00 0.00 N ATOM 0 H ARG A 49 13.199 -1.406 7.227 1.00 0.00 H new ATOM 0 HA ARG A 49 10.887 -2.026 8.669 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.715 -2.578 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.282 -3.556 9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.439 -3.459 7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.129 -3.466 7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.044 -5.469 8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.210 -5.761 7.236 1.00 0.00 H new ATOM 0 HE ARG A 49 14.809 -5.025 9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.237 -7.407 8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.909 -8.526 10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.660 -6.471 10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.835 -7.999 11.214 1.00 0.00 H new ATOM 749 N GLY A 50 13.030 -0.106 10.307 1.00 0.00 N ATOM 750 CA GLY A 50 13.133 0.806 11.433 1.00 0.00 C ATOM 751 C GLY A 50 12.062 1.879 11.410 1.00 0.00 C ATOM 752 O GLY A 50 11.694 2.419 12.454 1.00 0.00 O ATOM 0 H GLY A 50 13.876 -0.188 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.057 0.241 12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.116 1.278 11.426 1.00 0.00 H new ATOM 756 N ILE A 51 11.560 2.185 10.219 1.00 0.00 N ATOM 757 CA ILE A 51 10.525 3.198 10.063 1.00 0.00 C ATOM 758 C ILE A 51 9.141 2.613 10.328 1.00 0.00 C ATOM 759 O ILE A 51 8.331 3.204 11.040 1.00 0.00 O ATOM 760 CB ILE A 51 10.550 3.815 8.650 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.960 4.300 8.307 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.553 4.960 8.551 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.256 4.293 6.823 1.00 0.00 C ATOM 0 H ILE A 51 11.854 1.745 9.347 1.00 0.00 H new ATOM 0 HA ILE A 51 10.733 3.979 10.794 1.00 0.00 H new ATOM 0 HB ILE A 51 10.263 3.047 7.931 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.091 5.312 8.691 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.687 3.669 8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.584 5.384 7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.550 4.587 8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.810 5.730 9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.272 4.649 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.157 3.278 6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.552 4.947 6.308 1.00 0.00 H new ATOM 775 N ILE A 52 8.878 1.446 9.747 1.00 0.00 N ATOM 776 CA ILE A 52 7.593 0.779 9.918 1.00 0.00 C ATOM 777 C ILE A 52 7.417 0.282 11.351 1.00 0.00 C ATOM 778 O ILE A 52 6.295 0.179 11.847 1.00 0.00 O ATOM 779 CB ILE A 52 7.444 -0.410 8.948 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.618 0.059 7.502 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.091 -1.084 9.134 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.501 0.961 7.021 1.00 0.00 C ATOM 0 H ILE A 52 9.538 0.943 9.154 1.00 0.00 H new ATOM 0 HA ILE A 52 6.821 1.516 9.697 1.00 0.00 H new ATOM 0 HB ILE A 52 8.223 -1.140 9.171 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.566 0.589 7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.677 -0.813 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.003 -1.921 8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.004 -1.449 10.157 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.296 -0.365 8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.690 1.255 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.552 0.428 7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.456 1.851 7.649 1.00 0.00 H new ATOM 794 N ARG A 53 8.530 -0.028 12.009 1.00 0.00 N ATOM 795 CA ARG A 53 8.494 -0.519 13.384 1.00 0.00 C ATOM 796 C ARG A 53 7.640 0.387 14.268 1.00 0.00 C ATOM 797 O ARG A 53 6.654 -0.054 14.857 1.00 0.00 O ATOM 798 CB ARG A 53 9.912 -0.612 13.950 1.00 0.00 C ATOM 799 CG ARG A 53 10.061 -1.647 15.053 1.00 0.00 C ATOM 800 CD ARG A 53 10.047 -1.002 16.429 1.00 0.00 C ATOM 801 NE ARG A 53 8.688 -0.749 16.903 1.00 0.00 N ATOM 802 CZ ARG A 53 8.405 -0.157 18.061 1.00 0.00 C ATOM 803 NH1 ARG A 53 9.381 0.242 18.867 1.00 0.00 N ATOM 804 NH2 ARG A 53 7.141 0.035 18.414 1.00 0.00 N ATOM 0 H ARG A 53 9.467 0.052 11.614 1.00 0.00 H new ATOM 0 HA ARG A 53 8.045 -1.512 13.375 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.602 -0.853 13.141 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.204 0.364 14.337 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.252 -2.374 14.983 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.994 -2.194 14.916 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.563 -1.650 17.138 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.599 -0.063 16.394 1.00 0.00 H new ATOM 0 HE ARG A 53 7.911 -1.043 16.312 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.355 0.096 18.600 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.158 0.695 19.753 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.387 -0.271 17.798 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.922 0.489 19.301 1.00 0.00 H new ATOM 818 N ASP A 54 8.025 1.655 14.352 1.00 0.00 N ATOM 819 CA ASP A 54 7.296 2.624 15.161 1.00 0.00 C ATOM 820 C ASP A 54 6.606 3.669 14.285 1.00 0.00 C ATOM 821 O ASP A 54 6.178 4.714 14.775 1.00 0.00 O ATOM 822 CB ASP A 54 8.245 3.316 16.143 1.00 0.00 C ATOM 823 CG ASP A 54 7.528 3.836 17.373 1.00 0.00 C ATOM 824 OD1 ASP A 54 6.528 3.211 17.783 1.00 0.00 O ATOM 825 OD2 ASP A 54 7.967 4.866 17.925 1.00 0.00 O ATOM 0 H ASP A 54 8.839 2.036 13.869 1.00 0.00 H new ATOM 0 HA ASP A 54 6.530 2.084 15.719 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.022 2.615 16.448 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.743 4.144 15.639 1.00 0.00 H new ATOM 830 N GLY A 55 6.500 3.385 12.989 1.00 0.00 N ATOM 831 CA GLY A 55 5.861 4.318 12.079 1.00 0.00 C ATOM 832 C GLY A 55 4.415 3.963 11.796 1.00 0.00 C ATOM 833 O GLY A 55 3.504 4.466 12.454 1.00 0.00 O ATOM 0 H GLY A 55 6.844 2.528 12.555 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.908 5.321 12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.415 4.341 11.141 1.00 0.00 H new ATOM 837 N LEU A 56 4.204 3.096 10.809 1.00 0.00 N ATOM 838 CA LEU A 56 2.858 2.677 10.435 1.00 0.00 C ATOM 839 C LEU A 56 2.576 1.254 10.909 1.00 0.00 C ATOM 840 O LEU A 56 3.466 0.404 10.910 1.00 0.00 O ATOM 841 CB LEU A 56 2.679 2.765 8.919 1.00 0.00 C ATOM 842 CG LEU A 56 3.154 4.074 8.285 1.00 0.00 C ATOM 843 CD1 LEU A 56 3.503 3.862 6.819 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.090 5.153 8.432 1.00 0.00 C ATOM 0 H LEU A 56 4.947 2.671 10.255 1.00 0.00 H new ATOM 0 HA LEU A 56 2.149 3.348 10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.218 1.938 8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.623 2.628 8.685 1.00 0.00 H new ATOM 0 HG LEU A 56 4.053 4.404 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.839 4.804 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.298 3.121 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.622 3.509 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.444 6.078 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.174 4.831 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.889 5.324 9.490 1.00 0.00 H new ATOM 856 N PRO A 57 1.325 0.973 11.314 1.00 0.00 N ATOM 857 CA PRO A 57 0.929 -0.355 11.787 1.00 0.00 C ATOM 858 C PRO A 57 0.745 -1.342 10.644 1.00 0.00 C ATOM 859 O PRO A 57 -0.137 -1.175 9.800 1.00 0.00 O ATOM 860 CB PRO A 57 -0.399 -0.092 12.491 1.00 0.00 C ATOM 861 CG PRO A 57 -0.974 1.083 11.778 1.00 0.00 C ATOM 862 CD PRO A 57 0.197 1.926 11.344 1.00 0.00 C ATOM 0 HA PRO A 57 1.685 -0.806 12.430 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.060 -0.957 12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.252 0.120 13.550 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.565 0.766 10.919 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.639 1.648 12.431 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.026 2.375 10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.382 2.743 12.041 1.00 0.00 H new ATOM 870 N MET A 58 1.582 -2.371 10.624 1.00 0.00 N ATOM 871 CA MET A 58 1.517 -3.388 9.587 1.00 0.00 C ATOM 872 C MET A 58 2.077 -4.712 10.094 1.00 0.00 C ATOM 873 O MET A 58 3.100 -4.743 10.780 1.00 0.00 O ATOM 874 CB MET A 58 2.291 -2.929 8.348 1.00 0.00 C ATOM 875 CG MET A 58 1.439 -2.844 7.092 1.00 0.00 C ATOM 876 SD MET A 58 2.263 -1.960 5.751 1.00 0.00 S ATOM 877 CE MET A 58 2.857 -3.325 4.753 1.00 0.00 C ATOM 0 H MET A 58 2.315 -2.522 11.317 1.00 0.00 H new ATOM 0 HA MET A 58 0.471 -3.537 9.317 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.729 -1.951 8.546 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.117 -3.618 8.170 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.189 -3.851 6.758 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.500 -2.344 7.328 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.507 -2.944 3.965 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.416 -4.019 5.381 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.010 -3.844 4.305 1.00 0.00 H new ATOM 887 N THR A 59 1.406 -5.803 9.746 1.00 0.00 N ATOM 888 CA THR A 59 1.842 -7.133 10.159 1.00 0.00 C ATOM 889 C THR A 59 3.038 -7.590 9.327 1.00 0.00 C ATOM 890 O THR A 59 3.147 -7.257 8.148 1.00 0.00 O ATOM 891 CB THR A 59 0.695 -8.137 10.019 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.283 -7.657 9.114 1.00 0.00 O ATOM 893 CG2 THR A 59 0.002 -8.439 11.329 1.00 0.00 C ATOM 0 H THR A 59 0.558 -5.794 9.179 1.00 0.00 H new ATOM 0 HA THR A 59 2.143 -7.083 11.205 1.00 0.00 H new ATOM 0 HB THR A 59 1.156 -9.054 9.652 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.479 -8.348 8.447 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.800 -9.157 11.159 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.721 -8.858 12.033 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.415 -7.520 11.740 1.00 0.00 H new ATOM 901 N GLU A 60 3.928 -8.363 9.949 1.00 0.00 N ATOM 902 CA GLU A 60 5.122 -8.877 9.270 1.00 0.00 C ATOM 903 C GLU A 60 4.801 -9.276 7.839 1.00 0.00 C ATOM 904 O GLU A 60 5.460 -8.850 6.898 1.00 0.00 O ATOM 905 CB GLU A 60 5.677 -10.087 10.019 1.00 0.00 C ATOM 906 CG GLU A 60 4.608 -11.062 10.488 1.00 0.00 C ATOM 907 CD GLU A 60 5.113 -12.010 11.559 1.00 0.00 C ATOM 908 OE1 GLU A 60 6.329 -12.296 11.574 1.00 0.00 O ATOM 909 OE2 GLU A 60 4.294 -12.465 12.385 1.00 0.00 O ATOM 0 H GLU A 60 3.846 -8.649 10.925 1.00 0.00 H new ATOM 0 HA GLU A 60 5.869 -8.083 9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.377 -10.614 9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.243 -9.739 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.756 -10.503 10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.249 -11.640 9.636 1.00 0.00 H new ATOM 916 N ALA A 61 3.775 -10.094 7.695 1.00 0.00 N ATOM 917 CA ALA A 61 3.336 -10.563 6.391 1.00 0.00 C ATOM 918 C ALA A 61 3.239 -9.411 5.398 1.00 0.00 C ATOM 919 O ALA A 61 3.827 -9.460 4.324 1.00 0.00 O ATOM 920 CB ALA A 61 1.998 -11.267 6.517 1.00 0.00 C ATOM 0 H ALA A 61 3.223 -10.452 8.475 1.00 0.00 H new ATOM 0 HA ALA A 61 4.076 -11.269 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.676 -11.615 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.097 -12.119 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.258 -10.573 6.916 1.00 0.00 H new ATOM 926 N GLU A 62 2.506 -8.366 5.769 1.00 0.00 N ATOM 927 CA GLU A 62 2.359 -7.202 4.895 1.00 0.00 C ATOM 928 C GLU A 62 3.729 -6.658 4.517 1.00 0.00 C ATOM 929 O GLU A 62 4.097 -6.633 3.345 1.00 0.00 O ATOM 930 CB GLU A 62 1.538 -6.089 5.563 1.00 0.00 C ATOM 931 CG GLU A 62 0.599 -6.567 6.658 1.00 0.00 C ATOM 932 CD GLU A 62 -0.276 -7.725 6.216 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.044 -7.552 5.247 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.193 -8.803 6.841 1.00 0.00 O ATOM 0 H GLU A 62 2.009 -8.298 6.657 1.00 0.00 H new ATOM 0 HA GLU A 62 1.827 -7.529 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.223 -5.354 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.953 -5.578 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.184 -6.870 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.035 -5.739 6.975 1.00 0.00 H new ATOM 941 N ILE A 63 4.478 -6.230 5.526 1.00 0.00 N ATOM 942 CA ILE A 63 5.819 -5.685 5.310 1.00 0.00 C ATOM 943 C ILE A 63 6.725 -6.706 4.635 1.00 0.00 C ATOM 944 O ILE A 63 7.217 -6.481 3.534 1.00 0.00 O ATOM 945 CB ILE A 63 6.484 -5.248 6.631 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.475 -4.554 7.541 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.663 -4.332 6.351 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.999 -5.438 8.665 1.00 0.00 C ATOM 0 H ILE A 63 4.183 -6.248 6.502 1.00 0.00 H new ATOM 0 HA ILE A 63 5.693 -4.814 4.667 1.00 0.00 H new ATOM 0 HB ILE A 63 6.848 -6.139 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.928 -3.655 7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.618 -4.234 6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.122 -4.032 7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.397 -4.859 5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.317 -3.447 5.818 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.283 -4.892 9.279 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.520 -6.325 8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.849 -5.737 9.278 1.00 0.00 H new ATOM 960 N THR A 64 6.940 -7.825 5.314 1.00 0.00 N ATOM 961 CA THR A 64 7.788 -8.896 4.801 1.00 0.00 C ATOM 962 C THR A 64 7.385 -9.295 3.388 1.00 0.00 C ATOM 963 O THR A 64 8.220 -9.345 2.485 1.00 0.00 O ATOM 964 CB THR A 64 7.696 -10.111 5.717 1.00 0.00 C ATOM 965 OG1 THR A 64 8.193 -9.809 7.009 1.00 0.00 O ATOM 966 CG2 THR A 64 8.449 -11.315 5.200 1.00 0.00 C ATOM 0 H THR A 64 6.535 -8.017 6.230 1.00 0.00 H new ATOM 0 HA THR A 64 8.814 -8.528 4.773 1.00 0.00 H new ATOM 0 HB THR A 64 6.635 -10.360 5.753 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.508 -9.329 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.340 -12.142 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.046 -11.607 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.505 -11.066 5.094 1.00 0.00 H new ATOM 974 N GLU A 65 6.099 -9.579 3.200 1.00 0.00 N ATOM 975 CA GLU A 65 5.603 -9.970 1.885 1.00 0.00 C ATOM 976 C GLU A 65 5.737 -8.824 0.909 1.00 0.00 C ATOM 977 O GLU A 65 5.666 -9.000 -0.307 1.00 0.00 O ATOM 978 CB GLU A 65 4.150 -10.430 1.957 1.00 0.00 C ATOM 979 CG GLU A 65 3.677 -11.155 0.708 1.00 0.00 C ATOM 980 CD GLU A 65 3.606 -12.657 0.900 1.00 0.00 C ATOM 981 OE1 GLU A 65 2.797 -13.113 1.734 1.00 0.00 O ATOM 982 OE2 GLU A 65 4.363 -13.380 0.216 1.00 0.00 O ATOM 0 H GLU A 65 5.389 -9.546 3.932 1.00 0.00 H new ATOM 0 HA GLU A 65 6.208 -10.807 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.029 -11.089 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.512 -9.563 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.693 -10.781 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.352 -10.929 -0.117 1.00 0.00 H new ATOM 989 N PHE A 66 5.952 -7.657 1.466 1.00 0.00 N ATOM 990 CA PHE A 66 6.123 -6.453 0.681 1.00 0.00 C ATOM 991 C PHE A 66 7.606 -6.158 0.475 1.00 0.00 C ATOM 992 O PHE A 66 7.991 -5.513 -0.500 1.00 0.00 O ATOM 993 CB PHE A 66 5.440 -5.260 1.359 1.00 0.00 C ATOM 994 CG PHE A 66 3.972 -5.143 1.046 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.205 -6.271 0.798 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.360 -3.900 1.003 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.858 -6.161 0.511 1.00 0.00 C ATOM 998 CE2 PHE A 66 2.012 -3.784 0.717 1.00 0.00 C ATOM 999 CZ PHE A 66 1.260 -4.917 0.471 1.00 0.00 C ATOM 0 H PHE A 66 6.014 -7.512 2.474 1.00 0.00 H new ATOM 0 HA PHE A 66 5.656 -6.613 -0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.566 -5.346 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.942 -4.343 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.666 -7.247 0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.943 -3.011 1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.273 -7.048 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.548 -2.809 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.207 -4.830 0.248 1.00 0.00 H new ATOM 1009 N PHE A 67 8.434 -6.637 1.401 1.00 0.00 N ATOM 1010 CA PHE A 67 9.875 -6.427 1.324 1.00 0.00 C ATOM 1011 C PHE A 67 10.497 -7.332 0.266 1.00 0.00 C ATOM 1012 O PHE A 67 11.505 -6.982 -0.350 1.00 0.00 O ATOM 1013 CB PHE A 67 10.523 -6.692 2.685 1.00 0.00 C ATOM 1014 CG PHE A 67 10.552 -5.500 3.608 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.626 -4.205 3.110 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.513 -5.683 4.981 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.656 -3.121 3.968 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.544 -4.601 5.840 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.615 -3.319 5.334 1.00 0.00 C ATOM 0 H PHE A 67 8.130 -7.173 2.213 1.00 0.00 H new ATOM 0 HA PHE A 67 10.054 -5.390 1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.986 -7.503 3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.545 -7.037 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.660 -4.044 2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.458 -6.683 5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.712 -2.119 3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.513 -4.759 6.908 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.638 -2.473 6.005 1.00 0.00 H new ATOM 1029 N GLU A 68 9.891 -8.497 0.059 1.00 0.00 N ATOM 1030 CA GLU A 68 10.387 -9.451 -0.925 1.00 0.00 C ATOM 1031 C GLU A 68 9.695 -9.254 -2.271 1.00 0.00 C ATOM 1032 O GLU A 68 10.268 -9.543 -3.322 1.00 0.00 O ATOM 1033 CB GLU A 68 10.168 -10.883 -0.432 1.00 0.00 C ATOM 1034 CG GLU A 68 10.587 -11.099 1.014 1.00 0.00 C ATOM 1035 CD GLU A 68 12.089 -11.246 1.169 1.00 0.00 C ATOM 1036 OE1 GLU A 68 12.795 -10.218 1.103 1.00 0.00 O ATOM 1037 OE2 GLU A 68 12.557 -12.388 1.358 1.00 0.00 O ATOM 0 H GLU A 68 9.056 -8.802 0.559 1.00 0.00 H new ATOM 0 HA GLU A 68 11.455 -9.277 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.114 -11.138 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.727 -11.568 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.243 -10.259 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.096 -11.992 1.401 1.00 0.00 H new ATOM 1044 N ALA A 69 8.461 -8.761 -2.232 1.00 0.00 N ATOM 1045 CA ALA A 69 7.692 -8.527 -3.452 1.00 0.00 C ATOM 1046 C ALA A 69 8.103 -7.236 -4.136 1.00 0.00 C ATOM 1047 O ALA A 69 7.719 -6.962 -5.274 1.00 0.00 O ATOM 1048 CB ALA A 69 6.212 -8.500 -3.135 1.00 0.00 C ATOM 0 H ALA A 69 7.972 -8.516 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 69 7.901 -9.347 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.647 -8.325 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.915 -9.455 -2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.007 -7.700 -2.424 1.00 0.00 H new ATOM 1054 N ALA A 70 8.883 -6.460 -3.428 1.00 0.00 N ATOM 1055 CA ALA A 70 9.374 -5.182 -3.930 1.00 0.00 C ATOM 1056 C ALA A 70 10.723 -5.346 -4.619 1.00 0.00 C ATOM 1057 O ALA A 70 11.029 -4.644 -5.584 1.00 0.00 O ATOM 1058 CB ALA A 70 9.479 -4.174 -2.795 1.00 0.00 C ATOM 0 H ALA A 70 9.201 -6.687 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 70 8.661 -4.811 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.847 -3.225 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.496 -4.026 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.169 -4.548 -2.039 1.00 0.00 H new ATOM 1064 N ASP A 71 11.527 -6.278 -4.119 1.00 0.00 N ATOM 1065 CA ASP A 71 12.845 -6.537 -4.686 1.00 0.00 C ATOM 1066 C ASP A 71 12.954 -7.981 -5.174 1.00 0.00 C ATOM 1067 O ASP A 71 12.862 -8.917 -4.379 1.00 0.00 O ATOM 1068 CB ASP A 71 13.932 -6.253 -3.647 1.00 0.00 C ATOM 1069 CG ASP A 71 15.247 -5.842 -4.282 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.215 -5.076 -5.267 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.306 -6.288 -3.794 1.00 0.00 O ATOM 0 H ASP A 71 11.289 -6.867 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 71 12.985 -5.874 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.593 -5.463 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.089 -7.143 -3.037 1.00 0.00 H new ATOM 1076 N PRO A 72 13.154 -8.186 -6.490 1.00 0.00 N ATOM 1077 CA PRO A 72 13.274 -9.530 -7.066 1.00 0.00 C ATOM 1078 C PRO A 72 14.521 -10.257 -6.576 1.00 0.00 C ATOM 1079 O PRO A 72 14.544 -11.486 -6.491 1.00 0.00 O ATOM 1080 CB PRO A 72 13.363 -9.272 -8.573 1.00 0.00 C ATOM 1081 CG PRO A 72 13.848 -7.869 -8.694 1.00 0.00 C ATOM 1082 CD PRO A 72 13.279 -7.134 -7.514 1.00 0.00 C ATOM 0 HA PRO A 72 12.438 -10.169 -6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.049 -9.970 -9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.393 -9.397 -9.053 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.937 -7.831 -8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.517 -7.420 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.937 -6.329 -7.186 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.315 -6.683 -7.748 1.00 0.00 H new ATOM 1090 N ASN A 73 15.557 -9.490 -6.251 1.00 0.00 N ATOM 1091 CA ASN A 73 16.810 -10.060 -5.768 1.00 0.00 C ATOM 1092 C ASN A 73 16.735 -10.336 -4.270 1.00 0.00 C ATOM 1093 O ASN A 73 17.355 -11.275 -3.770 1.00 0.00 O ATOM 1094 CB ASN A 73 17.972 -9.113 -6.067 1.00 0.00 C ATOM 1095 CG ASN A 73 17.989 -8.654 -7.512 1.00 0.00 C ATOM 1096 OD1 ASN A 73 17.940 -9.467 -8.435 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.058 -7.343 -7.714 1.00 0.00 N ATOM 0 H ASN A 73 15.554 -8.472 -6.313 1.00 0.00 H new ATOM 0 HA ASN A 73 16.978 -11.004 -6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 73 17.905 -8.243 -5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 73 18.913 -9.613 -5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.072 -6.974 -8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 73 18.097 -6.706 -6.918 1.00 0.00 H new ATOM 1104 N ASN A 74 15.978 -9.505 -3.560 1.00 0.00 N ATOM 1105 CA ASN A 74 15.824 -9.646 -2.117 1.00 0.00 C ATOM 1106 C ASN A 74 17.109 -9.242 -1.412 1.00 0.00 C ATOM 1107 O ASN A 74 17.526 -9.875 -0.442 1.00 0.00 O ATOM 1108 CB ASN A 74 15.446 -11.078 -1.738 1.00 0.00 C ATOM 1109 CG ASN A 74 14.343 -11.637 -2.615 1.00 0.00 C ATOM 1110 OD1 ASN A 74 13.226 -11.118 -2.635 1.00 0.00 O ATOM 1111 ND2 ASN A 74 14.648 -12.703 -3.346 1.00 0.00 N ATOM 0 H ASN A 74 15.460 -8.724 -3.963 1.00 0.00 H new ATOM 0 HA ASN A 74 15.017 -8.987 -1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.326 -11.716 -1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.126 -11.103 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.945 -13.123 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.586 -13.102 -3.300 1.00 0.00 H new ATOM 1118 N THR A 75 17.730 -8.182 -1.912 1.00 0.00 N ATOM 1119 CA THR A 75 18.969 -7.684 -1.337 1.00 0.00 C ATOM 1120 C THR A 75 18.684 -6.645 -0.257 1.00 0.00 C ATOM 1121 O THR A 75 19.380 -5.636 -0.150 1.00 0.00 O ATOM 1122 CB THR A 75 19.858 -7.087 -2.431 1.00 0.00 C ATOM 1123 OG1 THR A 75 20.926 -6.347 -1.869 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.112 -6.173 -3.379 1.00 0.00 C ATOM 0 H THR A 75 17.394 -7.651 -2.716 1.00 0.00 H new ATOM 0 HA THR A 75 19.495 -8.520 -0.876 1.00 0.00 H new ATOM 0 HB THR A 75 20.229 -7.943 -2.995 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.566 -5.629 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.802 -5.785 -4.129 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.317 -6.731 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.680 -5.343 -2.820 1.00 0.00 H new ATOM 1132 N GLY A 76 17.646 -6.898 0.542 1.00 0.00 N ATOM 1133 CA GLY A 76 17.276 -5.977 1.600 1.00 0.00 C ATOM 1134 C GLY A 76 17.240 -4.537 1.128 1.00 0.00 C ATOM 1135 O GLY A 76 17.469 -3.612 1.906 1.00 0.00 O ATOM 0 H GLY A 76 17.056 -7.727 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.297 -6.252 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.985 -6.069 2.422 1.00 0.00 H new ATOM 1139 N PHE A 77 16.953 -4.356 -0.155 1.00 0.00 N ATOM 1140 CA PHE A 77 16.886 -3.029 -0.745 1.00 0.00 C ATOM 1141 C PHE A 77 15.614 -2.878 -1.577 1.00 0.00 C ATOM 1142 O PHE A 77 15.311 -3.719 -2.425 1.00 0.00 O ATOM 1143 CB PHE A 77 18.138 -2.777 -1.600 1.00 0.00 C ATOM 1144 CG PHE A 77 17.905 -1.912 -2.806 1.00 0.00 C ATOM 1145 CD1 PHE A 77 17.695 -0.550 -2.670 1.00 0.00 C ATOM 1146 CD2 PHE A 77 17.896 -2.465 -4.076 1.00 0.00 C ATOM 1147 CE1 PHE A 77 17.483 0.247 -3.778 1.00 0.00 C ATOM 1148 CE2 PHE A 77 17.683 -1.674 -5.189 1.00 0.00 C ATOM 1149 CZ PHE A 77 17.475 -0.316 -5.039 1.00 0.00 C ATOM 0 H PHE A 77 16.762 -5.116 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 77 16.854 -2.285 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.901 -2.311 -0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 77 18.537 -3.737 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.697 -0.106 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 77 18.057 -3.526 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.324 1.308 -3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.679 -2.116 -6.174 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.306 0.304 -5.907 1.00 0.00 H new ATOM 1159 N ILE A 78 14.870 -1.806 -1.324 1.00 0.00 N ATOM 1160 CA ILE A 78 13.630 -1.550 -2.046 1.00 0.00 C ATOM 1161 C ILE A 78 13.810 -0.474 -3.103 1.00 0.00 C ATOM 1162 O ILE A 78 14.577 0.473 -2.923 1.00 0.00 O ATOM 1163 CB ILE A 78 12.498 -1.084 -1.099 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.151 -2.160 -0.082 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.248 -0.703 -1.886 1.00 0.00 C ATOM 1166 CD1 ILE A 78 11.050 -1.735 0.862 1.00 0.00 C ATOM 0 H ILE A 78 15.104 -1.101 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 78 13.360 -2.497 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 78 12.864 -0.205 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.845 -3.065 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.042 -2.411 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.468 -0.379 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.484 0.109 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.897 -1.566 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.843 -2.541 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.363 -0.846 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.148 -1.511 0.292 1.00 0.00 H new ATOM 1178 N ASP A 79 13.048 -0.597 -4.177 1.00 0.00 N ATOM 1179 CA ASP A 79 13.061 0.393 -5.234 1.00 0.00 C ATOM 1180 C ASP A 79 11.907 1.350 -4.986 1.00 0.00 C ATOM 1181 O ASP A 79 10.766 1.055 -5.337 1.00 0.00 O ATOM 1182 CB ASP A 79 12.921 -0.273 -6.606 1.00 0.00 C ATOM 1183 CG ASP A 79 13.845 0.337 -7.642 1.00 0.00 C ATOM 1184 OD1 ASP A 79 15.061 0.434 -7.370 1.00 0.00 O ATOM 1185 OD2 ASP A 79 13.353 0.718 -8.725 1.00 0.00 O ATOM 0 H ASP A 79 12.411 -1.377 -4.338 1.00 0.00 H new ATOM 0 HA ASP A 79 14.009 0.932 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.136 -1.338 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.889 -0.184 -6.946 1.00 0.00 H new ATOM 1190 N TYR A 80 12.207 2.475 -4.334 1.00 0.00 N ATOM 1191 CA TYR A 80 11.195 3.475 -3.982 1.00 0.00 C ATOM 1192 C TYR A 80 10.024 3.482 -4.961 1.00 0.00 C ATOM 1193 O TYR A 80 8.868 3.575 -4.555 1.00 0.00 O ATOM 1194 CB TYR A 80 11.823 4.867 -3.921 1.00 0.00 C ATOM 1195 CG TYR A 80 10.865 5.944 -3.465 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.033 6.588 -4.371 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.794 6.316 -2.128 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.157 7.574 -3.959 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.919 7.301 -1.708 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.103 7.926 -2.627 1.00 0.00 C ATOM 1201 OH TYR A 80 8.232 8.907 -2.212 1.00 0.00 O ATOM 0 H TYR A 80 13.152 2.718 -4.036 1.00 0.00 H new ATOM 0 HA TYR A 80 10.805 3.203 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.677 4.842 -3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.206 5.127 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.071 6.314 -5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.432 5.828 -1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.518 8.067 -4.677 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.875 7.579 -0.665 1.00 0.00 H new ATOM 0 HH TYR A 80 8.318 9.033 -1.244 1.00 0.00 H new ATOM 1211 N LYS A 81 10.329 3.380 -6.250 1.00 0.00 N ATOM 1212 CA LYS A 81 9.290 3.368 -7.273 1.00 0.00 C ATOM 1213 C LYS A 81 8.399 2.143 -7.118 1.00 0.00 C ATOM 1214 O LYS A 81 7.182 2.262 -6.978 1.00 0.00 O ATOM 1215 CB LYS A 81 9.912 3.397 -8.671 1.00 0.00 C ATOM 1216 CG LYS A 81 10.390 4.777 -9.095 1.00 0.00 C ATOM 1217 CD LYS A 81 9.223 5.704 -9.389 1.00 0.00 C ATOM 1218 CE LYS A 81 8.564 5.367 -10.716 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.314 5.936 -11.869 1.00 0.00 N ATOM 0 H LYS A 81 11.281 3.305 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 81 8.677 4.260 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.754 2.705 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.179 3.037 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.008 5.207 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.019 4.689 -9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.488 5.630 -8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.573 6.736 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.499 4.284 -10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.544 5.750 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.832 5.684 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.355 6.971 -11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.280 5.551 -11.879 1.00 0.00 H new ATOM 1233 N ALA A 82 9.012 0.961 -7.125 1.00 0.00 N ATOM 1234 CA ALA A 82 8.269 -0.284 -6.967 1.00 0.00 C ATOM 1235 C ALA A 82 7.388 -0.223 -5.726 1.00 0.00 C ATOM 1236 O ALA A 82 6.319 -0.831 -5.673 1.00 0.00 O ATOM 1237 CB ALA A 82 9.224 -1.466 -6.874 1.00 0.00 C ATOM 0 H ALA A 82 10.019 0.841 -7.238 1.00 0.00 H new ATOM 0 HA ALA A 82 7.633 -0.418 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.653 -2.387 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.822 -1.523 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.882 -1.335 -6.015 1.00 0.00 H new ATOM 1243 N PHE A 83 7.851 0.524 -4.729 1.00 0.00 N ATOM 1244 CA PHE A 83 7.120 0.682 -3.483 1.00 0.00 C ATOM 1245 C PHE A 83 6.097 1.809 -3.597 1.00 0.00 C ATOM 1246 O PHE A 83 5.029 1.757 -2.987 1.00 0.00 O ATOM 1247 CB PHE A 83 8.095 0.962 -2.337 1.00 0.00 C ATOM 1248 CG PHE A 83 8.016 -0.053 -1.236 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.283 -1.386 -1.494 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.675 0.323 0.054 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.212 -2.327 -0.488 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.601 -0.616 1.064 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.870 -1.944 0.794 1.00 0.00 C ATOM 0 H PHE A 83 8.735 1.031 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 83 6.585 -0.244 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.111 0.984 -2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.890 1.951 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.550 -1.693 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.465 1.360 0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.424 -3.364 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.333 -0.312 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.813 -2.680 1.583 1.00 0.00 H new ATOM 1263 N ALA A 84 6.433 2.825 -4.386 1.00 0.00 N ATOM 1264 CA ALA A 84 5.547 3.966 -4.586 1.00 0.00 C ATOM 1265 C ALA A 84 4.442 3.638 -5.586 1.00 0.00 C ATOM 1266 O ALA A 84 3.379 4.261 -5.577 1.00 0.00 O ATOM 1267 CB ALA A 84 6.342 5.174 -5.055 1.00 0.00 C ATOM 0 H ALA A 84 7.314 2.881 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 84 5.077 4.200 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.669 6.019 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.090 5.431 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.839 4.940 -5.997 1.00 0.00 H new ATOM 1273 N ALA A 85 4.696 2.659 -6.450 1.00 0.00 N ATOM 1274 CA ALA A 85 3.721 2.252 -7.455 1.00 0.00 C ATOM 1275 C ALA A 85 2.563 1.488 -6.840 1.00 0.00 C ATOM 1276 O ALA A 85 1.541 1.246 -7.482 1.00 0.00 O ATOM 1277 CB ALA A 85 4.390 1.419 -8.531 1.00 0.00 C ATOM 0 H ALA A 85 5.570 2.133 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 85 3.315 3.158 -7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.650 1.122 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.172 2.006 -9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.829 0.529 -8.081 1.00 0.00 H new ATOM 1283 N MET A 86 2.739 1.123 -5.594 1.00 0.00 N ATOM 1284 CA MET A 86 1.727 0.387 -4.847 1.00 0.00 C ATOM 1285 C MET A 86 0.603 1.317 -4.407 1.00 0.00 C ATOM 1286 O MET A 86 -0.556 0.910 -4.312 1.00 0.00 O ATOM 1287 CB MET A 86 2.354 -0.290 -3.625 1.00 0.00 C ATOM 1288 CG MET A 86 1.731 -1.635 -3.290 1.00 0.00 C ATOM 1289 SD MET A 86 2.009 -2.870 -4.572 1.00 0.00 S ATOM 1290 CE MET A 86 3.697 -3.352 -4.220 1.00 0.00 C ATOM 0 H MET A 86 3.585 1.324 -5.061 1.00 0.00 H new ATOM 0 HA MET A 86 1.310 -0.379 -5.501 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.421 -0.427 -3.803 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.257 0.371 -2.764 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.143 -1.997 -2.348 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.659 -1.507 -3.141 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.263 -3.400 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.154 -2.619 -3.555 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.703 -4.331 -3.740 1.00 0.00 H new ATOM 1300 N LEU A 87 0.953 2.571 -4.144 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.026 3.567 -3.720 1.00 0.00 C ATOM 1302 C LEU A 87 -0.553 4.357 -4.898 1.00 0.00 C ATOM 1303 O LEU A 87 -1.470 5.170 -4.778 1.00 0.00 O ATOM 1304 CB LEU A 87 0.598 4.513 -2.709 1.00 0.00 C ATOM 1305 CG LEU A 87 0.873 3.909 -1.332 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.179 4.446 -0.763 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.282 4.195 -0.385 1.00 0.00 C ATOM 0 H LEU A 87 1.908 2.923 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.862 3.040 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.537 4.887 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.061 5.372 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 87 0.967 2.829 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.357 4.005 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.000 4.189 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.116 5.530 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.069 3.758 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.408 5.273 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.197 3.760 -0.786 1.00 0.00 H new ATOM 1319 N TYR A 88 0.047 4.096 -6.024 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.315 4.753 -7.276 1.00 0.00 C ATOM 1321 C TYR A 88 -0.630 3.731 -8.365 1.00 0.00 C ATOM 1322 O TYR A 88 -0.568 4.040 -9.555 1.00 0.00 O ATOM 1323 CB TYR A 88 0.814 5.677 -7.738 1.00 0.00 C ATOM 1324 CG TYR A 88 1.196 6.724 -6.717 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.224 7.422 -6.012 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.530 7.016 -6.458 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.569 8.380 -5.078 1.00 0.00 C ATOM 1328 CE2 TYR A 88 2.883 7.973 -5.525 1.00 0.00 C ATOM 1329 CZ TYR A 88 1.900 8.652 -4.839 1.00 0.00 C ATOM 1330 OH TYR A 88 2.247 9.605 -3.910 1.00 0.00 O ATOM 0 H TYR A 88 0.806 3.421 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.211 5.346 -7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.691 5.075 -7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.511 6.174 -8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.819 7.212 -6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.303 6.487 -6.994 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.199 8.913 -4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.924 8.187 -5.335 1.00 0.00 H new ATOM 0 HH TYR A 88 3.223 9.674 -3.861 1.00 0.00 H new ATOM 1340 N SER A 89 -0.976 2.517 -7.951 1.00 0.00 N ATOM 1341 CA SER A 89 -1.307 1.454 -8.895 1.00 0.00 C ATOM 1342 C SER A 89 -2.818 1.339 -9.080 1.00 0.00 C ATOM 1343 O SER A 89 -3.343 0.250 -9.316 1.00 0.00 O ATOM 1344 CB SER A 89 -0.740 0.116 -8.416 1.00 0.00 C ATOM 1345 OG SER A 89 -0.612 0.094 -7.005 1.00 0.00 O ATOM 0 H SER A 89 -1.035 2.244 -6.970 1.00 0.00 H new ATOM 0 HA SER A 89 -0.858 1.708 -9.855 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.392 -0.696 -8.738 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.233 -0.056 -8.876 1.00 0.00 H new ATOM 0 HG SER A 89 0.073 0.738 -6.729 1.00 0.00 H new