USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 27 GLN : amide:sc= -0.0403 K(o=-0.04,f=-1.1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD Single : A 44 SER OG : rot -136:sc= 1.41 USER MOD Single : A 58 MET CE :methyl -165:sc= -4.61! (180deg=-5.49!) USER MOD Single : A 59 THR OG1 : rot 129:sc= -1.6! USER MOD Single : A 64 THR OG1 : rot 84:sc= 0.161 USER MOD Single : A 73 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.067) USER MOD Single : A 74 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.87) USER MOD Single : A 75 THR OG1 : rot -86:sc= 0.139 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 -89:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.838 3.056 1.572 1.00 0.00 N ATOM 351 CA LYS A 25 -4.595 3.698 1.168 1.00 0.00 C ATOM 352 C LYS A 25 -4.272 4.873 2.087 1.00 0.00 C ATOM 353 O LYS A 25 -3.108 5.238 2.258 1.00 0.00 O ATOM 354 CB LYS A 25 -4.692 4.179 -0.281 1.00 0.00 C ATOM 355 CG LYS A 25 -3.408 4.800 -0.803 1.00 0.00 C ATOM 356 CD LYS A 25 -3.691 5.944 -1.764 1.00 0.00 C ATOM 357 CE LYS A 25 -2.697 7.080 -1.588 1.00 0.00 C ATOM 358 NZ LYS A 25 -2.970 8.208 -2.520 1.00 0.00 N ATOM 0 HA LYS A 25 -3.792 2.965 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.963 3.337 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.497 4.910 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.813 5.166 0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.814 4.038 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.648 5.578 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.702 6.316 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.737 7.441 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.687 6.707 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.270 8.962 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.907 7.870 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.924 8.581 -2.343 1.00 0.00 H new ATOM 372 N THR A 26 -5.311 5.461 2.675 1.00 0.00 N ATOM 373 CA THR A 26 -5.136 6.596 3.574 1.00 0.00 C ATOM 374 C THR A 26 -4.441 6.163 4.857 1.00 0.00 C ATOM 375 O THR A 26 -3.721 6.944 5.474 1.00 0.00 O ATOM 376 CB THR A 26 -6.476 7.263 3.883 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.554 6.462 3.436 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.616 8.627 3.237 1.00 0.00 C ATOM 0 H THR A 26 -6.280 5.170 2.545 1.00 0.00 H new ATOM 0 HA THR A 26 -4.504 7.329 3.072 1.00 0.00 H new ATOM 0 HB THR A 26 -6.502 7.380 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.401 6.907 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.587 9.052 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.826 9.284 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.536 8.527 2.155 1.00 0.00 H new ATOM 386 N GLN A 27 -4.633 4.907 5.244 1.00 0.00 N ATOM 387 CA GLN A 27 -3.988 4.385 6.440 1.00 0.00 C ATOM 388 C GLN A 27 -2.472 4.492 6.293 1.00 0.00 C ATOM 389 O GLN A 27 -1.738 4.539 7.281 1.00 0.00 O ATOM 390 CB GLN A 27 -4.394 2.928 6.676 1.00 0.00 C ATOM 391 CG GLN A 27 -3.814 2.333 7.949 1.00 0.00 C ATOM 392 CD GLN A 27 -4.484 1.032 8.342 1.00 0.00 C ATOM 393 OE1 GLN A 27 -5.678 0.839 8.110 1.00 0.00 O ATOM 394 NE2 GLN A 27 -3.717 0.128 8.942 1.00 0.00 N ATOM 0 H GLN A 27 -5.225 4.238 4.751 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.308 4.974 7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.481 2.865 6.718 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.072 2.328 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.747 2.161 7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.919 3.051 8.762 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.732 0.329 9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.113 -0.767 9.229 1.00 0.00 H new ATOM 403 N LEU A 28 -2.018 4.536 5.041 1.00 0.00 N ATOM 404 CA LEU A 28 -0.598 4.646 4.729 1.00 0.00 C ATOM 405 C LEU A 28 -0.154 6.099 4.665 1.00 0.00 C ATOM 406 O LEU A 28 1.038 6.406 4.616 1.00 0.00 O ATOM 407 CB LEU A 28 -0.313 3.964 3.397 1.00 0.00 C ATOM 408 CG LEU A 28 1.134 3.514 3.189 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.196 2.344 2.218 1.00 0.00 C ATOM 410 CD2 LEU A 28 1.984 4.672 2.688 1.00 0.00 C ATOM 0 H LEU A 28 -2.622 4.496 4.220 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.037 4.156 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.963 3.094 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.583 4.648 2.592 1.00 0.00 H new ATOM 0 HG LEU A 28 1.534 3.184 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.233 2.038 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.620 1.509 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.779 2.646 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.011 4.335 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.585 5.032 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.966 5.480 3.420 1.00 0.00 H new ATOM 422 N ILE A 29 -1.132 6.974 4.665 1.00 0.00 N ATOM 423 CA ILE A 29 -0.901 8.416 4.605 1.00 0.00 C ATOM 424 C ILE A 29 -0.220 8.932 5.851 1.00 0.00 C ATOM 425 O ILE A 29 0.297 10.048 5.896 1.00 0.00 O ATOM 426 CB ILE A 29 -2.221 9.171 4.402 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.857 8.768 3.077 1.00 0.00 C ATOM 428 CG2 ILE A 29 -2.012 10.680 4.474 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.232 9.412 1.867 1.00 0.00 C ATOM 0 H ILE A 29 -2.118 6.715 4.707 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.243 8.593 3.755 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.900 8.898 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.793 7.685 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.916 9.024 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.966 11.187 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.608 10.945 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.313 10.988 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.744 9.071 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.320 10.496 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.179 9.136 1.811 1.00 0.00 H new ATOM 441 N GLU A 30 -0.228 8.095 6.839 1.00 0.00 N ATOM 442 CA GLU A 30 0.385 8.394 8.127 1.00 0.00 C ATOM 443 C GLU A 30 1.897 8.233 8.076 1.00 0.00 C ATOM 444 O GLU A 30 2.590 8.403 9.079 1.00 0.00 O ATOM 445 CB GLU A 30 -0.212 7.520 9.232 1.00 0.00 C ATOM 446 CG GLU A 30 -1.729 7.460 9.208 1.00 0.00 C ATOM 447 CD GLU A 30 -2.274 6.201 9.858 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.625 5.142 9.733 1.00 0.00 O ATOM 449 OE2 GLU A 30 -3.348 6.278 10.489 1.00 0.00 O ATOM 0 H GLU A 30 -0.660 7.172 6.790 1.00 0.00 H new ATOM 0 HA GLU A 30 0.169 9.437 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.185 6.509 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.113 7.901 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.132 8.333 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.075 7.510 8.175 1.00 0.00 H new ATOM 456 N ALA A 31 2.388 7.908 6.901 1.00 0.00 N ATOM 457 CA ALA A 31 3.817 7.716 6.685 1.00 0.00 C ATOM 458 C ALA A 31 4.474 9.004 6.198 1.00 0.00 C ATOM 459 O ALA A 31 5.636 9.275 6.506 1.00 0.00 O ATOM 460 CB ALA A 31 4.054 6.592 5.689 1.00 0.00 C ATOM 0 H ALA A 31 1.817 7.768 6.068 1.00 0.00 H new ATOM 0 HA ALA A 31 4.271 7.443 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.125 6.460 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.625 5.667 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.581 6.842 4.739 1.00 0.00 H new ATOM 466 N PHE A 32 3.724 9.794 5.438 1.00 0.00 N ATOM 467 CA PHE A 32 4.231 11.054 4.907 1.00 0.00 C ATOM 468 C PHE A 32 4.661 11.988 6.035 1.00 0.00 C ATOM 469 O PHE A 32 5.561 12.810 5.864 1.00 0.00 O ATOM 470 CB PHE A 32 3.168 11.733 4.043 1.00 0.00 C ATOM 471 CG PHE A 32 2.747 10.915 2.856 1.00 0.00 C ATOM 472 CD1 PHE A 32 3.543 10.853 1.723 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.556 10.208 2.873 1.00 0.00 C ATOM 474 CE1 PHE A 32 3.159 10.101 0.629 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.166 9.455 1.782 1.00 0.00 C ATOM 476 CZ PHE A 32 1.969 9.402 0.658 1.00 0.00 C ATOM 0 H PHE A 32 2.761 9.584 5.175 1.00 0.00 H new ATOM 0 HA PHE A 32 5.103 10.834 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.293 11.944 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.552 12.692 3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.474 11.399 1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.925 10.246 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.789 10.060 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.235 8.908 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.666 8.815 -0.196 1.00 0.00 H new ATOM 486 N TYR A 33 4.010 11.858 7.187 1.00 0.00 N ATOM 487 CA TYR A 33 4.326 12.691 8.341 1.00 0.00 C ATOM 488 C TYR A 33 5.261 11.962 9.300 1.00 0.00 C ATOM 489 O TYR A 33 5.153 12.106 10.519 1.00 0.00 O ATOM 490 CB TYR A 33 3.042 13.095 9.070 1.00 0.00 C ATOM 491 CG TYR A 33 1.970 13.637 8.152 1.00 0.00 C ATOM 492 CD1 TYR A 33 2.070 14.915 7.613 1.00 0.00 C ATOM 493 CD2 TYR A 33 0.857 12.872 7.826 1.00 0.00 C ATOM 494 CE1 TYR A 33 1.091 15.413 6.775 1.00 0.00 C ATOM 495 CE2 TYR A 33 -0.126 13.364 6.987 1.00 0.00 C ATOM 496 CZ TYR A 33 -0.004 14.634 6.465 1.00 0.00 C ATOM 497 OH TYR A 33 -0.980 15.128 5.630 1.00 0.00 O ATOM 0 H TYR A 33 3.261 11.184 7.346 1.00 0.00 H new ATOM 0 HA TYR A 33 4.831 13.588 7.983 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.649 12.229 9.603 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.282 13.849 9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.926 15.528 7.853 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.758 11.877 8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.183 16.408 6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.985 12.757 6.742 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.682 14.454 5.512 1.00 0.00 H new ATOM 507 N ASN A 34 6.181 11.181 8.745 1.00 0.00 N ATOM 508 CA ASN A 34 7.136 10.431 9.550 1.00 0.00 C ATOM 509 C ASN A 34 8.279 9.901 8.689 1.00 0.00 C ATOM 510 O ASN A 34 8.832 8.835 8.960 1.00 0.00 O ATOM 511 CB ASN A 34 6.436 9.269 10.259 1.00 0.00 C ATOM 512 CG ASN A 34 6.971 9.040 11.660 1.00 0.00 C ATOM 513 OD1 ASN A 34 6.205 8.926 12.617 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.291 8.970 11.784 1.00 0.00 N ATOM 0 H ASN A 34 6.285 11.051 7.739 1.00 0.00 H new ATOM 0 HA ASN A 34 7.552 11.107 10.297 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.366 9.470 10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.562 8.360 9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.710 8.816 12.701 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.886 9.070 10.962 1.00 0.00 H new ATOM 612 N PHE A 42 15.080 7.019 -2.331 1.00 0.00 N ATOM 613 CA PHE A 42 15.628 5.676 -2.199 1.00 0.00 C ATOM 614 C PHE A 42 15.722 5.268 -0.733 1.00 0.00 C ATOM 615 O PHE A 42 16.353 5.953 0.073 1.00 0.00 O ATOM 616 CB PHE A 42 17.008 5.598 -2.854 1.00 0.00 C ATOM 617 CG PHE A 42 16.969 5.717 -4.351 1.00 0.00 C ATOM 618 CD1 PHE A 42 16.362 4.737 -5.121 1.00 0.00 C ATOM 619 CD2 PHE A 42 17.540 6.806 -4.988 1.00 0.00 C ATOM 620 CE1 PHE A 42 16.325 4.843 -6.498 1.00 0.00 C ATOM 621 CE2 PHE A 42 17.507 6.918 -6.364 1.00 0.00 C ATOM 622 CZ PHE A 42 16.898 5.934 -7.121 1.00 0.00 C ATOM 0 HA PHE A 42 14.955 4.985 -2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.638 6.391 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.476 4.651 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.913 3.881 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 42 18.017 7.577 -4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 42 15.848 4.073 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.956 7.773 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.871 6.019 -8.197 1.00 0.00 H new ATOM 632 N VAL A 43 15.094 4.148 -0.396 1.00 0.00 N ATOM 633 CA VAL A 43 15.106 3.645 0.971 1.00 0.00 C ATOM 634 C VAL A 43 15.134 2.119 0.990 1.00 0.00 C ATOM 635 O VAL A 43 14.158 1.466 0.622 1.00 0.00 O ATOM 636 CB VAL A 43 13.882 4.141 1.764 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.592 3.691 1.098 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.942 3.661 3.207 1.00 0.00 C ATOM 0 H VAL A 43 14.569 3.570 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 43 16.010 4.028 1.445 1.00 0.00 H new ATOM 0 HB VAL A 43 13.899 5.231 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.740 4.052 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.544 4.096 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.566 2.602 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.068 4.023 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.956 2.571 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.846 4.044 3.681 1.00 0.00 H new ATOM 648 N SER A 44 16.260 1.559 1.419 1.00 0.00 N ATOM 649 CA SER A 44 16.417 0.113 1.483 1.00 0.00 C ATOM 650 C SER A 44 15.474 -0.495 2.516 1.00 0.00 C ATOM 651 O SER A 44 14.981 0.196 3.407 1.00 0.00 O ATOM 652 CB SER A 44 17.864 -0.249 1.824 1.00 0.00 C ATOM 653 OG SER A 44 18.772 0.665 1.234 1.00 0.00 O ATOM 0 H SER A 44 17.077 2.086 1.727 1.00 0.00 H new ATOM 0 HA SER A 44 16.166 -0.296 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.996 -0.250 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.081 -1.259 1.475 1.00 0.00 H new ATOM 0 HG SER A 44 19.523 0.173 0.841 1.00 0.00 H new ATOM 659 N VAL A 45 15.233 -1.797 2.394 1.00 0.00 N ATOM 660 CA VAL A 45 14.356 -2.507 3.316 1.00 0.00 C ATOM 661 C VAL A 45 14.853 -2.368 4.751 1.00 0.00 C ATOM 662 O VAL A 45 14.123 -1.916 5.632 1.00 0.00 O ATOM 663 CB VAL A 45 14.266 -4.004 2.961 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.362 -4.739 3.937 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.774 -4.187 1.533 1.00 0.00 C ATOM 0 H VAL A 45 15.635 -2.383 1.662 1.00 0.00 H new ATOM 0 HA VAL A 45 13.366 -2.060 3.227 1.00 0.00 H new ATOM 0 HB VAL A 45 15.266 -4.431 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.315 -5.794 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.761 -4.642 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.361 -4.309 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.717 -5.251 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.786 -3.740 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.466 -3.702 0.845 1.00 0.00 H new ATOM 675 N GLU A 46 16.102 -2.764 4.973 1.00 0.00 N ATOM 676 CA GLU A 46 16.712 -2.693 6.297 1.00 0.00 C ATOM 677 C GLU A 46 16.462 -1.332 6.942 1.00 0.00 C ATOM 678 O GLU A 46 16.162 -1.244 8.134 1.00 0.00 O ATOM 679 CB GLU A 46 18.214 -2.961 6.202 1.00 0.00 C ATOM 680 CG GLU A 46 18.567 -4.133 5.298 1.00 0.00 C ATOM 681 CD GLU A 46 19.978 -4.638 5.521 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.906 -4.120 4.862 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.158 -5.551 6.354 1.00 0.00 O ATOM 0 H GLU A 46 16.715 -3.139 4.249 1.00 0.00 H new ATOM 0 HA GLU A 46 16.253 -3.458 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.712 -2.065 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.604 -3.153 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.862 -4.946 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.454 -3.831 4.257 1.00 0.00 H new ATOM 690 N GLU A 47 16.577 -0.277 6.145 1.00 0.00 N ATOM 691 CA GLU A 47 16.352 1.079 6.634 1.00 0.00 C ATOM 692 C GLU A 47 14.858 1.371 6.729 1.00 0.00 C ATOM 693 O GLU A 47 14.422 2.183 7.544 1.00 0.00 O ATOM 694 CB GLU A 47 17.028 2.095 5.712 1.00 0.00 C ATOM 695 CG GLU A 47 18.304 2.688 6.290 1.00 0.00 C ATOM 696 CD GLU A 47 18.054 3.966 7.066 1.00 0.00 C ATOM 697 OE1 GLU A 47 17.530 4.930 6.468 1.00 0.00 O ATOM 698 OE2 GLU A 47 18.381 4.003 8.270 1.00 0.00 O ATOM 0 H GLU A 47 16.825 -0.333 5.157 1.00 0.00 H new ATOM 0 HA GLU A 47 16.788 1.163 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.259 1.613 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.327 2.902 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.776 1.956 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.005 2.890 5.481 1.00 0.00 H new ATOM 705 N PHE A 48 14.078 0.696 5.889 1.00 0.00 N ATOM 706 CA PHE A 48 12.631 0.873 5.869 1.00 0.00 C ATOM 707 C PHE A 48 11.998 0.342 7.153 1.00 0.00 C ATOM 708 O PHE A 48 10.959 0.831 7.594 1.00 0.00 O ATOM 709 CB PHE A 48 12.034 0.157 4.657 1.00 0.00 C ATOM 710 CG PHE A 48 10.982 0.954 3.940 1.00 0.00 C ATOM 711 CD1 PHE A 48 10.003 1.634 4.648 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.971 1.021 2.556 1.00 0.00 C ATOM 713 CE1 PHE A 48 9.035 2.368 3.988 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.006 1.752 1.890 1.00 0.00 C ATOM 715 CZ PHE A 48 9.036 2.426 2.608 1.00 0.00 C ATOM 0 H PHE A 48 14.427 0.019 5.211 1.00 0.00 H new ATOM 0 HA PHE A 48 12.418 1.940 5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.835 -0.083 3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.601 -0.789 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.996 1.590 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.726 0.495 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.279 2.895 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.010 1.797 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.280 2.997 2.090 1.00 0.00 H new ATOM 725 N ARG A 49 12.633 -0.665 7.749 1.00 0.00 N ATOM 726 CA ARG A 49 12.129 -1.265 8.981 1.00 0.00 C ATOM 727 C ARG A 49 11.956 -0.213 10.072 1.00 0.00 C ATOM 728 O ARG A 49 10.867 -0.048 10.621 1.00 0.00 O ATOM 729 CB ARG A 49 13.080 -2.364 9.467 1.00 0.00 C ATOM 730 CG ARG A 49 13.460 -3.367 8.388 1.00 0.00 C ATOM 731 CD ARG A 49 12.232 -3.955 7.712 1.00 0.00 C ATOM 732 NE ARG A 49 11.513 -4.876 8.589 1.00 0.00 N ATOM 733 CZ ARG A 49 11.976 -6.071 8.949 1.00 0.00 C ATOM 734 NH1 ARG A 49 13.153 -6.494 8.509 1.00 0.00 N ATOM 735 NH2 ARG A 49 11.257 -6.845 9.750 1.00 0.00 N ATOM 0 H ARG A 49 13.496 -1.082 7.399 1.00 0.00 H new ATOM 0 HA ARG A 49 11.155 -1.703 8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.987 -1.901 9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.613 -2.896 10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.088 -2.879 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.052 -4.169 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.565 -3.149 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.533 -4.479 6.805 1.00 0.00 H new ATOM 0 HE ARG A 49 10.603 -4.586 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.709 -5.903 7.891 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.502 -7.411 8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.350 -6.525 10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.611 -7.761 10.027 1.00 0.00 H new ATOM 749 N GLY A 50 13.037 0.497 10.381 1.00 0.00 N ATOM 750 CA GLY A 50 12.982 1.525 11.406 1.00 0.00 C ATOM 751 C GLY A 50 11.897 2.553 11.144 1.00 0.00 C ATOM 752 O GLY A 50 11.423 3.214 12.068 1.00 0.00 O ATOM 0 H GLY A 50 13.949 0.379 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.808 1.058 12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.947 2.028 11.463 1.00 0.00 H new ATOM 756 N ILE A 51 11.504 2.689 9.881 1.00 0.00 N ATOM 757 CA ILE A 51 10.470 3.643 9.501 1.00 0.00 C ATOM 758 C ILE A 51 9.076 3.051 9.688 1.00 0.00 C ATOM 759 O ILE A 51 8.101 3.783 9.852 1.00 0.00 O ATOM 760 CB ILE A 51 10.631 4.091 8.036 1.00 0.00 C ATOM 761 CG1 ILE A 51 12.084 4.474 7.752 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.701 5.257 7.733 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.348 4.812 6.300 1.00 0.00 C ATOM 0 H ILE A 51 11.887 2.150 9.104 1.00 0.00 H new ATOM 0 HA ILE A 51 10.584 4.508 10.154 1.00 0.00 H new ATOM 0 HB ILE A 51 10.362 3.258 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.353 5.330 8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.733 3.650 8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.827 5.562 6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.668 4.951 7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.941 6.094 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.398 5.074 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.111 3.950 5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.725 5.656 6.004 1.00 0.00 H new ATOM 775 N ILE A 52 8.987 1.725 9.656 1.00 0.00 N ATOM 776 CA ILE A 52 7.710 1.041 9.820 1.00 0.00 C ATOM 777 C ILE A 52 7.466 0.667 11.281 1.00 0.00 C ATOM 778 O ILE A 52 6.334 0.711 11.760 1.00 0.00 O ATOM 779 CB ILE A 52 7.643 -0.233 8.952 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.784 0.129 7.472 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.340 -0.984 9.194 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.635 0.961 6.945 1.00 0.00 C ATOM 0 H ILE A 52 9.784 1.103 9.518 1.00 0.00 H new ATOM 0 HA ILE A 52 6.934 1.734 9.496 1.00 0.00 H new ATOM 0 HB ILE A 52 8.469 -0.886 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.716 0.676 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.858 -0.788 6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.315 -1.878 8.572 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.275 -1.270 10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.497 -0.341 8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.799 1.182 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.703 0.408 7.059 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.574 1.894 7.506 1.00 0.00 H new ATOM 794 N ARG A 53 8.534 0.297 11.979 1.00 0.00 N ATOM 795 CA ARG A 53 8.433 -0.088 13.383 1.00 0.00 C ATOM 796 C ARG A 53 7.744 0.999 14.203 1.00 0.00 C ATOM 797 O ARG A 53 6.854 0.715 15.006 1.00 0.00 O ATOM 798 CB ARG A 53 9.822 -0.372 13.956 1.00 0.00 C ATOM 799 CG ARG A 53 9.828 -1.448 15.032 1.00 0.00 C ATOM 800 CD ARG A 53 11.037 -2.362 14.905 1.00 0.00 C ATOM 801 NE ARG A 53 12.004 -2.142 15.979 1.00 0.00 N ATOM 802 CZ ARG A 53 12.891 -1.150 15.988 1.00 0.00 C ATOM 803 NH1 ARG A 53 12.938 -0.284 14.985 1.00 0.00 N ATOM 804 NH2 ARG A 53 13.733 -1.025 17.004 1.00 0.00 N ATOM 0 H ARG A 53 9.479 0.255 11.597 1.00 0.00 H new ATOM 0 HA ARG A 53 7.830 -0.994 13.440 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.485 -0.676 13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.229 0.549 14.373 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.828 -0.979 16.016 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.915 -2.039 14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.709 -3.401 14.920 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.520 -2.193 13.942 1.00 0.00 H new ATOM 0 HE ARG A 53 11.999 -2.787 16.769 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.292 -0.376 14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.620 0.474 14.997 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.701 -1.689 17.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.413 -0.265 17.012 1.00 0.00 H new ATOM 818 N ASP A 54 8.162 2.244 13.998 1.00 0.00 N ATOM 819 CA ASP A 54 7.586 3.373 14.721 1.00 0.00 C ATOM 820 C ASP A 54 6.785 4.283 13.792 1.00 0.00 C ATOM 821 O ASP A 54 6.461 5.414 14.152 1.00 0.00 O ATOM 822 CB ASP A 54 8.690 4.177 15.410 1.00 0.00 C ATOM 823 CG ASP A 54 9.356 3.404 16.532 1.00 0.00 C ATOM 824 OD1 ASP A 54 8.632 2.889 17.408 1.00 0.00 O ATOM 825 OD2 ASP A 54 10.602 3.312 16.532 1.00 0.00 O ATOM 0 H ASP A 54 8.897 2.497 13.338 1.00 0.00 H new ATOM 0 HA ASP A 54 6.905 2.973 15.472 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.441 4.462 14.673 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.268 5.100 15.809 1.00 0.00 H new ATOM 830 N GLY A 55 6.470 3.790 12.595 1.00 0.00 N ATOM 831 CA GLY A 55 5.714 4.589 11.646 1.00 0.00 C ATOM 832 C GLY A 55 4.302 4.076 11.445 1.00 0.00 C ATOM 833 O GLY A 55 3.375 4.503 12.134 1.00 0.00 O ATOM 0 H GLY A 55 6.723 2.858 12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.675 5.621 11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.234 4.596 10.688 1.00 0.00 H new ATOM 837 N LEU A 56 4.136 3.163 10.494 1.00 0.00 N ATOM 838 CA LEU A 56 2.825 2.596 10.199 1.00 0.00 C ATOM 839 C LEU A 56 2.667 1.219 10.842 1.00 0.00 C ATOM 840 O LEU A 56 3.585 0.400 10.802 1.00 0.00 O ATOM 841 CB LEU A 56 2.624 2.490 8.687 1.00 0.00 C ATOM 842 CG LEU A 56 3.065 3.718 7.888 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.488 3.539 7.381 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.113 3.971 6.728 1.00 0.00 C ATOM 0 H LEU A 56 4.893 2.800 9.914 1.00 0.00 H new ATOM 0 HA LEU A 56 2.068 3.260 10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.173 1.622 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.568 2.306 8.488 1.00 0.00 H new ATOM 0 HG LEU A 56 3.040 4.585 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.786 4.421 6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.162 3.406 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.537 2.661 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.443 4.848 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.106 3.104 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.108 4.142 7.113 1.00 0.00 H new ATOM 856 N PRO A 57 1.498 0.945 11.448 1.00 0.00 N ATOM 857 CA PRO A 57 1.231 -0.337 12.098 1.00 0.00 C ATOM 858 C PRO A 57 0.850 -1.426 11.104 1.00 0.00 C ATOM 859 O PRO A 57 -0.226 -2.018 11.195 1.00 0.00 O ATOM 860 CB PRO A 57 0.058 -0.013 13.020 1.00 0.00 C ATOM 861 CG PRO A 57 -0.686 1.066 12.310 1.00 0.00 C ATOM 862 CD PRO A 57 0.345 1.863 11.548 1.00 0.00 C ATOM 0 HA PRO A 57 2.107 -0.729 12.615 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.571 -0.888 13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.403 0.320 13.999 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.429 0.645 11.633 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.221 1.699 13.018 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.022 2.153 10.563 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.609 2.781 12.073 1.00 0.00 H new ATOM 870 N MET A 58 1.743 -1.687 10.158 1.00 0.00 N ATOM 871 CA MET A 58 1.510 -2.709 9.150 1.00 0.00 C ATOM 872 C MET A 58 1.955 -4.076 9.660 1.00 0.00 C ATOM 873 O MET A 58 2.974 -4.191 10.342 1.00 0.00 O ATOM 874 CB MET A 58 2.261 -2.360 7.859 1.00 0.00 C ATOM 875 CG MET A 58 1.369 -2.291 6.631 1.00 0.00 C ATOM 876 SD MET A 58 2.170 -1.473 5.236 1.00 0.00 S ATOM 877 CE MET A 58 2.673 -2.884 4.250 1.00 0.00 C ATOM 0 H MET A 58 2.637 -1.203 10.069 1.00 0.00 H new ATOM 0 HA MET A 58 0.441 -2.748 8.939 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.760 -1.400 7.988 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.039 -3.104 7.690 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.081 -3.301 6.339 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.452 -1.758 6.882 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.402 -2.566 3.505 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.121 -3.638 4.897 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.802 -3.307 3.749 1.00 0.00 H new ATOM 887 N THR A 59 1.192 -5.109 9.324 1.00 0.00 N ATOM 888 CA THR A 59 1.518 -6.468 9.745 1.00 0.00 C ATOM 889 C THR A 59 2.671 -7.026 8.914 1.00 0.00 C ATOM 890 O THR A 59 2.790 -6.730 7.727 1.00 0.00 O ATOM 891 CB THR A 59 0.296 -7.380 9.618 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.622 -6.862 8.670 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.446 -7.571 10.925 1.00 0.00 C ATOM 0 H THR A 59 0.344 -5.033 8.762 1.00 0.00 H new ATOM 0 HA THR A 59 1.823 -6.433 10.791 1.00 0.00 H new ATOM 0 HB THR A 59 0.687 -8.346 9.298 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.862 -7.564 8.030 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.301 -8.228 10.765 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.222 -8.018 11.661 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.794 -6.605 11.290 1.00 0.00 H new ATOM 901 N GLU A 60 3.513 -7.842 9.548 1.00 0.00 N ATOM 902 CA GLU A 60 4.662 -8.451 8.873 1.00 0.00 C ATOM 903 C GLU A 60 4.302 -8.874 7.459 1.00 0.00 C ATOM 904 O GLU A 60 4.976 -8.519 6.500 1.00 0.00 O ATOM 905 CB GLU A 60 5.150 -9.671 9.657 1.00 0.00 C ATOM 906 CG GLU A 60 4.027 -10.560 10.171 1.00 0.00 C ATOM 907 CD GLU A 60 4.486 -11.503 11.266 1.00 0.00 C ATOM 908 OE1 GLU A 60 5.120 -11.028 12.232 1.00 0.00 O ATOM 909 OE2 GLU A 60 4.214 -12.718 11.157 1.00 0.00 O ATOM 0 H GLU A 60 3.421 -8.098 10.531 1.00 0.00 H new ATOM 0 HA GLU A 60 5.455 -7.705 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.806 -10.263 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.749 -9.332 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.218 -9.935 10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.620 -11.141 9.343 1.00 0.00 H new ATOM 916 N ALA A 61 3.227 -9.632 7.349 1.00 0.00 N ATOM 917 CA ALA A 61 2.747 -10.112 6.063 1.00 0.00 C ATOM 918 C ALA A 61 2.716 -8.987 5.035 1.00 0.00 C ATOM 919 O ALA A 61 3.290 -9.104 3.960 1.00 0.00 O ATOM 920 CB ALA A 61 1.370 -10.729 6.222 1.00 0.00 C ATOM 0 H ALA A 61 2.663 -9.932 8.144 1.00 0.00 H new ATOM 0 HA ALA A 61 3.436 -10.875 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.017 -11.086 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.424 -11.565 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.678 -9.980 6.606 1.00 0.00 H new ATOM 926 N GLU A 62 2.050 -7.889 5.377 1.00 0.00 N ATOM 927 CA GLU A 62 1.966 -6.745 4.470 1.00 0.00 C ATOM 928 C GLU A 62 3.364 -6.294 4.068 1.00 0.00 C ATOM 929 O GLU A 62 3.725 -6.327 2.894 1.00 0.00 O ATOM 930 CB GLU A 62 1.218 -5.566 5.109 1.00 0.00 C ATOM 931 CG GLU A 62 0.261 -5.954 6.223 1.00 0.00 C ATOM 932 CD GLU A 62 -0.687 -7.067 5.820 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.496 -6.851 4.893 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.620 -8.155 6.430 1.00 0.00 O ATOM 0 H GLU A 62 1.565 -7.765 6.265 1.00 0.00 H new ATOM 0 HA GLU A 62 1.409 -7.066 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.949 -4.861 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.659 -5.044 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.834 -6.269 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.318 -5.079 6.520 1.00 0.00 H new ATOM 941 N ILE A 63 4.144 -5.880 5.060 1.00 0.00 N ATOM 942 CA ILE A 63 5.515 -5.422 4.822 1.00 0.00 C ATOM 943 C ILE A 63 6.355 -6.514 4.176 1.00 0.00 C ATOM 944 O ILE A 63 6.854 -6.354 3.066 1.00 0.00 O ATOM 945 CB ILE A 63 6.211 -4.981 6.123 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.248 -4.212 7.022 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.431 -4.134 5.808 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.764 -5.030 8.190 1.00 0.00 C ATOM 0 H ILE A 63 3.854 -5.851 6.038 1.00 0.00 H new ATOM 0 HA ILE A 63 5.437 -4.566 4.152 1.00 0.00 H new ATOM 0 HB ILE A 63 6.533 -5.875 6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.742 -3.314 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.391 -3.884 6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.912 -3.830 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.132 -4.715 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.125 -3.248 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.082 -4.432 8.795 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.244 -5.915 7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.616 -5.336 8.798 1.00 0.00 H new ATOM 960 N THR A 64 6.504 -7.625 4.887 1.00 0.00 N ATOM 961 CA THR A 64 7.284 -8.758 4.403 1.00 0.00 C ATOM 962 C THR A 64 6.850 -9.166 3.002 1.00 0.00 C ATOM 963 O THR A 64 7.675 -9.286 2.096 1.00 0.00 O ATOM 964 CB THR A 64 7.117 -9.941 5.349 1.00 0.00 C ATOM 965 OG1 THR A 64 7.632 -9.638 6.632 1.00 0.00 O ATOM 966 CG2 THR A 64 7.796 -11.204 4.862 1.00 0.00 C ATOM 0 H THR A 64 6.091 -7.766 5.809 1.00 0.00 H new ATOM 0 HA THR A 64 8.331 -8.457 4.366 1.00 0.00 H new ATOM 0 HB THR A 64 6.043 -10.123 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.954 -9.159 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.636 -12.005 5.584 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.376 -11.495 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.865 -11.023 4.752 1.00 0.00 H new ATOM 974 N GLU A 65 5.548 -9.373 2.827 1.00 0.00 N ATOM 975 CA GLU A 65 5.021 -9.763 1.523 1.00 0.00 C ATOM 976 C GLU A 65 5.212 -8.645 0.523 1.00 0.00 C ATOM 977 O GLU A 65 5.119 -8.841 -0.688 1.00 0.00 O ATOM 978 CB GLU A 65 3.546 -10.141 1.614 1.00 0.00 C ATOM 979 CG GLU A 65 3.025 -10.868 0.385 1.00 0.00 C ATOM 980 CD GLU A 65 3.414 -12.334 0.366 1.00 0.00 C ATOM 981 OE1 GLU A 65 3.720 -12.880 1.446 1.00 0.00 O ATOM 982 OE2 GLU A 65 3.413 -12.933 -0.730 1.00 0.00 O ATOM 0 H GLU A 65 4.846 -9.279 3.561 1.00 0.00 H new ATOM 0 HA GLU A 65 5.575 -10.639 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.395 -10.772 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.957 -9.237 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.939 -10.784 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.411 -10.382 -0.511 1.00 0.00 H new ATOM 989 N PHE A 66 5.493 -7.482 1.056 1.00 0.00 N ATOM 990 CA PHE A 66 5.726 -6.302 0.248 1.00 0.00 C ATOM 991 C PHE A 66 7.220 -6.114 0.000 1.00 0.00 C ATOM 992 O PHE A 66 7.621 -5.514 -0.997 1.00 0.00 O ATOM 993 CB PHE A 66 5.145 -5.055 0.922 1.00 0.00 C ATOM 994 CG PHE A 66 3.694 -4.815 0.606 1.00 0.00 C ATOM 995 CD1 PHE A 66 2.833 -5.875 0.364 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.190 -3.524 0.549 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.499 -5.653 0.074 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.858 -3.296 0.259 1.00 0.00 C ATOM 999 CZ PHE A 66 1.012 -4.361 0.021 1.00 0.00 C ATOM 0 H PHE A 66 5.568 -7.322 2.061 1.00 0.00 H new ATOM 0 HA PHE A 66 5.223 -6.443 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.261 -5.149 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.723 -4.184 0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.209 -6.887 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.847 -2.687 0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.839 -6.488 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.479 -2.285 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.029 -4.184 -0.206 1.00 0.00 H new ATOM 1009 N PHE A 67 8.038 -6.636 0.912 1.00 0.00 N ATOM 1010 CA PHE A 67 9.489 -6.528 0.789 1.00 0.00 C ATOM 1011 C PHE A 67 10.027 -7.564 -0.192 1.00 0.00 C ATOM 1012 O PHE A 67 11.052 -7.346 -0.840 1.00 0.00 O ATOM 1013 CB PHE A 67 10.152 -6.709 2.157 1.00 0.00 C ATOM 1014 CG PHE A 67 10.217 -5.454 2.990 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.292 -4.199 2.400 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.205 -5.537 4.373 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.352 -3.056 3.176 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.266 -4.397 5.152 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.339 -3.156 4.553 1.00 0.00 C ATOM 0 H PHE A 67 7.721 -7.137 1.742 1.00 0.00 H new ATOM 0 HA PHE A 67 9.726 -5.535 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.607 -7.471 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.164 -7.085 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.304 -4.115 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.147 -6.505 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.409 -2.086 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.257 -4.477 6.229 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.386 -2.264 5.160 1.00 0.00 H new ATOM 1029 N GLU A 68 9.328 -8.689 -0.300 1.00 0.00 N ATOM 1030 CA GLU A 68 9.737 -9.756 -1.206 1.00 0.00 C ATOM 1031 C GLU A 68 9.177 -9.525 -2.606 1.00 0.00 C ATOM 1032 O GLU A 68 9.791 -9.906 -3.602 1.00 0.00 O ATOM 1033 CB GLU A 68 9.267 -11.113 -0.675 1.00 0.00 C ATOM 1034 CG GLU A 68 9.608 -11.343 0.789 1.00 0.00 C ATOM 1035 CD GLU A 68 10.819 -12.234 0.972 1.00 0.00 C ATOM 1036 OE1 GLU A 68 11.635 -12.329 0.030 1.00 0.00 O ATOM 1037 OE2 GLU A 68 10.954 -12.839 2.057 1.00 0.00 O ATOM 0 H GLU A 68 8.477 -8.885 0.227 1.00 0.00 H new ATOM 0 HA GLU A 68 10.825 -9.752 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.188 -11.191 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.718 -11.904 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.792 -10.383 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.752 -11.793 1.291 1.00 0.00 H new ATOM 1044 N ALA A 69 8.008 -8.898 -2.674 1.00 0.00 N ATOM 1045 CA ALA A 69 7.364 -8.612 -3.953 1.00 0.00 C ATOM 1046 C ALA A 69 7.937 -7.367 -4.604 1.00 0.00 C ATOM 1047 O ALA A 69 7.677 -7.074 -5.771 1.00 0.00 O ATOM 1048 CB ALA A 69 5.870 -8.462 -3.763 1.00 0.00 C ATOM 0 H ALA A 69 7.486 -8.577 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 69 7.560 -9.453 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.401 -8.249 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.460 -9.386 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.672 -7.642 -3.072 1.00 0.00 H new ATOM 1054 N ALA A 70 8.716 -6.652 -3.832 1.00 0.00 N ATOM 1055 CA ALA A 70 9.354 -5.424 -4.291 1.00 0.00 C ATOM 1056 C ALA A 70 10.823 -5.662 -4.624 1.00 0.00 C ATOM 1057 O ALA A 70 11.400 -4.966 -5.460 1.00 0.00 O ATOM 1058 CB ALA A 70 9.217 -4.334 -3.240 1.00 0.00 C ATOM 0 H ALA A 70 8.932 -6.897 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 70 8.851 -5.099 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.698 -3.423 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.161 -4.138 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.694 -4.658 -2.315 1.00 0.00 H new ATOM 1064 N ASP A 71 11.422 -6.650 -3.967 1.00 0.00 N ATOM 1065 CA ASP A 71 12.825 -6.981 -4.195 1.00 0.00 C ATOM 1066 C ASP A 71 12.974 -8.446 -4.607 1.00 0.00 C ATOM 1067 O ASP A 71 12.810 -9.348 -3.785 1.00 0.00 O ATOM 1068 CB ASP A 71 13.643 -6.710 -2.930 1.00 0.00 C ATOM 1069 CG ASP A 71 15.134 -6.849 -3.166 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.618 -6.358 -4.207 1.00 0.00 O ATOM 1071 OD2 ASP A 71 15.817 -7.450 -2.309 1.00 0.00 O ATOM 0 H ASP A 71 10.958 -7.236 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 71 13.199 -6.353 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.427 -5.704 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.336 -7.403 -2.146 1.00 0.00 H new ATOM 1076 N PRO A 72 13.289 -8.707 -5.890 1.00 0.00 N ATOM 1077 CA PRO A 72 13.456 -10.074 -6.396 1.00 0.00 C ATOM 1078 C PRO A 72 14.664 -10.775 -5.784 1.00 0.00 C ATOM 1079 O PRO A 72 14.590 -11.944 -5.405 1.00 0.00 O ATOM 1080 CB PRO A 72 13.654 -9.882 -7.902 1.00 0.00 C ATOM 1081 CG PRO A 72 14.154 -8.486 -8.047 1.00 0.00 C ATOM 1082 CD PRO A 72 13.504 -7.699 -6.945 1.00 0.00 C ATOM 0 HA PRO A 72 12.603 -10.705 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.369 -10.601 -8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.720 -10.026 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.240 -8.450 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.895 -8.078 -9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.143 -6.886 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.565 -7.251 -7.270 1.00 0.00 H new ATOM 1090 N ASN A 73 15.776 -10.054 -5.692 1.00 0.00 N ATOM 1091 CA ASN A 73 17.000 -10.609 -5.123 1.00 0.00 C ATOM 1092 C ASN A 73 16.840 -10.853 -3.628 1.00 0.00 C ATOM 1093 O ASN A 73 17.430 -11.781 -3.072 1.00 0.00 O ATOM 1094 CB ASN A 73 18.177 -9.663 -5.375 1.00 0.00 C ATOM 1095 CG ASN A 73 18.257 -9.212 -6.820 1.00 0.00 C ATOM 1096 OD1 ASN A 73 18.827 -9.900 -7.666 1.00 0.00 O ATOM 1097 ND2 ASN A 73 17.683 -8.050 -7.109 1.00 0.00 N ATOM 0 H ASN A 73 15.856 -9.086 -6.003 1.00 0.00 H new ATOM 0 HA ASN A 73 17.199 -11.564 -5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.082 -8.790 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.106 -10.163 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 73 17.704 -7.695 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 73 17.221 -7.513 -6.375 1.00 0.00 H new ATOM 1104 N ASN A 74 16.045 -10.008 -2.978 1.00 0.00 N ATOM 1105 CA ASN A 74 15.807 -10.116 -1.542 1.00 0.00 C ATOM 1106 C ASN A 74 17.027 -9.647 -0.762 1.00 0.00 C ATOM 1107 O ASN A 74 17.203 -9.996 0.406 1.00 0.00 O ATOM 1108 CB ASN A 74 15.457 -11.555 -1.153 1.00 0.00 C ATOM 1109 CG ASN A 74 14.463 -12.190 -2.106 1.00 0.00 C ATOM 1110 OD1 ASN A 74 13.438 -11.594 -2.440 1.00 0.00 O ATOM 1111 ND2 ASN A 74 14.760 -13.406 -2.549 1.00 0.00 N ATOM 0 H ASN A 74 15.552 -9.236 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 74 14.961 -9.475 -1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.368 -12.154 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.045 -11.565 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.128 -13.883 -3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.620 -13.863 -2.246 1.00 0.00 H new ATOM 1118 N THR A 75 17.868 -8.853 -1.416 1.00 0.00 N ATOM 1119 CA THR A 75 19.072 -8.335 -0.785 1.00 0.00 C ATOM 1120 C THR A 75 18.722 -7.425 0.388 1.00 0.00 C ATOM 1121 O THR A 75 19.536 -7.215 1.289 1.00 0.00 O ATOM 1122 CB THR A 75 19.926 -7.576 -1.803 1.00 0.00 C ATOM 1123 OG1 THR A 75 20.901 -6.783 -1.148 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.120 -6.663 -2.703 1.00 0.00 C ATOM 0 H THR A 75 17.736 -8.555 -2.383 1.00 0.00 H new ATOM 0 HA THR A 75 19.645 -9.181 -0.406 1.00 0.00 H new ATOM 0 HB THR A 75 20.391 -8.346 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.511 -5.916 -0.910 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.788 -6.157 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.392 -7.252 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.599 -5.922 -2.097 1.00 0.00 H new ATOM 1132 N GLY A 76 17.507 -6.886 0.372 1.00 0.00 N ATOM 1133 CA GLY A 76 17.069 -6.006 1.439 1.00 0.00 C ATOM 1134 C GLY A 76 16.957 -4.562 0.991 1.00 0.00 C ATOM 1135 O GLY A 76 16.959 -3.648 1.814 1.00 0.00 O ATOM 0 H GLY A 76 16.817 -7.044 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.102 -6.344 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.770 -6.072 2.271 1.00 0.00 H new ATOM 1139 N PHE A 77 16.862 -4.354 -0.320 1.00 0.00 N ATOM 1140 CA PHE A 77 16.751 -3.009 -0.874 1.00 0.00 C ATOM 1141 C PHE A 77 15.634 -2.940 -1.911 1.00 0.00 C ATOM 1142 O PHE A 77 15.387 -3.904 -2.636 1.00 0.00 O ATOM 1143 CB PHE A 77 18.077 -2.584 -1.512 1.00 0.00 C ATOM 1144 CG PHE A 77 19.228 -2.549 -0.548 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.670 -3.708 0.071 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.871 -1.355 -0.262 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.730 -3.676 0.956 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.932 -1.317 0.623 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.362 -2.479 1.234 1.00 0.00 C ATOM 0 H PHE A 77 16.860 -5.099 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 77 16.512 -2.327 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.316 -3.271 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.956 -1.596 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 77 19.180 -4.647 -0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.539 -0.443 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 77 21.065 -4.586 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.424 -0.380 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.190 -2.452 1.927 1.00 0.00 H new ATOM 1159 N ILE A 78 14.966 -1.793 -1.983 1.00 0.00 N ATOM 1160 CA ILE A 78 13.879 -1.603 -2.938 1.00 0.00 C ATOM 1161 C ILE A 78 14.008 -0.279 -3.669 1.00 0.00 C ATOM 1162 O ILE A 78 14.424 0.725 -3.089 1.00 0.00 O ATOM 1163 CB ILE A 78 12.489 -1.603 -2.267 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.413 -2.581 -1.099 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.412 -1.921 -3.291 1.00 0.00 C ATOM 1166 CD1 ILE A 78 11.675 -2.012 0.092 1.00 0.00 C ATOM 0 H ILE A 78 15.157 -0.983 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 78 13.959 -2.444 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 78 12.322 -0.604 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.916 -3.494 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.423 -2.859 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.436 -1.918 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.427 -1.169 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.599 -2.904 -3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.652 -2.751 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.185 -1.114 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.655 -1.760 -0.198 1.00 0.00 H new ATOM 1178 N ASP A 79 13.597 -0.266 -4.928 1.00 0.00 N ATOM 1179 CA ASP A 79 13.615 0.956 -5.709 1.00 0.00 C ATOM 1180 C ASP A 79 12.431 1.809 -5.279 1.00 0.00 C ATOM 1181 O ASP A 79 11.285 1.462 -5.556 1.00 0.00 O ATOM 1182 CB ASP A 79 13.538 0.646 -7.205 1.00 0.00 C ATOM 1183 CG ASP A 79 14.907 0.565 -7.852 1.00 0.00 C ATOM 1184 OD1 ASP A 79 15.680 -0.346 -7.491 1.00 0.00 O ATOM 1185 OD2 ASP A 79 15.206 1.415 -8.717 1.00 0.00 O ATOM 0 H ASP A 79 13.249 -1.085 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 79 14.547 1.493 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.014 -0.299 -7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.949 1.417 -7.703 1.00 0.00 H new ATOM 1190 N TYR A 80 12.713 2.898 -4.567 1.00 0.00 N ATOM 1191 CA TYR A 80 11.671 3.794 -4.052 1.00 0.00 C ATOM 1192 C TYR A 80 10.419 3.797 -4.927 1.00 0.00 C ATOM 1193 O TYR A 80 9.298 3.810 -4.419 1.00 0.00 O ATOM 1194 CB TYR A 80 12.218 5.216 -3.926 1.00 0.00 C ATOM 1195 CG TYR A 80 11.220 6.202 -3.361 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.540 5.933 -2.179 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.957 7.403 -4.010 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.628 6.831 -1.661 1.00 0.00 C ATOM 1199 CE2 TYR A 80 10.046 8.306 -3.495 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.384 8.016 -2.322 1.00 0.00 C ATOM 1201 OH TYR A 80 8.475 8.913 -1.808 1.00 0.00 O ATOM 0 H TYR A 80 13.662 3.186 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 80 11.381 3.419 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.102 5.201 -3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.540 5.561 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.728 5.006 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.472 7.634 -4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.108 6.606 -0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.854 9.236 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 80 8.421 9.697 -2.394 1.00 0.00 H new ATOM 1211 N LYS A 81 10.611 3.787 -6.241 1.00 0.00 N ATOM 1212 CA LYS A 81 9.489 3.789 -7.171 1.00 0.00 C ATOM 1213 C LYS A 81 8.671 2.508 -7.041 1.00 0.00 C ATOM 1214 O LYS A 81 7.457 2.557 -6.845 1.00 0.00 O ATOM 1215 CB LYS A 81 9.986 3.953 -8.609 1.00 0.00 C ATOM 1216 CG LYS A 81 10.275 5.396 -8.990 1.00 0.00 C ATOM 1217 CD LYS A 81 9.113 6.015 -9.751 1.00 0.00 C ATOM 1218 CE LYS A 81 8.085 6.615 -8.806 1.00 0.00 C ATOM 1219 NZ LYS A 81 7.497 7.870 -9.348 1.00 0.00 N ATOM 0 H LYS A 81 11.529 3.777 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 81 8.846 4.634 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.892 3.362 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.239 3.548 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.473 5.978 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.176 5.438 -9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.487 6.788 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.638 5.256 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.291 5.890 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.553 6.820 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.801 8.247 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.251 8.571 -9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.028 7.670 -10.254 1.00 0.00 H new ATOM 1233 N ALA A 82 9.341 1.363 -7.139 1.00 0.00 N ATOM 1234 CA ALA A 82 8.668 0.072 -7.020 1.00 0.00 C ATOM 1235 C ALA A 82 7.796 0.030 -5.770 1.00 0.00 C ATOM 1236 O ALA A 82 6.796 -0.686 -5.717 1.00 0.00 O ATOM 1237 CB ALA A 82 9.689 -1.056 -6.985 1.00 0.00 C ATOM 0 H ALA A 82 10.346 1.302 -7.300 1.00 0.00 H new ATOM 0 HA ALA A 82 8.027 -0.060 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.172 -2.012 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.275 -1.045 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.351 -0.921 -6.130 1.00 0.00 H new ATOM 1243 N PHE A 83 8.193 0.802 -4.764 1.00 0.00 N ATOM 1244 CA PHE A 83 7.462 0.860 -3.506 1.00 0.00 C ATOM 1245 C PHE A 83 6.451 2.003 -3.512 1.00 0.00 C ATOM 1246 O PHE A 83 5.364 1.886 -2.946 1.00 0.00 O ATOM 1247 CB PHE A 83 8.442 1.025 -2.346 1.00 0.00 C ATOM 1248 CG PHE A 83 8.335 -0.064 -1.320 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.393 -1.392 -1.703 1.00 0.00 C ATOM 1250 CD2 PHE A 83 8.177 0.237 0.022 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.298 -2.402 -0.769 1.00 0.00 C ATOM 1252 CE2 PHE A 83 8.080 -0.769 0.964 1.00 0.00 C ATOM 1253 CZ PHE A 83 8.142 -2.092 0.568 1.00 0.00 C ATOM 0 H PHE A 83 9.020 1.398 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 83 6.913 -0.073 -3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.459 1.046 -2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.266 1.987 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.514 -1.641 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.129 1.269 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.346 -3.434 -1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.956 -0.522 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.069 -2.881 1.302 1.00 0.00 H new ATOM 1263 N ALA A 84 6.817 3.107 -4.155 1.00 0.00 N ATOM 1264 CA ALA A 84 5.943 4.272 -4.235 1.00 0.00 C ATOM 1265 C ALA A 84 4.820 4.055 -5.247 1.00 0.00 C ATOM 1266 O ALA A 84 3.775 4.703 -5.175 1.00 0.00 O ATOM 1267 CB ALA A 84 6.747 5.511 -4.596 1.00 0.00 C ATOM 0 H ALA A 84 7.713 3.219 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 84 5.488 4.418 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.082 6.373 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.506 5.687 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.231 5.362 -5.561 1.00 0.00 H new ATOM 1273 N ALA A 85 5.040 3.143 -6.189 1.00 0.00 N ATOM 1274 CA ALA A 85 4.044 2.845 -7.212 1.00 0.00 C ATOM 1275 C ALA A 85 2.869 2.067 -6.647 1.00 0.00 C ATOM 1276 O ALA A 85 1.835 1.905 -7.294 1.00 0.00 O ATOM 1277 CB ALA A 85 4.678 2.083 -8.360 1.00 0.00 C ATOM 0 H ALA A 85 5.899 2.598 -6.265 1.00 0.00 H new ATOM 0 HA ALA A 85 3.661 3.795 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.922 1.868 -9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.472 2.685 -8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.096 1.147 -7.989 1.00 0.00 H new ATOM 1283 N MET A 86 3.049 1.597 -5.437 1.00 0.00 N ATOM 1284 CA MET A 86 2.022 0.830 -4.741 1.00 0.00 C ATOM 1285 C MET A 86 0.882 1.736 -4.290 1.00 0.00 C ATOM 1286 O MET A 86 -0.272 1.312 -4.223 1.00 0.00 O ATOM 1287 CB MET A 86 2.625 0.109 -3.534 1.00 0.00 C ATOM 1288 CG MET A 86 3.699 -0.901 -3.901 1.00 0.00 C ATOM 1289 SD MET A 86 3.013 -2.489 -4.412 1.00 0.00 S ATOM 1290 CE MET A 86 4.195 -2.982 -5.664 1.00 0.00 C ATOM 0 H MET A 86 3.906 1.730 -4.900 1.00 0.00 H new ATOM 0 HA MET A 86 1.622 0.090 -5.434 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.050 0.848 -2.855 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.829 -0.401 -2.991 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.311 -0.498 -4.707 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.358 -1.052 -3.046 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.906 -3.949 -6.076 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.213 -2.238 -6.461 1.00 0.00 H new ATOM 0 HE3 MET A 86 5.187 -3.059 -5.218 1.00 0.00 H new ATOM 1300 N LEU A 87 1.213 2.985 -3.985 1.00 0.00 N ATOM 1301 CA LEU A 87 0.216 3.956 -3.542 1.00 0.00 C ATOM 1302 C LEU A 87 -0.202 4.877 -4.667 1.00 0.00 C ATOM 1303 O LEU A 87 -1.120 5.687 -4.538 1.00 0.00 O ATOM 1304 CB LEU A 87 0.768 4.779 -2.389 1.00 0.00 C ATOM 1305 CG LEU A 87 1.077 3.992 -1.113 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.403 4.439 -0.517 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.047 4.151 -0.101 1.00 0.00 C ATOM 0 H LEU A 87 2.164 3.351 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.663 3.402 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.681 5.273 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.050 5.563 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 87 1.157 2.936 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.605 3.868 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.202 4.269 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.353 5.500 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.191 3.584 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.161 5.205 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.977 3.778 -0.529 1.00 0.00 H new ATOM 1319 N TYR A 88 0.488 4.728 -5.761 1.00 0.00 N ATOM 1320 CA TYR A 88 0.238 5.518 -6.961 1.00 0.00 C ATOM 1321 C TYR A 88 0.012 4.621 -8.174 1.00 0.00 C ATOM 1322 O TYR A 88 0.188 5.046 -9.316 1.00 0.00 O ATOM 1323 CB TYR A 88 1.409 6.467 -7.226 1.00 0.00 C ATOM 1324 CG TYR A 88 1.574 7.535 -6.168 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.498 8.320 -5.772 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.805 7.760 -5.566 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.644 9.298 -4.807 1.00 0.00 C ATOM 1328 CE2 TYR A 88 2.960 8.736 -4.599 1.00 0.00 C ATOM 1329 CZ TYR A 88 1.876 9.501 -4.225 1.00 0.00 C ATOM 1330 OH TYR A 88 2.027 10.474 -3.262 1.00 0.00 O ATOM 0 H TYR A 88 1.247 4.054 -5.859 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.667 6.103 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.329 5.886 -7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.266 6.946 -8.195 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.469 8.163 -6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.656 7.162 -5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.203 9.900 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.924 8.898 -4.140 1.00 0.00 H new ATOM 0 HH TYR A 88 2.957 10.487 -2.953 1.00 0.00 H new ATOM 1340 N SER A 89 -0.380 3.377 -7.919 1.00 0.00 N ATOM 1341 CA SER A 89 -0.630 2.419 -8.990 1.00 0.00 C ATOM 1342 C SER A 89 -2.030 2.606 -9.571 1.00 0.00 C ATOM 1343 O SER A 89 -3.005 2.067 -9.048 1.00 0.00 O ATOM 1344 CB SER A 89 -0.467 0.990 -8.473 1.00 0.00 C ATOM 1345 OG SER A 89 -0.741 0.914 -7.085 1.00 0.00 O ATOM 0 H SER A 89 -0.531 3.009 -6.980 1.00 0.00 H new ATOM 0 HA SER A 89 0.099 2.597 -9.780 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.139 0.325 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.549 0.644 -8.666 1.00 0.00 H new ATOM 0 HG SER A 89 0.081 1.086 -6.579 1.00 0.00 H new