USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.484 X(o=0.48,f=0) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00972 USER MOD Single : A 58 MET CE :methyl -174:sc= -4.52! (180deg=-5.08!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.64 USER MOD Single : A 64 THR OG1 : rot 78:sc= 0.512 USER MOD Single : A 73 ASN : amide:sc= -6.74! C(o=-6.7!,f=-17!) USER MOD Single : A 74 ASN : amide:sc= -1.02 K(o=-1,f=-1.9) USER MOD Single : A 75 THR OG1 : rot -49:sc= -0.0322 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00997) 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 -51:sc= 0.929 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.707 3.135 1.589 1.00 0.00 N ATOM 351 CA LYS A 25 -4.503 3.816 1.136 1.00 0.00 C ATOM 352 C LYS A 25 -4.123 4.936 2.098 1.00 0.00 C ATOM 353 O LYS A 25 -2.952 5.299 2.213 1.00 0.00 O ATOM 354 CB LYS A 25 -4.711 4.384 -0.270 1.00 0.00 C ATOM 355 CG LYS A 25 -3.421 4.804 -0.954 1.00 0.00 C ATOM 356 CD LYS A 25 -3.623 6.041 -1.814 1.00 0.00 C ATOM 357 CE LYS A 25 -3.147 7.299 -1.106 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.737 7.630 -1.448 1.00 0.00 N ATOM 0 HA LYS A 25 -3.690 3.090 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.211 3.636 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.377 5.244 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.658 5.003 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.053 3.986 -1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.082 5.924 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.679 6.142 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.792 8.134 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.237 7.165 -0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.451 8.494 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.118 6.844 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.655 7.784 -2.473 1.00 0.00 H new ATOM 372 N THR A 26 -5.121 5.483 2.788 1.00 0.00 N ATOM 373 CA THR A 26 -4.891 6.561 3.740 1.00 0.00 C ATOM 374 C THR A 26 -4.117 6.060 4.950 1.00 0.00 C ATOM 375 O THR A 26 -3.380 6.815 5.581 1.00 0.00 O ATOM 376 CB THR A 26 -6.209 7.206 4.170 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.311 6.397 3.800 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.417 8.576 3.558 1.00 0.00 C ATOM 0 H THR A 26 -6.096 5.196 2.704 1.00 0.00 H new ATOM 0 HA THR A 26 -4.290 7.322 3.243 1.00 0.00 H new ATOM 0 HB THR A 26 -6.148 7.307 5.254 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.144 6.828 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.368 8.986 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.607 9.238 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.426 8.491 2.471 1.00 0.00 H new ATOM 386 N GLN A 27 -4.257 4.776 5.257 1.00 0.00 N ATOM 387 CA GLN A 27 -3.531 4.190 6.375 1.00 0.00 C ATOM 388 C GLN A 27 -2.029 4.352 6.149 1.00 0.00 C ATOM 389 O GLN A 27 -1.240 4.349 7.094 1.00 0.00 O ATOM 390 CB GLN A 27 -3.885 2.710 6.530 1.00 0.00 C ATOM 391 CG GLN A 27 -3.300 2.071 7.779 1.00 0.00 C ATOM 392 CD GLN A 27 -4.028 0.805 8.181 1.00 0.00 C ATOM 393 OE1 GLN A 27 -4.418 0.639 9.338 1.00 0.00 O ATOM 394 NE2 GLN A 27 -4.218 -0.098 7.225 1.00 0.00 N ATOM 0 H GLN A 27 -4.861 4.127 4.753 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.816 4.707 7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.970 2.605 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.530 2.167 5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.248 1.842 7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.340 2.786 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.878 0.081 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.704 -0.970 7.436 1.00 0.00 H new ATOM 403 N LEU A 28 -1.652 4.499 4.880 1.00 0.00 N ATOM 404 CA LEU A 28 -0.257 4.672 4.494 1.00 0.00 C ATOM 405 C LEU A 28 0.147 6.138 4.511 1.00 0.00 C ATOM 406 O LEU A 28 1.324 6.483 4.417 1.00 0.00 O ATOM 407 CB LEU A 28 -0.037 4.095 3.102 1.00 0.00 C ATOM 408 CG LEU A 28 1.418 4.068 2.629 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.712 2.780 1.875 1.00 0.00 C ATOM 410 CD2 LEU A 28 1.718 5.279 1.758 1.00 0.00 C ATOM 0 H LEU A 28 -2.304 4.501 4.095 1.00 0.00 H new ATOM 0 HA LEU A 28 0.363 4.143 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.427 3.077 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.623 4.675 2.389 1.00 0.00 H new ATOM 0 HG LEU A 28 2.065 4.106 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.751 2.780 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.538 1.927 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.057 2.709 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.757 5.243 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.063 5.272 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.549 6.190 2.332 1.00 0.00 H new ATOM 422 N ILE A 29 -0.851 6.982 4.629 1.00 0.00 N ATOM 423 CA ILE A 29 -0.660 8.432 4.662 1.00 0.00 C ATOM 424 C ILE A 29 0.082 8.875 5.902 1.00 0.00 C ATOM 425 O ILE A 29 0.575 9.999 6.000 1.00 0.00 O ATOM 426 CB ILE A 29 -2.007 9.164 4.591 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.705 8.857 3.272 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.831 10.666 4.782 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.155 9.607 2.085 1.00 0.00 C ATOM 0 H ILE A 29 -1.826 6.692 4.706 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.059 8.689 3.789 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.635 8.804 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.631 7.787 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.765 9.090 3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.803 11.156 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.383 10.859 5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.181 11.059 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.710 9.328 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.254 10.679 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.102 9.357 1.952 1.00 0.00 H new ATOM 441 N GLU A 30 0.149 7.969 6.825 1.00 0.00 N ATOM 442 CA GLU A 30 0.827 8.189 8.095 1.00 0.00 C ATOM 443 C GLU A 30 2.337 8.067 7.954 1.00 0.00 C ATOM 444 O GLU A 30 3.081 8.181 8.927 1.00 0.00 O ATOM 445 CB GLU A 30 0.310 7.227 9.166 1.00 0.00 C ATOM 446 CG GLU A 30 -1.044 7.621 9.735 1.00 0.00 C ATOM 447 CD GLU A 30 -1.843 6.426 10.217 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.225 5.401 10.571 1.00 0.00 O ATOM 449 OE2 GLU A 30 -3.089 6.517 10.240 1.00 0.00 O ATOM 0 H GLU A 30 -0.265 7.041 6.732 1.00 0.00 H new ATOM 0 HA GLU A 30 0.603 9.209 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.239 6.226 8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.035 7.177 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.898 8.314 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.614 8.151 8.972 1.00 0.00 H new ATOM 456 N ALA A 31 2.770 7.834 6.734 1.00 0.00 N ATOM 457 CA ALA A 31 4.189 7.691 6.429 1.00 0.00 C ATOM 458 C ALA A 31 4.796 9.024 6.005 1.00 0.00 C ATOM 459 O ALA A 31 5.971 9.291 6.257 1.00 0.00 O ATOM 460 CB ALA A 31 4.392 6.647 5.343 1.00 0.00 C ATOM 0 H ALA A 31 2.157 7.738 5.925 1.00 0.00 H new ATOM 0 HA ALA A 31 4.699 7.361 7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.456 6.551 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.003 5.687 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.863 6.953 4.440 1.00 0.00 H new ATOM 466 N PHE A 32 3.987 9.858 5.359 1.00 0.00 N ATOM 467 CA PHE A 32 4.445 11.164 4.900 1.00 0.00 C ATOM 468 C PHE A 32 4.903 12.025 6.073 1.00 0.00 C ATOM 469 O PHE A 32 5.776 12.881 5.925 1.00 0.00 O ATOM 470 CB PHE A 32 3.331 11.879 4.132 1.00 0.00 C ATOM 471 CG PHE A 32 3.069 11.295 2.774 1.00 0.00 C ATOM 472 CD1 PHE A 32 4.091 11.185 1.844 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.803 10.855 2.427 1.00 0.00 C ATOM 474 CE1 PHE A 32 3.853 10.649 0.593 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.558 10.316 1.179 1.00 0.00 C ATOM 476 CZ PHE A 32 2.585 10.213 0.259 1.00 0.00 C ATOM 0 H PHE A 32 3.012 9.653 5.142 1.00 0.00 H new ATOM 0 HA PHE A 32 5.294 11.008 4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.413 11.840 4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.594 12.931 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.085 11.522 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.997 10.934 3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.657 10.571 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.566 9.976 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.397 9.793 -0.718 1.00 0.00 H new ATOM 486 N TYR A 33 4.308 11.795 7.240 1.00 0.00 N ATOM 487 CA TYR A 33 4.656 12.551 8.438 1.00 0.00 C ATOM 488 C TYR A 33 5.662 11.786 9.292 1.00 0.00 C ATOM 489 O TYR A 33 5.589 11.806 10.522 1.00 0.00 O ATOM 490 CB TYR A 33 3.399 12.854 9.257 1.00 0.00 C ATOM 491 CG TYR A 33 2.246 13.373 8.428 1.00 0.00 C ATOM 492 CD1 TYR A 33 2.145 14.723 8.112 1.00 0.00 C ATOM 493 CD2 TYR A 33 1.260 12.514 7.961 1.00 0.00 C ATOM 494 CE1 TYR A 33 1.092 15.201 7.355 1.00 0.00 C ATOM 495 CE2 TYR A 33 0.204 12.984 7.203 1.00 0.00 C ATOM 496 CZ TYR A 33 0.124 14.329 6.903 1.00 0.00 C ATOM 497 OH TYR A 33 -0.925 14.801 6.149 1.00 0.00 O ATOM 0 H TYR A 33 3.583 11.091 7.381 1.00 0.00 H new ATOM 0 HA TYR A 33 5.113 13.490 8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.085 11.947 9.773 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.644 13.589 10.024 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.901 15.409 8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.319 11.461 8.194 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.028 16.253 7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.555 12.302 6.847 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.517 14.057 5.910 1.00 0.00 H new ATOM 507 N ASN A 34 6.600 11.114 8.634 1.00 0.00 N ATOM 508 CA ASN A 34 7.622 10.344 9.332 1.00 0.00 C ATOM 509 C ASN A 34 8.809 10.060 8.418 1.00 0.00 C ATOM 510 O ASN A 34 9.483 9.038 8.557 1.00 0.00 O ATOM 511 CB ASN A 34 7.035 9.029 9.848 1.00 0.00 C ATOM 512 CG ASN A 34 7.595 8.637 11.201 1.00 0.00 C ATOM 513 OD1 ASN A 34 6.848 8.331 12.131 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.918 8.644 11.318 1.00 0.00 N ATOM 0 H ASN A 34 6.674 11.087 7.617 1.00 0.00 H new ATOM 0 HA ASN A 34 7.972 10.935 10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.951 9.121 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.241 8.236 9.129 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.353 8.389 12.205 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.499 8.904 10.521 1.00 0.00 H new ATOM 612 N PHE A 42 14.705 6.840 -2.539 1.00 0.00 N ATOM 613 CA PHE A 42 15.304 5.518 -2.414 1.00 0.00 C ATOM 614 C PHE A 42 15.554 5.171 -0.951 1.00 0.00 C ATOM 615 O PHE A 42 16.235 5.905 -0.236 1.00 0.00 O ATOM 616 CB PHE A 42 16.616 5.452 -3.199 1.00 0.00 C ATOM 617 CG PHE A 42 17.279 4.105 -3.155 1.00 0.00 C ATOM 618 CD1 PHE A 42 16.697 3.011 -3.777 1.00 0.00 C ATOM 619 CD2 PHE A 42 18.482 3.931 -2.491 1.00 0.00 C ATOM 620 CE1 PHE A 42 17.304 1.770 -3.738 1.00 0.00 C ATOM 621 CE2 PHE A 42 19.094 2.694 -2.448 1.00 0.00 C ATOM 622 CZ PHE A 42 18.505 1.612 -3.072 1.00 0.00 C ATOM 0 HA PHE A 42 14.606 4.790 -2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.421 5.717 -4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.304 6.199 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.758 3.130 -4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 42 18.947 4.773 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 42 16.841 0.926 -4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 42 20.032 2.573 -1.927 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.982 0.644 -3.040 1.00 0.00 H new ATOM 632 N VAL A 43 14.997 4.048 -0.512 1.00 0.00 N ATOM 633 CA VAL A 43 15.156 3.603 0.865 1.00 0.00 C ATOM 634 C VAL A 43 15.321 2.088 0.933 1.00 0.00 C ATOM 635 O VAL A 43 14.624 1.345 0.243 1.00 0.00 O ATOM 636 CB VAL A 43 13.953 4.022 1.733 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.662 3.448 1.168 1.00 0.00 C ATOM 638 CG2 VAL A 43 14.152 3.588 3.178 1.00 0.00 C ATOM 0 H VAL A 43 14.431 3.429 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 43 16.055 4.081 1.254 1.00 0.00 H new ATOM 0 HB VAL A 43 13.880 5.109 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.823 3.754 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.512 3.818 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.724 2.360 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.291 3.894 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.256 2.504 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.052 4.055 3.577 1.00 0.00 H new ATOM 648 N SER A 44 16.252 1.637 1.767 1.00 0.00 N ATOM 649 CA SER A 44 16.511 0.211 1.923 1.00 0.00 C ATOM 650 C SER A 44 15.558 -0.411 2.939 1.00 0.00 C ATOM 651 O SER A 44 15.115 0.250 3.877 1.00 0.00 O ATOM 652 CB SER A 44 17.960 -0.020 2.359 1.00 0.00 C ATOM 653 OG SER A 44 18.106 0.146 3.758 1.00 0.00 O ATOM 0 H SER A 44 16.839 2.238 2.345 1.00 0.00 H new ATOM 0 HA SER A 44 16.346 -0.269 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.272 -1.025 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.615 0.677 1.837 1.00 0.00 H new ATOM 0 HG SER A 44 19.040 -0.009 4.010 1.00 0.00 H new ATOM 659 N VAL A 45 15.252 -1.691 2.745 1.00 0.00 N ATOM 660 CA VAL A 45 14.356 -2.410 3.644 1.00 0.00 C ATOM 661 C VAL A 45 14.840 -2.321 5.088 1.00 0.00 C ATOM 662 O VAL A 45 14.105 -1.891 5.975 1.00 0.00 O ATOM 663 CB VAL A 45 14.243 -3.895 3.245 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.348 -4.653 4.212 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.727 -4.028 1.820 1.00 0.00 C ATOM 0 H VAL A 45 15.612 -2.251 1.972 1.00 0.00 H new ATOM 0 HA VAL A 45 13.376 -1.940 3.562 1.00 0.00 H new ATOM 0 HB VAL A 45 15.239 -4.335 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.286 -5.698 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.765 -4.592 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.351 -4.213 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.654 -5.083 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.742 -3.566 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.414 -3.530 1.136 1.00 0.00 H new ATOM 675 N GLU A 46 16.083 -2.735 5.310 1.00 0.00 N ATOM 676 CA GLU A 46 16.678 -2.710 6.643 1.00 0.00 C ATOM 677 C GLU A 46 16.425 -1.372 7.332 1.00 0.00 C ATOM 678 O GLU A 46 16.318 -1.302 8.557 1.00 0.00 O ATOM 679 CB GLU A 46 18.180 -2.980 6.555 1.00 0.00 C ATOM 680 CG GLU A 46 18.538 -4.142 5.641 1.00 0.00 C ATOM 681 CD GLU A 46 19.946 -4.654 5.871 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.851 -3.822 6.096 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.144 -5.886 5.825 1.00 0.00 O ATOM 0 H GLU A 46 16.701 -3.093 4.582 1.00 0.00 H new ATOM 0 HA GLU A 46 16.209 -3.493 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.682 -2.080 6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.563 -3.184 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.830 -4.955 5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.435 -3.827 4.603 1.00 0.00 H new ATOM 690 N GLU A 47 16.320 -0.314 6.535 1.00 0.00 N ATOM 691 CA GLU A 47 16.069 1.022 7.065 1.00 0.00 C ATOM 692 C GLU A 47 14.570 1.304 7.112 1.00 0.00 C ATOM 693 O GLU A 47 14.098 2.073 7.949 1.00 0.00 O ATOM 694 CB GLU A 47 16.772 2.076 6.210 1.00 0.00 C ATOM 695 CG GLU A 47 17.171 3.322 6.984 1.00 0.00 C ATOM 696 CD GLU A 47 18.085 4.234 6.190 1.00 0.00 C ATOM 697 OE1 GLU A 47 19.122 3.750 5.692 1.00 0.00 O ATOM 698 OE2 GLU A 47 17.763 5.435 6.068 1.00 0.00 O ATOM 0 H GLU A 47 16.405 -0.355 5.519 1.00 0.00 H new ATOM 0 HA GLU A 47 16.467 1.069 8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.663 1.634 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.115 2.363 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.274 3.871 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.670 3.027 7.907 1.00 0.00 H new ATOM 705 N PHE A 48 13.829 0.675 6.205 1.00 0.00 N ATOM 706 CA PHE A 48 12.384 0.850 6.137 1.00 0.00 C ATOM 707 C PHE A 48 11.705 0.253 7.366 1.00 0.00 C ATOM 708 O PHE A 48 10.738 0.811 7.885 1.00 0.00 O ATOM 709 CB PHE A 48 11.836 0.196 4.865 1.00 0.00 C ATOM 710 CG PHE A 48 10.895 1.072 4.091 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.888 1.772 4.736 1.00 0.00 C ATOM 712 CD2 PHE A 48 11.018 1.194 2.718 1.00 0.00 C ATOM 713 CE1 PHE A 48 9.022 2.578 4.024 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.154 1.999 1.999 1.00 0.00 C ATOM 715 CZ PHE A 48 9.154 2.693 2.654 1.00 0.00 C ATOM 0 H PHE A 48 14.208 0.037 5.505 1.00 0.00 H new ATOM 0 HA PHE A 48 12.169 1.918 6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.671 -0.082 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.321 -0.726 5.135 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.779 1.686 5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.798 0.654 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.241 3.119 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.260 2.085 0.928 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.478 3.324 2.096 1.00 0.00 H new ATOM 725 N ARG A 49 12.217 -0.885 7.826 1.00 0.00 N ATOM 726 CA ARG A 49 11.659 -1.558 8.994 1.00 0.00 C ATOM 727 C ARG A 49 11.656 -0.632 10.206 1.00 0.00 C ATOM 728 O ARG A 49 10.635 -0.470 10.874 1.00 0.00 O ATOM 729 CB ARG A 49 12.458 -2.824 9.309 1.00 0.00 C ATOM 730 CG ARG A 49 12.704 -3.707 8.097 1.00 0.00 C ATOM 731 CD ARG A 49 12.907 -5.159 8.498 1.00 0.00 C ATOM 732 NE ARG A 49 14.179 -5.363 9.188 1.00 0.00 N ATOM 733 CZ ARG A 49 14.563 -6.527 9.706 1.00 0.00 C ATOM 734 NH1 ARG A 49 13.779 -7.593 9.614 1.00 0.00 N ATOM 735 NH2 ARG A 49 15.736 -6.626 10.317 1.00 0.00 N ATOM 0 H ARG A 49 13.017 -1.360 7.408 1.00 0.00 H new ATOM 0 HA ARG A 49 10.629 -1.833 8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.417 -2.540 9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.926 -3.400 10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.858 -3.632 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.582 -3.351 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.089 -5.474 9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.871 -5.789 7.609 1.00 0.00 H new ATOM 0 HE ARG A 49 14.810 -4.566 9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.876 -7.523 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.079 -8.483 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.344 -5.810 10.390 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.030 -7.518 10.714 1.00 0.00 H new ATOM 749 N GLY A 50 12.805 -0.022 10.481 1.00 0.00 N ATOM 750 CA GLY A 50 12.913 0.884 11.610 1.00 0.00 C ATOM 751 C GLY A 50 11.896 2.008 11.548 1.00 0.00 C ATOM 752 O GLY A 50 11.513 2.566 12.577 1.00 0.00 O ATOM 0 H GLY A 50 13.663 -0.139 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.777 0.325 12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.917 1.307 11.638 1.00 0.00 H new ATOM 756 N ILE A 51 11.456 2.337 10.338 1.00 0.00 N ATOM 757 CA ILE A 51 10.476 3.398 10.144 1.00 0.00 C ATOM 758 C ILE A 51 9.056 2.866 10.313 1.00 0.00 C ATOM 759 O ILE A 51 8.219 3.501 10.953 1.00 0.00 O ATOM 760 CB ILE A 51 10.612 4.037 8.747 1.00 0.00 C ATOM 761 CG1 ILE A 51 12.061 4.457 8.494 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.681 5.234 8.618 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.404 4.587 7.026 1.00 0.00 C ATOM 0 H ILE A 51 11.763 1.884 9.477 1.00 0.00 H new ATOM 0 HA ILE A 51 10.671 4.157 10.902 1.00 0.00 H new ATOM 0 HB ILE A 51 10.329 3.298 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.246 5.411 8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.728 3.726 8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.789 5.674 7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.650 4.910 8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.936 5.977 9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.446 4.888 6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.251 3.628 6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.762 5.339 6.568 1.00 0.00 H new ATOM 775 N ILE A 52 8.794 1.698 9.737 1.00 0.00 N ATOM 776 CA ILE A 52 7.477 1.079 9.827 1.00 0.00 C ATOM 777 C ILE A 52 7.196 0.589 11.245 1.00 0.00 C ATOM 778 O ILE A 52 6.063 0.655 11.721 1.00 0.00 O ATOM 779 CB ILE A 52 7.345 -0.103 8.843 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.535 0.380 7.404 1.00 0.00 C ATOM 781 CG2 ILE A 52 5.994 -0.790 9.002 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.412 1.269 6.912 1.00 0.00 C ATOM 0 H ILE A 52 9.477 1.161 9.203 1.00 0.00 H new ATOM 0 HA ILE A 52 6.746 1.843 9.562 1.00 0.00 H new ATOM 0 HB ILE A 52 8.125 -0.829 9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.476 0.925 7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.617 -0.485 6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.923 -1.620 8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.895 -1.167 10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.196 -0.075 8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.613 1.574 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.471 0.721 6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.343 2.153 7.546 1.00 0.00 H new ATOM 794 N ARG A 53 8.234 0.094 11.912 1.00 0.00 N ATOM 795 CA ARG A 53 8.097 -0.410 13.274 1.00 0.00 C ATOM 796 C ARG A 53 7.474 0.641 14.188 1.00 0.00 C ATOM 797 O ARG A 53 6.546 0.350 14.944 1.00 0.00 O ATOM 798 CB ARG A 53 9.462 -0.832 13.822 1.00 0.00 C ATOM 799 CG ARG A 53 9.391 -1.494 15.189 1.00 0.00 C ATOM 800 CD ARG A 53 10.726 -1.424 15.912 1.00 0.00 C ATOM 801 NE ARG A 53 11.743 -2.252 15.268 1.00 0.00 N ATOM 802 CZ ARG A 53 13.050 -2.114 15.472 1.00 0.00 C ATOM 803 NH1 ARG A 53 13.506 -1.183 16.302 1.00 0.00 N ATOM 804 NH2 ARG A 53 13.906 -2.910 14.847 1.00 0.00 N ATOM 0 H ARG A 53 9.178 0.031 11.532 1.00 0.00 H new ATOM 0 HA ARG A 53 7.437 -1.277 13.247 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.930 -1.520 13.118 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.106 0.045 13.885 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.624 -1.007 15.791 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.092 -2.536 15.075 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.067 -0.389 15.943 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.596 -1.748 16.945 1.00 0.00 H new ATOM 0 HE ARG A 53 11.432 -2.979 14.624 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.853 -0.568 16.788 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.510 -1.083 16.454 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.562 -3.628 14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.908 -2.804 15.003 1.00 0.00 H new ATOM 818 N ASP A 54 7.989 1.864 14.112 1.00 0.00 N ATOM 819 CA ASP A 54 7.483 2.959 14.932 1.00 0.00 C ATOM 820 C ASP A 54 6.774 4.011 14.079 1.00 0.00 C ATOM 821 O ASP A 54 6.527 5.126 14.538 1.00 0.00 O ATOM 822 CB ASP A 54 8.628 3.610 15.710 1.00 0.00 C ATOM 823 CG ASP A 54 9.291 2.647 16.676 1.00 0.00 C ATOM 824 OD1 ASP A 54 9.142 1.421 16.488 1.00 0.00 O ATOM 825 OD2 ASP A 54 9.958 3.119 17.621 1.00 0.00 O ATOM 0 H ASP A 54 8.756 2.122 13.491 1.00 0.00 H new ATOM 0 HA ASP A 54 6.759 2.543 15.633 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.372 3.987 15.008 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.246 4.469 16.262 1.00 0.00 H new ATOM 830 N GLY A 55 6.451 3.656 12.837 1.00 0.00 N ATOM 831 CA GLY A 55 5.781 4.592 11.954 1.00 0.00 C ATOM 832 C GLY A 55 4.334 4.217 11.695 1.00 0.00 C ATOM 833 O GLY A 55 3.433 4.663 12.406 1.00 0.00 O ATOM 0 H GLY A 55 6.641 2.741 12.429 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.821 5.590 12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.316 4.637 11.005 1.00 0.00 H new ATOM 837 N LEU A 56 4.111 3.402 10.670 1.00 0.00 N ATOM 838 CA LEU A 56 2.764 2.974 10.312 1.00 0.00 C ATOM 839 C LEU A 56 2.491 1.553 10.799 1.00 0.00 C ATOM 840 O LEU A 56 3.372 0.694 10.757 1.00 0.00 O ATOM 841 CB LEU A 56 2.571 3.048 8.797 1.00 0.00 C ATOM 842 CG LEU A 56 2.895 4.406 8.170 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.333 4.435 7.673 1.00 0.00 C ATOM 844 CD2 LEU A 56 1.931 4.712 7.032 1.00 0.00 C ATOM 0 H LEU A 56 4.846 3.024 10.072 1.00 0.00 H new ATOM 0 HA LEU A 56 2.057 3.646 10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.198 2.289 8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.537 2.795 8.565 1.00 0.00 H new ATOM 0 HG LEU A 56 2.780 5.174 8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.545 5.408 7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.010 4.261 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.475 3.657 6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.176 5.681 6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.015 3.940 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.911 4.734 7.415 1.00 0.00 H new ATOM 856 N PRO A 57 1.260 1.284 11.268 1.00 0.00 N ATOM 857 CA PRO A 57 0.877 -0.042 11.758 1.00 0.00 C ATOM 858 C PRO A 57 0.635 -1.028 10.624 1.00 0.00 C ATOM 859 O PRO A 57 -0.328 -0.898 9.867 1.00 0.00 O ATOM 860 CB PRO A 57 -0.419 0.230 12.519 1.00 0.00 C ATOM 861 CG PRO A 57 -1.014 1.411 11.832 1.00 0.00 C ATOM 862 CD PRO A 57 0.143 2.247 11.353 1.00 0.00 C ATOM 0 HA PRO A 57 1.658 -0.498 12.367 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.089 -0.629 12.483 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.225 0.439 13.571 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.641 1.100 10.997 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.648 1.978 12.513 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.066 2.704 10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.365 3.058 12.047 1.00 0.00 H new ATOM 870 N MET A 58 1.517 -2.012 10.512 1.00 0.00 N ATOM 871 CA MET A 58 1.405 -3.022 9.469 1.00 0.00 C ATOM 872 C MET A 58 1.947 -4.363 9.953 1.00 0.00 C ATOM 873 O MET A 58 2.988 -4.423 10.608 1.00 0.00 O ATOM 874 CB MET A 58 2.162 -2.572 8.215 1.00 0.00 C ATOM 875 CG MET A 58 1.286 -2.469 6.977 1.00 0.00 C ATOM 876 SD MET A 58 2.094 -1.586 5.627 1.00 0.00 S ATOM 877 CE MET A 58 2.601 -2.948 4.579 1.00 0.00 C ATOM 0 H MET A 58 2.319 -2.132 11.131 1.00 0.00 H new ATOM 0 HA MET A 58 0.350 -3.145 9.224 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.621 -1.602 8.407 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.972 -3.274 8.019 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.018 -3.471 6.642 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.357 -1.960 7.235 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.207 -2.568 3.757 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.186 -3.658 5.163 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.719 -3.447 4.179 1.00 0.00 H new ATOM 887 N THR A 59 1.240 -5.435 9.622 1.00 0.00 N ATOM 888 CA THR A 59 1.658 -6.778 10.016 1.00 0.00 C ATOM 889 C THR A 59 2.828 -7.253 9.158 1.00 0.00 C ATOM 890 O THR A 59 2.900 -6.946 7.968 1.00 0.00 O ATOM 891 CB THR A 59 0.490 -7.759 9.892 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.438 -7.314 8.917 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.264 -7.958 11.188 1.00 0.00 C ATOM 0 H THR A 59 0.375 -5.403 9.082 1.00 0.00 H new ATOM 0 HA THR A 59 1.981 -6.741 11.056 1.00 0.00 H new ATOM 0 HB THR A 59 0.940 -8.709 9.603 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.176 -7.955 8.851 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.079 -8.665 11.030 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.414 -8.349 11.947 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.671 -7.004 11.522 1.00 0.00 H new ATOM 901 N GLU A 60 3.737 -8.011 9.770 1.00 0.00 N ATOM 902 CA GLU A 60 4.911 -8.544 9.072 1.00 0.00 C ATOM 903 C GLU A 60 4.563 -8.960 7.652 1.00 0.00 C ATOM 904 O GLU A 60 5.241 -8.596 6.698 1.00 0.00 O ATOM 905 CB GLU A 60 5.477 -9.747 9.827 1.00 0.00 C ATOM 906 CG GLU A 60 4.417 -10.609 10.499 1.00 0.00 C ATOM 907 CD GLU A 60 4.247 -10.281 11.971 1.00 0.00 C ATOM 908 OE1 GLU A 60 3.563 -9.284 12.281 1.00 0.00 O ATOM 909 OE2 GLU A 60 4.795 -11.023 12.811 1.00 0.00 O ATOM 0 H GLU A 60 3.684 -8.272 10.755 1.00 0.00 H new ATOM 0 HA GLU A 60 5.660 -7.753 9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.046 -10.364 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.176 -9.392 10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.464 -10.472 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.687 -11.660 10.393 1.00 0.00 H new ATOM 916 N ALA A 61 3.491 -9.720 7.529 1.00 0.00 N ATOM 917 CA ALA A 61 3.020 -10.194 6.243 1.00 0.00 C ATOM 918 C ALA A 61 2.930 -9.048 5.243 1.00 0.00 C ATOM 919 O ALA A 61 3.539 -9.095 4.181 1.00 0.00 O ATOM 920 CB ALA A 61 1.671 -10.867 6.415 1.00 0.00 C ATOM 0 H ALA A 61 2.923 -10.026 8.319 1.00 0.00 H new ATOM 0 HA ALA A 61 3.732 -10.920 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.316 -11.224 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.770 -11.710 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.957 -10.151 6.822 1.00 0.00 H new ATOM 926 N GLU A 62 2.182 -8.009 5.596 1.00 0.00 N ATOM 927 CA GLU A 62 2.040 -6.849 4.718 1.00 0.00 C ATOM 928 C GLU A 62 3.414 -6.336 4.306 1.00 0.00 C ATOM 929 O GLU A 62 3.762 -6.341 3.127 1.00 0.00 O ATOM 930 CB GLU A 62 1.256 -5.718 5.399 1.00 0.00 C ATOM 931 CG GLU A 62 0.351 -6.172 6.531 1.00 0.00 C ATOM 932 CD GLU A 62 -0.800 -5.218 6.779 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.737 -5.192 5.954 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.764 -4.497 7.799 1.00 0.00 O ATOM 0 H GLU A 62 1.668 -7.944 6.475 1.00 0.00 H new ATOM 0 HA GLU A 62 1.484 -7.168 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.963 -4.986 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.651 -5.209 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.045 -7.161 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.939 -6.270 7.444 1.00 0.00 H new ATOM 941 N ILE A 63 4.190 -5.904 5.294 1.00 0.00 N ATOM 942 CA ILE A 63 5.539 -5.391 5.046 1.00 0.00 C ATOM 943 C ILE A 63 6.407 -6.438 4.362 1.00 0.00 C ATOM 944 O ILE A 63 6.863 -6.243 3.240 1.00 0.00 O ATOM 945 CB ILE A 63 6.237 -4.957 6.351 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.254 -4.256 7.287 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.413 -4.047 6.042 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.796 -5.140 8.419 1.00 0.00 C ATOM 0 H ILE A 63 3.911 -5.897 6.275 1.00 0.00 H new ATOM 0 HA ILE A 63 5.423 -4.523 4.397 1.00 0.00 H new ATOM 0 HB ILE A 63 6.607 -5.851 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.724 -3.362 7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.387 -3.926 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.896 -3.748 6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.129 -4.578 5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.059 -3.160 5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.099 -4.590 9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.299 -6.022 8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.658 -5.449 9.011 1.00 0.00 H new ATOM 960 N THR A 64 6.632 -7.547 5.055 1.00 0.00 N ATOM 961 CA THR A 64 7.448 -8.640 4.533 1.00 0.00 C ATOM 962 C THR A 64 7.022 -9.028 3.124 1.00 0.00 C ATOM 963 O THR A 64 7.842 -9.073 2.208 1.00 0.00 O ATOM 964 CB THR A 64 7.331 -9.854 5.445 1.00 0.00 C ATOM 965 OG1 THR A 64 7.797 -9.555 6.749 1.00 0.00 O ATOM 966 CG2 THR A 64 8.098 -11.059 4.944 1.00 0.00 C ATOM 0 H THR A 64 6.258 -7.715 5.989 1.00 0.00 H new ATOM 0 HA THR A 64 8.482 -8.297 4.498 1.00 0.00 H new ATOM 0 HB THR A 64 6.269 -10.101 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.114 -9.043 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.971 -11.887 5.641 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.720 -11.349 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.156 -10.810 4.866 1.00 0.00 H new ATOM 974 N GLU A 65 5.733 -9.305 2.953 1.00 0.00 N ATOM 975 CA GLU A 65 5.216 -9.687 1.642 1.00 0.00 C ATOM 976 C GLU A 65 5.337 -8.537 0.668 1.00 0.00 C ATOM 977 O GLU A 65 5.249 -8.710 -0.547 1.00 0.00 O ATOM 978 CB GLU A 65 3.764 -10.149 1.729 1.00 0.00 C ATOM 979 CG GLU A 65 3.553 -11.332 2.660 1.00 0.00 C ATOM 980 CD GLU A 65 3.401 -12.642 1.913 1.00 0.00 C ATOM 981 OE1 GLU A 65 2.887 -12.619 0.774 1.00 0.00 O ATOM 982 OE2 GLU A 65 3.796 -13.690 2.465 1.00 0.00 O ATOM 0 H GLU A 65 5.034 -9.273 3.695 1.00 0.00 H new ATOM 0 HA GLU A 65 5.816 -10.522 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.147 -9.317 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.417 -10.417 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.397 -11.405 3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.664 -11.158 3.266 1.00 0.00 H new ATOM 989 N PHE A 66 5.555 -7.373 1.226 1.00 0.00 N ATOM 990 CA PHE A 66 5.715 -6.165 0.441 1.00 0.00 C ATOM 991 C PHE A 66 7.194 -5.873 0.202 1.00 0.00 C ATOM 992 O PHE A 66 7.555 -5.197 -0.759 1.00 0.00 O ATOM 993 CB PHE A 66 5.052 -4.970 1.135 1.00 0.00 C ATOM 994 CG PHE A 66 3.579 -4.840 0.848 1.00 0.00 C ATOM 995 CD1 PHE A 66 2.799 -5.962 0.611 1.00 0.00 C ATOM 996 CD2 PHE A 66 2.977 -3.592 0.819 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.448 -5.840 0.348 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.627 -3.464 0.556 1.00 0.00 C ATOM 999 CZ PHE A 66 0.861 -4.590 0.322 1.00 0.00 C ATOM 0 H PHE A 66 5.627 -7.231 2.234 1.00 0.00 H new ATOM 0 HA PHE A 66 5.226 -6.323 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.196 -5.061 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.556 -4.055 0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.253 -6.942 0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.571 -2.709 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.852 -6.721 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.171 -2.485 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.195 -4.493 0.119 1.00 0.00 H new ATOM 1009 N PHE A 67 8.045 -6.391 1.086 1.00 0.00 N ATOM 1010 CA PHE A 67 9.485 -6.189 0.972 1.00 0.00 C ATOM 1011 C PHE A 67 10.072 -7.086 -0.112 1.00 0.00 C ATOM 1012 O PHE A 67 11.047 -6.724 -0.771 1.00 0.00 O ATOM 1013 CB PHE A 67 10.166 -6.475 2.313 1.00 0.00 C ATOM 1014 CG PHE A 67 10.216 -5.302 3.257 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.257 -3.996 2.785 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.224 -5.513 4.627 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.304 -2.928 3.663 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.272 -4.449 5.508 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.312 -3.156 5.025 1.00 0.00 C ATOM 0 H PHE A 67 7.761 -6.953 1.888 1.00 0.00 H new ATOM 0 HA PHE A 67 9.664 -5.150 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.643 -7.296 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.184 -6.814 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.252 -3.812 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.192 -6.522 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.334 -1.917 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.278 -4.629 6.573 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.350 -2.324 5.712 1.00 0.00 H new ATOM 1029 N GLU A 68 9.470 -8.258 -0.292 1.00 0.00 N ATOM 1030 CA GLU A 68 9.933 -9.208 -1.297 1.00 0.00 C ATOM 1031 C GLU A 68 9.316 -8.902 -2.659 1.00 0.00 C ATOM 1032 O GLU A 68 9.920 -9.167 -3.698 1.00 0.00 O ATOM 1033 CB GLU A 68 9.587 -10.637 -0.877 1.00 0.00 C ATOM 1034 CG GLU A 68 9.904 -10.937 0.579 1.00 0.00 C ATOM 1035 CD GLU A 68 10.223 -12.399 0.817 1.00 0.00 C ATOM 1036 OE1 GLU A 68 9.275 -13.209 0.899 1.00 0.00 O ATOM 1037 OE2 GLU A 68 11.422 -12.737 0.920 1.00 0.00 O ATOM 0 H GLU A 68 8.661 -8.572 0.245 1.00 0.00 H new ATOM 0 HA GLU A 68 11.016 -9.114 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.525 -10.811 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.134 -11.335 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.751 -10.328 0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.055 -10.649 1.199 1.00 0.00 H new ATOM 1044 N ALA A 69 8.110 -8.343 -2.645 1.00 0.00 N ATOM 1045 CA ALA A 69 7.411 -8.002 -3.882 1.00 0.00 C ATOM 1046 C ALA A 69 8.001 -6.767 -4.539 1.00 0.00 C ATOM 1047 O ALA A 69 7.691 -6.439 -5.684 1.00 0.00 O ATOM 1048 CB ALA A 69 5.936 -7.791 -3.605 1.00 0.00 C ATOM 0 H ALA A 69 7.596 -8.116 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 69 7.534 -8.836 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.424 -7.537 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.509 -8.705 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.813 -6.978 -2.889 1.00 0.00 H new ATOM 1054 N ALA A 70 8.851 -6.103 -3.797 1.00 0.00 N ATOM 1055 CA ALA A 70 9.515 -4.894 -4.267 1.00 0.00 C ATOM 1056 C ALA A 70 10.931 -5.197 -4.745 1.00 0.00 C ATOM 1057 O ALA A 70 11.449 -4.534 -5.642 1.00 0.00 O ATOM 1058 CB ALA A 70 9.540 -3.843 -3.168 1.00 0.00 C ATOM 0 H ALA A 70 9.108 -6.378 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 70 8.949 -4.504 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.039 -2.946 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.519 -3.597 -2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.080 -4.232 -2.305 1.00 0.00 H new ATOM 1064 N ASP A 71 11.548 -6.207 -4.142 1.00 0.00 N ATOM 1065 CA ASP A 71 12.904 -6.602 -4.505 1.00 0.00 C ATOM 1066 C ASP A 71 12.941 -8.063 -4.952 1.00 0.00 C ATOM 1067 O ASP A 71 12.643 -8.964 -4.168 1.00 0.00 O ATOM 1068 CB ASP A 71 13.850 -6.395 -3.322 1.00 0.00 C ATOM 1069 CG ASP A 71 15.275 -6.118 -3.761 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.463 -5.670 -4.911 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.200 -6.349 -2.955 1.00 0.00 O ATOM 0 H ASP A 71 11.130 -6.767 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 71 13.230 -5.977 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.492 -5.563 -2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.834 -7.282 -2.688 1.00 0.00 H new ATOM 1076 N PRO A 72 13.307 -8.324 -6.222 1.00 0.00 N ATOM 1077 CA PRO A 72 13.376 -9.689 -6.755 1.00 0.00 C ATOM 1078 C PRO A 72 14.448 -10.526 -6.066 1.00 0.00 C ATOM 1079 O PRO A 72 14.186 -11.640 -5.615 1.00 0.00 O ATOM 1080 CB PRO A 72 13.724 -9.485 -8.234 1.00 0.00 C ATOM 1081 CG PRO A 72 14.350 -8.135 -8.300 1.00 0.00 C ATOM 1082 CD PRO A 72 13.681 -7.317 -7.231 1.00 0.00 C ATOM 0 HA PRO A 72 12.444 -10.232 -6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.409 -10.255 -8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.833 -9.538 -8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.425 -8.194 -8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.206 -7.686 -9.283 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.354 -6.565 -6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.809 -6.788 -7.615 1.00 0.00 H new ATOM 1090 N ASN A 73 15.657 -9.979 -5.986 1.00 0.00 N ATOM 1091 CA ASN A 73 16.769 -10.676 -5.349 1.00 0.00 C ATOM 1092 C ASN A 73 16.546 -10.791 -3.844 1.00 0.00 C ATOM 1093 O ASN A 73 16.961 -11.767 -3.218 1.00 0.00 O ATOM 1094 CB ASN A 73 18.089 -9.951 -5.631 1.00 0.00 C ATOM 1095 CG ASN A 73 17.979 -8.448 -5.460 1.00 0.00 C ATOM 1096 OD1 ASN A 73 17.204 -7.962 -4.636 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.752 -7.705 -6.242 1.00 0.00 N ATOM 0 H ASN A 73 15.891 -9.057 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 73 16.823 -11.681 -5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.859 -10.333 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 73 18.411 -10.174 -6.648 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.719 -6.688 -6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 73 19.380 -8.151 -6.911 1.00 0.00 H new ATOM 1104 N ASN A 74 15.888 -9.787 -3.270 1.00 0.00 N ATOM 1105 CA ASN A 74 15.605 -9.766 -1.838 1.00 0.00 C ATOM 1106 C ASN A 74 16.859 -9.421 -1.046 1.00 0.00 C ATOM 1107 O ASN A 74 17.252 -10.149 -0.133 1.00 0.00 O ATOM 1108 CB ASN A 74 15.041 -11.113 -1.372 1.00 0.00 C ATOM 1109 CG ASN A 74 14.002 -11.669 -2.326 1.00 0.00 C ATOM 1110 OD1 ASN A 74 14.295 -12.545 -3.141 1.00 0.00 O ATOM 1111 ND2 ASN A 74 12.779 -11.162 -2.229 1.00 0.00 N ATOM 0 H ASN A 74 15.539 -8.974 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 74 14.855 -8.996 -1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.856 -11.829 -1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.596 -10.995 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.038 -11.497 -2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.581 -10.437 -1.539 1.00 0.00 H new ATOM 1118 N THR A 75 17.482 -8.304 -1.401 1.00 0.00 N ATOM 1119 CA THR A 75 18.693 -7.861 -0.723 1.00 0.00 C ATOM 1120 C THR A 75 18.367 -6.806 0.328 1.00 0.00 C ATOM 1121 O THR A 75 19.192 -5.942 0.629 1.00 0.00 O ATOM 1122 CB THR A 75 19.695 -7.299 -1.732 1.00 0.00 C ATOM 1123 OG1 THR A 75 19.312 -5.999 -2.149 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.841 -8.153 -2.972 1.00 0.00 C ATOM 0 H THR A 75 17.169 -7.690 -2.153 1.00 0.00 H new ATOM 0 HA THR A 75 19.138 -8.723 -0.226 1.00 0.00 H new ATOM 0 HB THR A 75 20.651 -7.281 -1.209 1.00 0.00 H new ATOM 0 HG1 THR A 75 18.365 -6.003 -2.403 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.567 -7.696 -3.645 1.00 0.00 H new ATOM 0 HG22 THR A 75 20.184 -9.148 -2.690 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.878 -8.230 -3.476 1.00 0.00 H new ATOM 1132 N GLY A 76 17.162 -6.878 0.879 1.00 0.00 N ATOM 1133 CA GLY A 76 16.750 -5.919 1.885 1.00 0.00 C ATOM 1134 C GLY A 76 16.786 -4.495 1.371 1.00 0.00 C ATOM 1135 O GLY A 76 16.950 -3.552 2.145 1.00 0.00 O ATOM 0 H GLY A 76 16.463 -7.583 0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.740 -6.157 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.401 -6.006 2.755 1.00 0.00 H new ATOM 1139 N PHE A 77 16.634 -4.339 0.061 1.00 0.00 N ATOM 1140 CA PHE A 77 16.648 -3.018 -0.556 1.00 0.00 C ATOM 1141 C PHE A 77 15.431 -2.829 -1.455 1.00 0.00 C ATOM 1142 O PHE A 77 15.114 -3.690 -2.274 1.00 0.00 O ATOM 1143 CB PHE A 77 17.932 -2.820 -1.364 1.00 0.00 C ATOM 1144 CG PHE A 77 19.006 -2.080 -0.617 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.920 -2.764 0.170 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.100 -0.700 -0.700 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.906 -2.087 0.858 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.087 -0.017 -0.014 1.00 0.00 C ATOM 1149 CZ PHE A 77 20.991 -0.711 0.765 1.00 0.00 C ATOM 0 H PHE A 77 16.500 -5.110 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 77 16.612 -2.272 0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.316 -3.795 -1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.696 -2.275 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 77 19.859 -3.840 0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 77 18.395 -0.152 -1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 77 21.611 -2.632 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.151 1.059 -0.087 1.00 0.00 H new ATOM 0 HZ PHE A 77 21.763 -0.179 1.301 1.00 0.00 H new ATOM 1159 N ILE A 78 14.752 -1.700 -1.294 1.00 0.00 N ATOM 1160 CA ILE A 78 13.567 -1.402 -2.089 1.00 0.00 C ATOM 1161 C ILE A 78 13.850 -0.343 -3.141 1.00 0.00 C ATOM 1162 O ILE A 78 14.692 0.536 -2.952 1.00 0.00 O ATOM 1163 CB ILE A 78 12.402 -0.886 -1.215 1.00 0.00 C ATOM 1164 CG1 ILE A 78 11.950 -1.944 -0.214 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.218 -0.461 -2.077 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.795 -1.476 0.641 1.00 0.00 C ATOM 0 H ILE A 78 15.001 -0.976 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 78 13.288 -2.342 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 78 12.771 -0.020 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.658 -2.846 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.788 -2.213 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.412 -0.102 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.527 0.337 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.867 -1.313 -2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.513 -2.267 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.093 -0.590 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.945 -1.233 0.003 1.00 0.00 H new ATOM 1178 N ASP A 79 13.091 -0.404 -4.224 1.00 0.00 N ATOM 1179 CA ASP A 79 13.194 0.576 -5.286 1.00 0.00 C ATOM 1180 C ASP A 79 12.042 1.558 -5.128 1.00 0.00 C ATOM 1181 O ASP A 79 10.923 1.278 -5.550 1.00 0.00 O ATOM 1182 CB ASP A 79 13.136 -0.101 -6.658 1.00 0.00 C ATOM 1183 CG ASP A 79 14.508 -0.498 -7.165 1.00 0.00 C ATOM 1184 OD1 ASP A 79 15.307 -1.026 -6.362 1.00 0.00 O ATOM 1185 OD2 ASP A 79 14.784 -0.282 -8.364 1.00 0.00 O ATOM 0 H ASP A 79 12.393 -1.129 -4.388 1.00 0.00 H new ATOM 0 HA ASP A 79 14.149 1.098 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.504 -0.987 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.669 0.575 -7.374 1.00 0.00 H new ATOM 1190 N TYR A 80 12.320 2.686 -4.473 1.00 0.00 N ATOM 1191 CA TYR A 80 11.307 3.710 -4.201 1.00 0.00 C ATOM 1192 C TYR A 80 10.203 3.730 -5.258 1.00 0.00 C ATOM 1193 O TYR A 80 9.026 3.869 -4.930 1.00 0.00 O ATOM 1194 CB TYR A 80 11.959 5.089 -4.115 1.00 0.00 C ATOM 1195 CG TYR A 80 10.998 6.191 -3.725 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.293 6.133 -2.530 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.796 7.288 -4.554 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.413 7.137 -2.170 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.918 8.296 -4.202 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.230 8.215 -3.009 1.00 0.00 C ATOM 1201 OH TYR A 80 8.356 9.217 -2.656 1.00 0.00 O ATOM 0 H TYR A 80 13.248 2.916 -4.117 1.00 0.00 H new ATOM 0 HA TYR A 80 10.847 3.457 -3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.771 5.053 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.405 5.332 -5.080 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.434 5.289 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.334 7.354 -5.488 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.872 7.077 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.771 9.142 -4.857 1.00 0.00 H new ATOM 0 HH TYR A 80 8.344 9.903 -3.356 1.00 0.00 H new ATOM 1211 N LYS A 81 10.586 3.584 -6.521 1.00 0.00 N ATOM 1212 CA LYS A 81 9.617 3.580 -7.609 1.00 0.00 C ATOM 1213 C LYS A 81 8.712 2.359 -7.513 1.00 0.00 C ATOM 1214 O LYS A 81 7.490 2.486 -7.461 1.00 0.00 O ATOM 1215 CB LYS A 81 10.328 3.606 -8.963 1.00 0.00 C ATOM 1216 CG LYS A 81 11.399 4.680 -9.068 1.00 0.00 C ATOM 1217 CD LYS A 81 11.477 5.253 -10.473 1.00 0.00 C ATOM 1218 CE LYS A 81 10.730 6.573 -10.579 1.00 0.00 C ATOM 1219 NZ LYS A 81 11.485 7.691 -9.948 1.00 0.00 N ATOM 0 H LYS A 81 11.556 3.467 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 81 9.003 4.476 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.783 2.632 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.589 3.763 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.184 5.480 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.366 4.260 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.521 5.401 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.058 4.539 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.549 6.804 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.755 6.478 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.831 8.466 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.940 7.354 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.212 8.035 -10.608 1.00 0.00 H new ATOM 1233 N ALA A 82 9.316 1.176 -7.472 1.00 0.00 N ATOM 1234 CA ALA A 82 8.556 -0.066 -7.361 1.00 0.00 C ATOM 1235 C ALA A 82 7.606 -0.003 -6.172 1.00 0.00 C ATOM 1236 O ALA A 82 6.556 -0.647 -6.164 1.00 0.00 O ATOM 1237 CB ALA A 82 9.497 -1.254 -7.224 1.00 0.00 C ATOM 0 H ALA A 82 10.327 1.050 -7.514 1.00 0.00 H new ATOM 0 HA ALA A 82 7.967 -0.193 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.915 -2.172 -7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.142 -1.310 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.109 -1.132 -6.330 1.00 0.00 H new ATOM 1243 N PHE A 83 7.988 0.781 -5.167 1.00 0.00 N ATOM 1244 CA PHE A 83 7.181 0.941 -3.968 1.00 0.00 C ATOM 1245 C PHE A 83 6.186 2.086 -4.132 1.00 0.00 C ATOM 1246 O PHE A 83 5.083 2.048 -3.587 1.00 0.00 O ATOM 1247 CB PHE A 83 8.085 1.194 -2.759 1.00 0.00 C ATOM 1248 CG PHE A 83 7.921 0.172 -1.674 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.223 -1.157 -1.913 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.462 0.538 -0.419 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.073 -2.104 -0.922 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.308 -0.406 0.578 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.613 -1.730 0.326 1.00 0.00 C ATOM 0 H PHE A 83 8.856 1.316 -5.163 1.00 0.00 H new ATOM 0 HA PHE A 83 6.618 0.022 -3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.125 1.203 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.870 2.183 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.580 -1.456 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.222 1.572 -0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.315 -3.138 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.950 -0.110 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.492 -2.471 1.103 1.00 0.00 H new ATOM 1263 N ALA A 84 6.586 3.104 -4.889 1.00 0.00 N ATOM 1264 CA ALA A 84 5.733 4.263 -5.128 1.00 0.00 C ATOM 1265 C ALA A 84 4.676 3.962 -6.185 1.00 0.00 C ATOM 1266 O ALA A 84 3.583 4.528 -6.162 1.00 0.00 O ATOM 1267 CB ALA A 84 6.574 5.459 -5.547 1.00 0.00 C ATOM 0 H ALA A 84 7.496 3.149 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 84 5.219 4.501 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.925 6.317 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.286 5.698 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.115 5.220 -6.463 1.00 0.00 H new ATOM 1273 N ALA A 85 5.007 3.068 -7.110 1.00 0.00 N ATOM 1274 CA ALA A 85 4.084 2.696 -8.175 1.00 0.00 C ATOM 1275 C ALA A 85 2.969 1.801 -7.662 1.00 0.00 C ATOM 1276 O ALA A 85 1.978 1.557 -8.347 1.00 0.00 O ATOM 1277 CB ALA A 85 4.830 2.014 -9.308 1.00 0.00 C ATOM 0 H ALA A 85 5.906 2.588 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 85 3.628 3.611 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.127 1.742 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.581 2.694 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.319 1.115 -8.933 1.00 0.00 H new ATOM 1283 N MET A 86 3.148 1.331 -6.453 1.00 0.00 N ATOM 1284 CA MET A 86 2.176 0.461 -5.803 1.00 0.00 C ATOM 1285 C MET A 86 0.904 1.234 -5.476 1.00 0.00 C ATOM 1286 O MET A 86 -0.203 0.781 -5.764 1.00 0.00 O ATOM 1287 CB MET A 86 2.766 -0.138 -4.525 1.00 0.00 C ATOM 1288 CG MET A 86 3.493 -1.453 -4.751 1.00 0.00 C ATOM 1289 SD MET A 86 3.275 -2.610 -3.386 1.00 0.00 S ATOM 1290 CE MET A 86 4.854 -3.456 -3.403 1.00 0.00 C ATOM 0 H MET A 86 3.969 1.536 -5.884 1.00 0.00 H new ATOM 0 HA MET A 86 1.928 -0.349 -6.489 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.458 0.579 -4.083 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.965 -0.295 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.131 -1.911 -5.672 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.556 -1.257 -4.890 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.874 -4.206 -2.612 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.996 -3.943 -4.368 1.00 0.00 H new ATOM 0 HE3 MET A 86 5.655 -2.735 -3.239 1.00 0.00 H new ATOM 1300 N LEU A 87 1.073 2.410 -4.881 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.061 3.254 -4.524 1.00 0.00 C ATOM 1302 C LEU A 87 -0.526 4.073 -5.710 1.00 0.00 C ATOM 1303 O LEU A 87 -1.550 4.755 -5.667 1.00 0.00 O ATOM 1304 CB LEU A 87 0.315 4.181 -3.379 1.00 0.00 C ATOM 1305 CG LEU A 87 0.625 3.486 -2.051 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.126 3.316 -1.875 1.00 0.00 C ATOM 1307 CD2 LEU A 87 0.035 4.269 -0.889 1.00 0.00 C ATOM 0 H LEU A 87 1.983 2.800 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.878 2.604 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.186 4.765 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.502 4.885 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 87 0.168 2.497 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.327 2.820 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.522 2.711 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.606 4.294 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.265 3.760 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.462 5.272 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.046 4.338 -1.008 1.00 0.00 H new ATOM 1319 N TYR A 88 0.246 3.978 -6.754 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.029 4.685 -8.000 1.00 0.00 C ATOM 1321 C TYR A 88 -0.214 3.711 -9.159 1.00 0.00 C ATOM 1322 O TYR A 88 -0.064 4.081 -10.324 1.00 0.00 O ATOM 1323 CB TYR A 88 1.102 5.666 -8.316 1.00 0.00 C ATOM 1324 CG TYR A 88 1.325 6.703 -7.238 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.253 7.340 -6.627 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.609 7.042 -6.831 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.454 8.288 -5.641 1.00 0.00 C ATOM 1328 CE2 TYR A 88 2.818 7.988 -5.845 1.00 0.00 C ATOM 1329 CZ TYR A 88 1.737 8.608 -5.255 1.00 0.00 C ATOM 1330 OH TYR A 88 1.942 9.551 -4.273 1.00 0.00 O ATOM 0 H TYR A 88 1.092 3.408 -6.779 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.958 5.240 -7.871 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.025 5.106 -8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.880 6.173 -9.255 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.754 7.091 -6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.458 6.559 -7.292 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.390 8.775 -5.176 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.822 8.240 -5.538 1.00 0.00 H new ATOM 0 HH TYR A 88 2.904 9.659 -4.118 1.00 0.00 H new ATOM 1340 N SER A 89 -0.547 2.466 -8.834 1.00 0.00 N ATOM 1341 CA SER A 89 -0.759 1.441 -9.852 1.00 0.00 C ATOM 1342 C SER A 89 -2.243 1.316 -10.201 1.00 0.00 C ATOM 1343 O SER A 89 -2.692 0.277 -10.685 1.00 0.00 O ATOM 1344 CB SER A 89 -0.217 0.091 -9.370 1.00 0.00 C ATOM 1345 OG SER A 89 -0.728 -0.978 -10.148 1.00 0.00 O ATOM 0 H SER A 89 -0.676 2.142 -7.875 1.00 0.00 H new ATOM 0 HA SER A 89 -0.219 1.740 -10.750 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.872 0.094 -9.423 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.484 -0.058 -8.324 1.00 0.00 H new ATOM 0 HG SER A 89 -1.704 -0.906 -10.201 1.00 0.00 H new