USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 411 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 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.821 F(o=-2.3!,f=-0.82) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -15! C(o=-16!,f=-15!) USER MOD Single : A 39 ASN : amide:sc= -0.232 K(o=-0.23,f=-1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.333 USER MOD Single : A 49 MET CE :methyl 168:sc= 0 (180deg=-0.23) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -6.95! C(o=-6.9!,f=-6.9!) USER MOD Single : A 60 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= -2.99! (180deg=-3.14!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0265 F(o=-1.6,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 7.115 1.640 -0.520 1.00 0.00 N ATOM 363 CA VAL A 26 7.143 3.064 -0.203 1.00 0.00 C ATOM 364 C VAL A 26 5.756 3.577 0.160 1.00 0.00 C ATOM 365 O VAL A 26 5.599 4.382 1.079 1.00 0.00 O ATOM 366 CB VAL A 26 7.724 3.891 -1.375 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.692 4.161 -2.465 1.00 0.00 C ATOM 368 CG2 VAL A 26 8.317 5.195 -0.861 1.00 0.00 C ATOM 0 HA VAL A 26 7.795 3.187 0.662 1.00 0.00 H new ATOM 0 HB VAL A 26 8.515 3.294 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.150 4.744 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.332 3.214 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.855 4.718 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.722 5.765 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.540 5.778 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.115 4.977 -0.151 1.00 0.00 H new ATOM 378 N LEU A 27 4.752 3.102 -0.569 1.00 0.00 N ATOM 379 CA LEU A 27 3.372 3.512 -0.332 1.00 0.00 C ATOM 380 C LEU A 27 3.037 3.472 1.157 1.00 0.00 C ATOM 381 O LEU A 27 2.516 4.439 1.707 1.00 0.00 O ATOM 382 CB LEU A 27 2.402 2.606 -1.097 1.00 0.00 C ATOM 383 CG LEU A 27 2.403 2.775 -2.619 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.279 1.965 -3.244 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.283 4.243 -2.997 1.00 0.00 C ATOM 0 H LEU A 27 4.868 2.432 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 27 3.266 4.536 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.641 1.568 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.393 2.791 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 27 3.351 2.402 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.294 2.096 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.414 0.910 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.322 2.307 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.286 4.341 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.352 4.646 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.125 4.796 -2.581 1.00 0.00 H new ATOM 397 N GLY A 28 3.339 2.344 1.798 1.00 0.00 N ATOM 398 CA GLY A 28 3.061 2.191 3.215 1.00 0.00 C ATOM 399 C GLY A 28 3.799 3.201 4.075 1.00 0.00 C ATOM 400 O GLY A 28 3.194 3.873 4.909 1.00 0.00 O ATOM 0 H GLY A 28 3.772 1.532 1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.989 2.293 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.338 1.184 3.528 1.00 0.00 H new ATOM 404 N GLU A 29 5.109 3.317 3.872 1.00 0.00 N ATOM 405 CA GLU A 29 5.913 4.261 4.642 1.00 0.00 C ATOM 406 C GLU A 29 5.351 5.671 4.502 1.00 0.00 C ATOM 407 O GLU A 29 5.049 6.332 5.496 1.00 0.00 O ATOM 408 CB GLU A 29 7.368 4.225 4.169 1.00 0.00 C ATOM 409 CG GLU A 29 8.072 2.910 4.462 1.00 0.00 C ATOM 410 CD GLU A 29 8.754 2.902 5.816 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.134 3.993 6.295 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.909 1.810 6.397 1.00 0.00 O ATOM 0 H GLU A 29 5.633 2.773 3.186 1.00 0.00 H new ATOM 0 HA GLU A 29 5.878 3.973 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.397 4.411 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.917 5.036 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.347 2.097 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.812 2.718 3.685 1.00 0.00 H new ATOM 419 N ARG A 30 5.206 6.122 3.262 1.00 0.00 N ATOM 420 CA ARG A 30 4.664 7.446 2.988 1.00 0.00 C ATOM 421 C ARG A 30 3.208 7.539 3.443 1.00 0.00 C ATOM 422 O ARG A 30 2.679 8.631 3.643 1.00 0.00 O ATOM 423 CB ARG A 30 4.762 7.766 1.492 1.00 0.00 C ATOM 424 CG ARG A 30 6.140 7.509 0.903 1.00 0.00 C ATOM 425 CD ARG A 30 7.157 8.525 1.400 1.00 0.00 C ATOM 426 NE ARG A 30 8.347 8.562 0.554 1.00 0.00 N ATOM 427 CZ ARG A 30 8.346 8.979 -0.709 1.00 0.00 C ATOM 428 NH1 ARG A 30 7.228 9.421 -1.271 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.470 8.961 -1.414 1.00 0.00 N ATOM 0 H ARG A 30 5.457 5.589 2.429 1.00 0.00 H new ATOM 0 HA ARG A 30 5.252 8.174 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.028 7.168 0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.498 8.812 1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.469 6.504 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.085 7.550 -0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.699 9.514 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.446 8.280 2.422 1.00 0.00 H new ATOM 0 HE ARG A 30 9.231 8.250 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.361 9.443 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.236 9.739 -2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.334 8.627 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.470 9.281 -2.383 1.00 0.00 H new ATOM 443 N LEU A 31 2.570 6.382 3.600 1.00 0.00 N ATOM 444 CA LEU A 31 1.179 6.320 4.021 1.00 0.00 C ATOM 445 C LEU A 31 1.015 6.771 5.466 1.00 0.00 C ATOM 446 O LEU A 31 0.311 7.736 5.764 1.00 0.00 O ATOM 447 CB LEU A 31 0.676 4.887 3.883 1.00 0.00 C ATOM 448 CG LEU A 31 -0.595 4.726 3.068 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.288 4.101 1.716 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.609 3.895 3.839 1.00 0.00 C ATOM 0 H LEU A 31 3.000 5.471 3.440 1.00 0.00 H new ATOM 0 HA LEU A 31 0.600 6.991 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.461 4.285 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.504 4.481 4.880 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.026 5.711 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.211 3.994 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.404 4.741 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.164 3.120 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.517 3.786 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.190 2.910 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.848 4.393 4.779 1.00 0.00 H new ATOM 462 N TYR A 32 1.670 6.048 6.361 1.00 0.00 N ATOM 463 CA TYR A 32 1.614 6.326 7.790 1.00 0.00 C ATOM 464 C TYR A 32 1.854 7.805 8.083 1.00 0.00 C ATOM 465 O TYR A 32 1.307 8.352 9.034 1.00 0.00 O ATOM 466 CB TYR A 32 2.660 5.454 8.498 1.00 0.00 C ATOM 467 CG TYR A 32 2.419 5.226 9.974 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.740 6.200 10.910 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.889 4.026 10.436 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.540 5.988 12.261 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.683 3.807 11.785 1.00 0.00 C ATOM 472 CZ TYR A 32 2.009 4.790 12.692 1.00 0.00 C ATOM 473 OH TYR A 32 1.810 4.574 14.036 1.00 0.00 O ATOM 0 H TYR A 32 2.257 5.250 6.118 1.00 0.00 H new ATOM 0 HA TYR A 32 0.618 6.088 8.162 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.699 4.486 7.999 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.639 5.917 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.153 7.140 10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.634 3.251 9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.798 6.756 12.975 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.269 2.870 12.126 1.00 0.00 H new ATOM 0 HH TYR A 32 1.428 3.681 14.171 1.00 0.00 H new ATOM 483 N ASN A 33 2.681 8.444 7.264 1.00 0.00 N ATOM 484 CA ASN A 33 3.004 9.860 7.438 1.00 0.00 C ATOM 485 C ASN A 33 1.801 10.747 7.156 1.00 0.00 C ATOM 486 O ASN A 33 1.585 11.752 7.835 1.00 0.00 O ATOM 487 CB ASN A 33 4.162 10.236 6.505 1.00 0.00 C ATOM 488 CG ASN A 33 4.332 11.738 6.329 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.404 12.363 5.602 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 5.286 12.326 6.834 1.00 0.00 N flip ATOM 0 H ASN A 33 3.143 8.004 6.468 1.00 0.00 H new ATOM 0 HA ASN A 33 3.296 10.019 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.088 9.817 6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.996 9.780 5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.972 11.808 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.391 13.332 6.704 1.00 0.00 H new ATOM 497 N HIS A 34 1.036 10.390 6.141 1.00 0.00 N ATOM 498 CA HIS A 34 -0.126 11.175 5.772 1.00 0.00 C ATOM 499 C HIS A 34 -1.146 11.184 6.898 1.00 0.00 C ATOM 500 O HIS A 34 -1.796 12.192 7.163 1.00 0.00 O ATOM 501 CB HIS A 34 -0.755 10.622 4.486 1.00 0.00 C ATOM 502 CG HIS A 34 -1.569 9.372 4.664 1.00 0.00 C ATOM 503 ND1 HIS A 34 -2.588 9.112 5.502 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.378 8.219 3.933 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -2.998 7.828 5.276 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.253 7.304 4.326 1.00 0.00 N flip ATOM 0 H HIS A 34 1.197 9.567 5.561 1.00 0.00 H new ATOM 0 HA HIS A 34 0.195 12.201 5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.391 11.393 4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.040 10.421 3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.634 8.083 3.162 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.802 7.325 5.793 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.335 6.357 3.956 1.00 0.00 H new ATOM 515 N ILE A 35 -1.309 10.025 7.512 1.00 0.00 N ATOM 516 CA ILE A 35 -2.288 9.838 8.581 1.00 0.00 C ATOM 517 C ILE A 35 -1.701 9.974 9.990 1.00 0.00 C ATOM 518 O ILE A 35 -2.418 10.337 10.917 1.00 0.00 O ATOM 519 CB ILE A 35 -2.987 8.466 8.456 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.884 8.202 9.667 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.966 7.353 8.288 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.143 7.439 9.327 1.00 0.00 C ATOM 0 H ILE A 35 -0.771 9.187 7.289 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.010 10.645 8.452 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.616 8.486 7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.319 7.643 10.413 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.157 9.154 10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.481 6.396 8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.379 7.531 7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.305 7.332 9.154 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.732 7.287 10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.729 8.007 8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.878 6.472 8.900 1.00 0.00 H new ATOM 534 N VAL A 36 -0.419 9.663 10.175 1.00 0.00 N ATOM 535 CA VAL A 36 0.174 9.757 11.511 1.00 0.00 C ATOM 536 C VAL A 36 -0.126 11.117 12.140 1.00 0.00 C ATOM 537 O VAL A 36 -0.575 11.199 13.282 1.00 0.00 O ATOM 538 CB VAL A 36 1.700 9.520 11.507 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.409 10.548 10.638 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.248 9.548 12.929 1.00 0.00 C ATOM 0 H VAL A 36 0.216 9.352 9.440 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.282 8.964 12.104 1.00 0.00 H new ATOM 0 HB VAL A 36 1.889 8.534 11.083 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.482 10.359 10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.041 10.475 9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.212 11.548 11.024 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.325 9.379 12.907 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.042 10.519 13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.770 8.766 13.519 1.00 0.00 H new ATOM 550 N ALA A 37 0.120 12.177 11.380 1.00 0.00 N ATOM 551 CA ALA A 37 -0.127 13.532 11.851 1.00 0.00 C ATOM 552 C ALA A 37 -1.624 13.833 11.880 1.00 0.00 C ATOM 553 O ALA A 37 -2.086 14.655 12.669 1.00 0.00 O ATOM 554 CB ALA A 37 0.595 14.534 10.966 1.00 0.00 C ATOM 0 H ALA A 37 0.492 12.123 10.432 1.00 0.00 H new ATOM 0 HA ALA A 37 0.257 13.617 12.867 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.403 15.544 11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.667 14.337 10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.234 14.441 9.942 1.00 0.00 H new ATOM 560 N ILE A 38 -2.371 13.171 11.003 1.00 0.00 N ATOM 561 CA ILE A 38 -3.816 13.384 10.922 1.00 0.00 C ATOM 562 C ILE A 38 -4.592 12.499 11.895 1.00 0.00 C ATOM 563 O ILE A 38 -5.216 12.992 12.833 1.00 0.00 O ATOM 564 CB ILE A 38 -4.338 13.141 9.493 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.489 13.924 8.492 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.807 13.537 9.384 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.313 15.381 8.852 1.00 0.00 C ATOM 0 H ILE A 38 -2.005 12.486 10.341 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.982 14.425 11.199 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.259 12.078 9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.507 13.456 8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.950 13.856 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.158 13.358 8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.397 12.942 10.081 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.918 14.594 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.700 15.871 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.289 15.865 8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.824 15.459 9.823 1.00 0.00 H new ATOM 579 N ASN A 39 -4.550 11.193 11.667 1.00 0.00 N ATOM 580 CA ASN A 39 -5.251 10.243 12.522 1.00 0.00 C ATOM 581 C ASN A 39 -4.280 9.238 13.137 1.00 0.00 C ATOM 582 O ASN A 39 -4.136 8.117 12.647 1.00 0.00 O ATOM 583 CB ASN A 39 -6.332 9.510 11.724 1.00 0.00 C ATOM 584 CG ASN A 39 -7.623 9.358 12.504 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.630 9.998 12.196 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.600 8.509 13.525 1.00 0.00 N ATOM 0 H ASN A 39 -4.037 10.766 10.896 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.722 10.800 13.332 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.530 10.055 10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.964 8.524 11.440 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.438 8.367 14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.744 7.999 13.745 1.00 0.00 H new ATOM 593 N PRO A 40 -3.593 9.633 14.225 1.00 0.00 N ATOM 594 CA PRO A 40 -2.628 8.768 14.911 1.00 0.00 C ATOM 595 C PRO A 40 -3.214 7.408 15.272 1.00 0.00 C ATOM 596 O PRO A 40 -2.544 6.384 15.157 1.00 0.00 O ATOM 597 CB PRO A 40 -2.288 9.551 16.181 1.00 0.00 C ATOM 598 CG PRO A 40 -2.546 10.974 15.827 1.00 0.00 C ATOM 599 CD PRO A 40 -3.705 10.955 14.869 1.00 0.00 C ATOM 0 HA PRO A 40 -1.766 8.548 14.282 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.907 9.233 17.020 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.250 9.398 16.475 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.782 11.561 16.715 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.668 11.428 15.369 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.657 11.070 15.387 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.638 11.764 14.141 1.00 0.00 H new ATOM 607 N ALA A 41 -4.469 7.403 15.712 1.00 0.00 N ATOM 608 CA ALA A 41 -5.138 6.165 16.092 1.00 0.00 C ATOM 609 C ALA A 41 -5.808 5.509 14.888 1.00 0.00 C ATOM 610 O ALA A 41 -6.969 5.105 14.953 1.00 0.00 O ATOM 611 CB ALA A 41 -6.153 6.430 17.193 1.00 0.00 C ATOM 0 H ALA A 41 -5.041 8.241 15.814 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.385 5.474 16.471 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.645 5.497 17.467 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.645 6.842 18.065 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.898 7.142 16.838 1.00 0.00 H new ATOM 617 N ALA A 42 -5.060 5.399 13.795 1.00 0.00 N ATOM 618 CA ALA A 42 -5.566 4.783 12.579 1.00 0.00 C ATOM 619 C ALA A 42 -4.419 4.328 11.690 1.00 0.00 C ATOM 620 O ALA A 42 -4.451 3.228 11.146 1.00 0.00 O ATOM 621 CB ALA A 42 -6.474 5.740 11.827 1.00 0.00 C ATOM 0 H ALA A 42 -4.098 5.731 13.729 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.151 3.908 12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.841 5.258 10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.318 6.013 12.460 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.916 6.637 11.560 1.00 0.00 H new ATOM 627 N ALA A 43 -3.402 5.185 11.552 1.00 0.00 N ATOM 628 CA ALA A 43 -2.230 4.875 10.730 1.00 0.00 C ATOM 629 C ALA A 43 -1.884 3.392 10.812 1.00 0.00 C ATOM 630 O ALA A 43 -1.752 2.717 9.792 1.00 0.00 O ATOM 631 CB ALA A 43 -1.042 5.718 11.170 1.00 0.00 C ATOM 0 H ALA A 43 -3.368 6.100 12.000 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.468 5.112 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.177 5.479 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.285 6.775 11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.812 5.505 12.214 1.00 0.00 H new ATOM 637 N ALA A 44 -1.740 2.896 12.036 1.00 0.00 N ATOM 638 CA ALA A 44 -1.412 1.495 12.263 1.00 0.00 C ATOM 639 C ALA A 44 -2.353 0.570 11.498 1.00 0.00 C ATOM 640 O ALA A 44 -1.920 -0.413 10.896 1.00 0.00 O ATOM 641 CB ALA A 44 -1.457 1.182 13.752 1.00 0.00 C ATOM 0 H ALA A 44 -1.846 3.446 12.888 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.402 1.322 11.891 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.210 0.132 13.911 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.735 1.808 14.277 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.458 1.382 14.136 1.00 0.00 H new ATOM 647 N LYS A 45 -3.641 0.895 11.524 1.00 0.00 N ATOM 648 CA LYS A 45 -4.648 0.099 10.832 1.00 0.00 C ATOM 649 C LYS A 45 -4.700 0.448 9.348 1.00 0.00 C ATOM 650 O LYS A 45 -4.786 -0.432 8.493 1.00 0.00 O ATOM 651 CB LYS A 45 -6.024 0.324 11.461 1.00 0.00 C ATOM 652 CG LYS A 45 -6.339 -0.628 12.604 1.00 0.00 C ATOM 653 CD LYS A 45 -7.095 -1.852 12.117 1.00 0.00 C ATOM 654 CE LYS A 45 -7.410 -2.802 13.261 1.00 0.00 C ATOM 655 NZ LYS A 45 -6.449 -3.937 13.323 1.00 0.00 N ATOM 0 H LYS A 45 -4.013 1.706 12.018 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.371 -0.951 10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.083 1.349 11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.787 0.217 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.412 -0.939 13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.931 -0.109 13.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.022 -1.541 11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.503 -2.371 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.387 -2.255 14.204 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.422 -3.190 13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.699 -4.561 14.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.489 -4.475 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.486 -3.569 13.462 1.00 0.00 H new ATOM 669 N VAL A 46 -4.657 1.743 9.057 1.00 0.00 N ATOM 670 CA VAL A 46 -4.711 2.228 7.684 1.00 0.00 C ATOM 671 C VAL A 46 -3.528 1.740 6.861 1.00 0.00 C ATOM 672 O VAL A 46 -3.700 1.138 5.808 1.00 0.00 O ATOM 673 CB VAL A 46 -4.721 3.765 7.649 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.016 4.269 6.249 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.725 4.312 8.649 1.00 0.00 C ATOM 0 H VAL A 46 -4.584 2.480 9.759 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.631 1.834 7.253 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.731 4.123 7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.018 5.359 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.250 3.907 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.992 3.904 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.719 5.401 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.721 3.945 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.456 3.982 9.652 1.00 0.00 H new ATOM 685 N THR A 47 -2.330 2.025 7.348 1.00 0.00 N ATOM 686 CA THR A 47 -1.110 1.637 6.654 1.00 0.00 C ATOM 687 C THR A 47 -1.012 0.120 6.502 1.00 0.00 C ATOM 688 O THR A 47 -0.710 -0.387 5.421 1.00 0.00 O ATOM 689 CB THR A 47 0.106 2.182 7.404 1.00 0.00 C ATOM 690 OG1 THR A 47 -0.031 3.577 7.610 1.00 0.00 O ATOM 691 CG2 THR A 47 1.412 1.953 6.680 1.00 0.00 C ATOM 0 H THR A 47 -2.176 2.525 8.224 1.00 0.00 H new ATOM 0 HA THR A 47 -1.135 2.065 5.652 1.00 0.00 H new ATOM 0 HB THR A 47 0.137 1.637 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.600 3.738 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.232 2.365 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.568 0.883 6.540 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.380 2.445 5.708 1.00 0.00 H new ATOM 699 N GLY A 48 -1.259 -0.600 7.591 1.00 0.00 N ATOM 700 CA GLY A 48 -1.177 -2.050 7.558 1.00 0.00 C ATOM 701 C GLY A 48 -2.306 -2.683 6.776 1.00 0.00 C ATOM 702 O GLY A 48 -2.066 -3.453 5.845 1.00 0.00 O ATOM 0 H GLY A 48 -1.515 -0.206 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.225 -2.346 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.188 -2.433 8.578 1.00 0.00 H new ATOM 706 N MET A 49 -3.535 -2.357 7.149 1.00 0.00 N ATOM 707 CA MET A 49 -4.700 -2.901 6.463 1.00 0.00 C ATOM 708 C MET A 49 -4.803 -2.338 5.056 1.00 0.00 C ATOM 709 O MET A 49 -4.974 -3.088 4.096 1.00 0.00 O ATOM 710 CB MET A 49 -5.983 -2.581 7.235 1.00 0.00 C ATOM 711 CG MET A 49 -5.960 -3.036 8.684 1.00 0.00 C ATOM 712 SD MET A 49 -5.769 -4.822 8.847 1.00 0.00 S ATOM 713 CE MET A 49 -4.060 -4.930 9.367 1.00 0.00 C ATOM 0 H MET A 49 -3.752 -1.723 7.918 1.00 0.00 H new ATOM 0 HA MET A 49 -4.579 -3.983 6.408 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.154 -1.505 7.205 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.826 -3.052 6.730 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.142 -2.538 9.204 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.884 -2.727 9.173 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.848 -5.941 9.714 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.408 -4.691 8.527 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.881 -4.224 10.178 1.00 0.00 H new ATOM 723 N LEU A 50 -4.733 -1.004 4.960 1.00 0.00 N ATOM 724 CA LEU A 50 -4.851 -0.266 3.689 1.00 0.00 C ATOM 725 C LEU A 50 -5.500 -1.080 2.571 1.00 0.00 C ATOM 726 O LEU A 50 -6.606 -0.768 2.133 1.00 0.00 O ATOM 727 CB LEU A 50 -3.481 0.210 3.210 1.00 0.00 C ATOM 728 CG LEU A 50 -3.515 1.035 1.922 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.198 2.373 2.162 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.109 1.240 1.382 1.00 0.00 C ATOM 0 H LEU A 50 -4.592 -0.398 5.768 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.500 0.583 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.021 0.807 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.842 -0.659 3.054 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.091 0.486 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.213 2.946 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.220 2.204 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.651 2.929 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.153 1.829 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.508 1.767 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.656 0.272 1.169 1.00 0.00 H new ATOM 742 N LEU A 51 -4.810 -2.121 2.110 1.00 0.00 N ATOM 743 CA LEU A 51 -5.325 -2.961 1.039 1.00 0.00 C ATOM 744 C LEU A 51 -6.511 -3.796 1.506 1.00 0.00 C ATOM 745 O LEU A 51 -6.444 -5.024 1.545 1.00 0.00 O ATOM 746 CB LEU A 51 -4.211 -3.867 0.502 1.00 0.00 C ATOM 747 CG LEU A 51 -3.165 -3.158 -0.369 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.827 -3.079 0.350 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.010 -3.865 -1.707 1.00 0.00 C ATOM 0 H LEU A 51 -3.895 -2.400 2.463 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.675 -2.310 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.703 -4.334 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.664 -4.669 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.513 -2.142 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.101 -2.573 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.946 -2.522 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.474 -4.086 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.264 -3.346 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.690 -4.894 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.965 -3.863 -2.232 1.00 0.00 H new ATOM 761 N GLU A 52 -7.606 -3.118 1.847 1.00 0.00 N ATOM 762 CA GLU A 52 -8.816 -3.794 2.295 1.00 0.00 C ATOM 763 C GLU A 52 -9.654 -4.227 1.097 1.00 0.00 C ATOM 764 O GLU A 52 -9.318 -3.930 -0.049 1.00 0.00 O ATOM 765 CB GLU A 52 -9.648 -2.874 3.191 1.00 0.00 C ATOM 766 CG GLU A 52 -9.076 -2.683 4.588 1.00 0.00 C ATOM 767 CD GLU A 52 -9.163 -3.940 5.436 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.322 -5.036 4.862 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.072 -3.823 6.676 1.00 0.00 O ATOM 0 H GLU A 52 -7.677 -2.101 1.821 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.520 -4.674 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.737 -1.900 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.656 -3.281 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.034 -2.374 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.611 -1.875 5.088 1.00 0.00 H new ATOM 776 N MET A 53 -10.740 -4.940 1.368 1.00 0.00 N ATOM 777 CA MET A 53 -11.614 -5.423 0.306 1.00 0.00 C ATOM 778 C MET A 53 -12.304 -4.268 -0.420 1.00 0.00 C ATOM 779 O MET A 53 -12.116 -4.081 -1.621 1.00 0.00 O ATOM 780 CB MET A 53 -12.662 -6.372 0.884 1.00 0.00 C ATOM 781 CG MET A 53 -12.079 -7.688 1.373 1.00 0.00 C ATOM 782 SD MET A 53 -11.513 -8.738 0.023 1.00 0.00 S ATOM 783 CE MET A 53 -13.008 -9.653 -0.343 1.00 0.00 C ATOM 0 H MET A 53 -11.036 -5.196 2.310 1.00 0.00 H new ATOM 0 HA MET A 53 -10.998 -5.956 -0.418 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.171 -5.879 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.415 -6.577 0.123 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.245 -7.485 2.045 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.832 -8.222 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.818 -10.348 -1.161 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.320 -10.210 0.541 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.798 -8.959 -0.632 1.00 0.00 H new ATOM 793 N ASP A 54 -13.098 -3.494 0.310 1.00 0.00 N ATOM 794 CA ASP A 54 -13.808 -2.366 -0.280 1.00 0.00 C ATOM 795 C ASP A 54 -12.993 -1.090 -0.155 1.00 0.00 C ATOM 796 O ASP A 54 -12.372 -0.641 -1.120 1.00 0.00 O ATOM 797 CB ASP A 54 -15.173 -2.194 0.386 1.00 0.00 C ATOM 798 CG ASP A 54 -15.901 -0.942 -0.070 1.00 0.00 C ATOM 799 OD1 ASP A 54 -15.697 -0.527 -1.230 1.00 0.00 O ATOM 800 OD2 ASP A 54 -16.671 -0.377 0.733 1.00 0.00 O ATOM 0 H ASP A 54 -13.266 -3.626 1.307 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.958 -2.571 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.790 -3.066 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.042 -2.158 1.467 1.00 0.00 H new ATOM 805 N ASN A 55 -12.993 -0.507 1.039 1.00 0.00 N ATOM 806 CA ASN A 55 -12.251 0.719 1.294 1.00 0.00 C ATOM 807 C ASN A 55 -10.850 0.644 0.692 1.00 0.00 C ATOM 808 O ASN A 55 -10.270 1.661 0.315 1.00 0.00 O ATOM 809 CB ASN A 55 -12.157 0.975 2.796 1.00 0.00 C ATOM 810 CG ASN A 55 -11.920 2.436 3.103 1.00 0.00 C ATOM 811 OD1 ASN A 55 -12.840 3.166 3.472 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.681 2.870 2.943 1.00 0.00 N ATOM 0 H ASN A 55 -13.501 -0.867 1.847 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.786 1.543 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -13.077 0.647 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.347 0.379 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.455 3.847 3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.951 2.227 2.635 1.00 0.00 H new ATOM 819 N GLY A 56 -10.320 -0.570 0.601 1.00 0.00 N ATOM 820 CA GLY A 56 -8.999 -0.761 0.042 1.00 0.00 C ATOM 821 C GLY A 56 -8.940 -0.452 -1.442 1.00 0.00 C ATOM 822 O GLY A 56 -8.122 0.359 -1.876 1.00 0.00 O ATOM 0 H GLY A 56 -10.784 -1.426 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.290 -0.123 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.685 -1.792 0.207 1.00 0.00 H new ATOM 826 N GLU A 57 -9.797 -1.103 -2.233 1.00 0.00 N ATOM 827 CA GLU A 57 -9.808 -0.883 -3.683 1.00 0.00 C ATOM 828 C GLU A 57 -9.560 0.578 -4.037 1.00 0.00 C ATOM 829 O GLU A 57 -8.704 0.891 -4.865 1.00 0.00 O ATOM 830 CB GLU A 57 -11.130 -1.336 -4.287 1.00 0.00 C ATOM 831 CG GLU A 57 -11.443 -2.795 -4.023 1.00 0.00 C ATOM 832 CD GLU A 57 -10.801 -3.726 -5.034 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.154 -3.642 -6.229 1.00 0.00 O ATOM 834 OE2 GLU A 57 -9.944 -4.541 -4.630 1.00 0.00 O ATOM 0 H GLU A 57 -10.485 -1.779 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.996 -1.478 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.935 -0.721 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.107 -1.166 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.100 -3.060 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.523 -2.939 -4.038 1.00 0.00 H new ATOM 841 N ILE A 58 -10.306 1.474 -3.401 1.00 0.00 N ATOM 842 CA ILE A 58 -10.154 2.903 -3.645 1.00 0.00 C ATOM 843 C ILE A 58 -8.697 3.319 -3.480 1.00 0.00 C ATOM 844 O ILE A 58 -8.144 4.044 -4.307 1.00 0.00 O ATOM 845 CB ILE A 58 -11.039 3.728 -2.685 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.508 3.602 -3.083 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.614 5.193 -2.667 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.453 4.259 -2.101 1.00 0.00 C ATOM 0 H ILE A 58 -11.021 1.236 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.472 3.101 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.911 3.330 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.650 4.048 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.764 2.546 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.255 5.749 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.578 5.267 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.705 5.611 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.480 4.132 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.338 3.797 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.223 5.322 -2.030 1.00 0.00 H new ATOM 860 N LEU A 59 -8.091 2.860 -2.387 1.00 0.00 N ATOM 861 CA LEU A 59 -6.704 3.180 -2.074 1.00 0.00 C ATOM 862 C LEU A 59 -5.815 3.154 -3.309 1.00 0.00 C ATOM 863 O LEU A 59 -4.847 3.907 -3.402 1.00 0.00 O ATOM 864 CB LEU A 59 -6.171 2.203 -1.029 1.00 0.00 C ATOM 865 CG LEU A 59 -5.547 0.924 -1.592 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.084 1.147 -1.952 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.687 -0.204 -0.593 1.00 0.00 C ATOM 0 H LEU A 59 -8.546 2.260 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.683 4.195 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.425 2.716 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.988 1.927 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.077 0.651 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.662 0.224 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.010 1.933 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.531 1.444 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.240 -1.110 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.179 0.065 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.743 -0.380 -0.389 1.00 0.00 H new ATOM 879 N ASN A 60 -6.150 2.284 -4.253 1.00 0.00 N ATOM 880 CA ASN A 60 -5.378 2.160 -5.488 1.00 0.00 C ATOM 881 C ASN A 60 -5.042 3.532 -6.078 1.00 0.00 C ATOM 882 O ASN A 60 -4.084 3.673 -6.839 1.00 0.00 O ATOM 883 CB ASN A 60 -6.152 1.329 -6.512 1.00 0.00 C ATOM 884 CG ASN A 60 -5.278 0.877 -7.666 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.056 0.804 -7.541 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.902 0.575 -8.798 1.00 0.00 N ATOM 0 H ASN A 60 -6.949 1.654 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.442 1.657 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.579 0.456 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.985 1.917 -6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.366 0.268 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.918 0.650 -8.856 1.00 0.00 H new ATOM 893 N LEU A 61 -5.839 4.541 -5.728 1.00 0.00 N ATOM 894 CA LEU A 61 -5.626 5.895 -6.225 1.00 0.00 C ATOM 895 C LEU A 61 -5.238 6.852 -5.097 1.00 0.00 C ATOM 896 O LEU A 61 -5.886 7.880 -4.903 1.00 0.00 O ATOM 897 CB LEU A 61 -6.896 6.395 -6.912 1.00 0.00 C ATOM 898 CG LEU A 61 -7.551 5.391 -7.860 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.949 5.021 -7.378 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.599 5.948 -9.275 1.00 0.00 C ATOM 0 H LEU A 61 -6.638 4.444 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.804 5.867 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.620 6.676 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.657 7.299 -7.472 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.946 4.484 -7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.395 4.305 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.886 4.576 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.568 5.917 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.068 5.220 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.178 6.872 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.585 6.152 -9.620 1.00 0.00 H new ATOM 912 N LEU A 62 -4.187 6.498 -4.348 1.00 0.00 N ATOM 913 CA LEU A 62 -3.710 7.315 -3.223 1.00 0.00 C ATOM 914 C LEU A 62 -4.006 8.806 -3.425 1.00 0.00 C ATOM 915 O LEU A 62 -3.237 9.525 -4.062 1.00 0.00 O ATOM 916 CB LEU A 62 -2.207 7.105 -3.027 1.00 0.00 C ATOM 917 CG LEU A 62 -1.816 5.749 -2.450 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.497 5.277 -3.042 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.726 5.816 -0.933 1.00 0.00 C ATOM 0 H LEU A 62 -3.647 5.646 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.248 6.991 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.709 7.231 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.829 7.886 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.590 5.029 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.234 4.308 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.596 5.186 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.286 5.999 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.446 4.838 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.974 6.551 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.693 6.107 -0.524 1.00 0.00 H new ATOM 931 N ASP A 63 -5.138 9.246 -2.881 1.00 0.00 N ATOM 932 CA ASP A 63 -5.568 10.640 -2.998 1.00 0.00 C ATOM 933 C ASP A 63 -5.596 11.330 -1.635 1.00 0.00 C ATOM 934 O ASP A 63 -5.565 10.674 -0.596 1.00 0.00 O ATOM 935 CB ASP A 63 -6.956 10.702 -3.639 1.00 0.00 C ATOM 936 CG ASP A 63 -6.893 10.912 -5.139 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.498 12.015 -5.568 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.241 9.972 -5.884 1.00 0.00 O ATOM 0 H ASP A 63 -5.778 8.655 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.849 11.164 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.492 9.777 -3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.526 11.513 -3.185 1.00 0.00 H new ATOM 943 N THR A 64 -5.662 12.660 -1.641 1.00 0.00 N ATOM 944 CA THR A 64 -5.701 13.419 -0.395 1.00 0.00 C ATOM 945 C THR A 64 -7.070 13.296 0.267 1.00 0.00 C ATOM 946 O THR A 64 -7.164 12.950 1.440 1.00 0.00 O ATOM 947 CB THR A 64 -5.365 14.891 -0.640 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.526 15.034 -1.772 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.668 15.544 0.534 1.00 0.00 C ATOM 0 H THR A 64 -5.689 13.229 -2.487 1.00 0.00 H new ATOM 0 HA THR A 64 -4.949 13.001 0.275 1.00 0.00 H new ATOM 0 HB THR A 64 -6.324 15.386 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.325 15.983 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.457 16.587 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.311 15.494 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.733 15.022 0.739 1.00 0.00 H new ATOM 957 N PRO A 65 -8.159 13.577 -0.468 1.00 0.00 N ATOM 958 CA PRO A 65 -9.507 13.481 0.084 1.00 0.00 C ATOM 959 C PRO A 65 -9.967 12.033 0.239 1.00 0.00 C ATOM 960 O PRO A 65 -10.132 11.543 1.353 1.00 0.00 O ATOM 961 CB PRO A 65 -10.375 14.222 -0.934 1.00 0.00 C ATOM 962 CG PRO A 65 -9.618 14.176 -2.221 1.00 0.00 C ATOM 963 CD PRO A 65 -8.158 14.003 -1.878 1.00 0.00 C ATOM 0 HA PRO A 65 -9.565 13.904 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.350 13.746 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.553 15.251 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.967 13.351 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.773 15.092 -2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.686 13.258 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.606 14.933 -2.011 1.00 0.00 H new ATOM 971 N GLY A 66 -10.171 11.353 -0.886 1.00 0.00 N ATOM 972 CA GLY A 66 -10.616 9.969 -0.857 1.00 0.00 C ATOM 973 C GLY A 66 -9.859 9.119 0.147 1.00 0.00 C ATOM 974 O GLY A 66 -10.456 8.564 1.070 1.00 0.00 O ATOM 0 H GLY A 66 -10.036 11.737 -1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.679 9.941 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.500 9.536 -1.851 1.00 0.00 H new ATOM 978 N LEU A 67 -8.549 9.005 -0.033 1.00 0.00 N ATOM 979 CA LEU A 67 -7.721 8.209 0.860 1.00 0.00 C ATOM 980 C LEU A 67 -7.855 8.676 2.304 1.00 0.00 C ATOM 981 O LEU A 67 -8.428 7.982 3.138 1.00 0.00 O ATOM 982 CB LEU A 67 -6.259 8.298 0.415 1.00 0.00 C ATOM 983 CG LEU A 67 -5.494 6.978 0.300 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.792 6.644 1.607 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.410 5.841 -0.120 1.00 0.00 C ATOM 0 H LEU A 67 -8.037 9.456 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.059 7.174 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.228 8.795 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.728 8.939 1.118 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.738 7.102 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.255 5.701 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.087 7.438 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.530 6.553 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.835 4.918 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.201 5.719 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.853 6.069 -1.090 1.00 0.00 H new ATOM 997 N LEU A 68 -7.315 9.855 2.593 1.00 0.00 N ATOM 998 CA LEU A 68 -7.357 10.410 3.943 1.00 0.00 C ATOM 999 C LEU A 68 -8.756 10.341 4.549 1.00 0.00 C ATOM 1000 O LEU A 68 -8.900 10.307 5.768 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.851 11.851 3.935 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.643 12.116 4.828 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.368 11.644 4.146 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.551 13.595 5.174 1.00 0.00 C ATOM 0 H LEU A 68 -6.842 10.447 1.910 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.704 9.802 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.594 12.124 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.664 12.507 4.245 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.766 11.555 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.514 11.840 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.436 10.574 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.239 12.179 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.684 13.766 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.449 14.177 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.455 13.902 5.700 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.784 10.315 3.705 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.156 10.238 4.196 1.00 0.00 C ATOM 1018 C ASP A 69 -11.560 8.784 4.422 1.00 0.00 C ATOM 1019 O ASP A 69 -11.880 8.386 5.540 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.126 10.916 3.228 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.355 11.455 3.933 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.283 11.689 5.157 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.392 11.641 3.261 1.00 0.00 O ATOM 0 H ASP A 69 -9.695 10.346 2.689 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.204 10.767 5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.615 11.732 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.432 10.202 2.463 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.526 7.987 3.358 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.875 6.575 3.457 1.00 0.00 C ATOM 1030 C ALA A 70 -10.904 5.837 4.377 1.00 0.00 C ATOM 1031 O ALA A 70 -11.187 4.731 4.835 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.890 5.933 2.077 1.00 0.00 C ATOM 0 H ALA A 70 -11.262 8.294 2.422 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.874 6.501 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.152 4.879 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.625 6.437 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.903 6.023 1.623 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.753 6.456 4.636 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.733 5.859 5.491 1.00 0.00 C ATOM 1040 C LYS A 71 -9.036 6.097 6.971 1.00 0.00 C ATOM 1041 O LYS A 71 -9.114 5.153 7.756 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.367 6.464 5.160 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.681 5.877 3.924 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.773 4.357 3.870 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.811 3.896 2.862 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.289 2.828 1.967 1.00 0.00 N ATOM 0 H LYS A 71 -9.505 7.373 4.264 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.728 4.785 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.488 7.537 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.710 6.331 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.136 6.297 3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.632 6.174 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.800 3.942 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.027 3.972 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.690 3.527 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.134 4.746 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.055 2.485 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.520 3.211 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.927 2.040 2.541 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.197 7.368 7.346 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.479 7.731 8.735 1.00 0.00 C ATOM 1062 C VAL A 72 -10.769 7.099 9.233 1.00 0.00 C ATOM 1063 O VAL A 72 -10.832 6.592 10.350 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.584 9.260 8.920 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.223 9.919 8.768 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.589 9.858 7.945 1.00 0.00 C ATOM 0 H VAL A 72 -9.137 8.161 6.708 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.639 7.352 9.317 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.941 9.453 9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.323 10.996 8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.540 9.521 9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.828 9.713 7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.645 10.936 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.272 9.650 6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.570 9.416 8.118 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.796 7.151 8.401 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.097 6.603 8.755 1.00 0.00 C ATOM 1078 C GLN A 73 -13.065 5.081 8.827 1.00 0.00 C ATOM 1079 O GLN A 73 -13.564 4.487 9.781 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.135 7.064 7.736 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.068 8.553 7.441 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.490 9.402 8.625 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -13.630 9.482 9.636 1.00 0.00 O flip ATOM 1084 NE2 GLN A 73 -15.577 9.979 8.634 1.00 0.00 N flip ATOM 0 H GLN A 73 -11.754 7.569 7.471 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.366 6.970 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.994 6.510 6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.131 6.818 8.105 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.050 8.817 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.709 8.780 6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.208 9.891 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.847 10.545 9.438 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.485 4.453 7.812 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.407 2.999 7.766 1.00 0.00 C ATOM 1095 C GLU A 74 -11.555 2.449 8.904 1.00 0.00 C ATOM 1096 O GLU A 74 -11.775 1.329 9.367 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.848 2.539 6.421 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.776 1.027 6.281 1.00 0.00 C ATOM 1099 CD GLU A 74 -10.356 0.527 6.102 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -9.768 0.781 5.029 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -9.832 -0.117 7.034 1.00 0.00 O ATOM 0 H GLU A 74 -12.063 4.926 7.013 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.418 2.609 7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.470 2.941 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.850 2.956 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.213 0.562 7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.378 0.715 5.427 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.585 3.235 9.356 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.712 2.810 10.446 1.00 0.00 C ATOM 1110 C ALA A 75 -10.352 3.095 11.798 1.00 0.00 C ATOM 1111 O ALA A 75 -10.373 2.237 12.679 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.361 3.499 10.347 1.00 0.00 C ATOM 0 H ALA A 75 -10.383 4.165 8.988 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.563 1.734 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.724 3.170 11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.891 3.243 9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.498 4.579 10.405 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.877 4.305 11.952 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.523 4.701 13.198 1.00 0.00 C ATOM 1120 C LEU A 76 -12.827 3.936 13.394 1.00 0.00 C ATOM 1121 O LEU A 76 -13.220 3.637 14.521 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.786 6.209 13.202 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.692 7.057 13.849 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.101 8.523 13.880 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.389 6.559 15.254 1.00 0.00 C ATOM 0 H LEU A 76 -10.868 5.027 11.232 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.855 4.459 14.025 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.920 6.541 12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.725 6.397 13.723 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.787 6.964 13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.310 9.112 14.344 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.267 8.876 12.862 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.020 8.632 14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.607 7.176 15.698 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.290 6.620 15.864 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.052 5.523 15.208 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.492 3.615 12.288 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.749 2.878 12.340 1.00 0.00 C ATOM 1139 C GLU A 77 -14.513 1.457 12.836 1.00 0.00 C ATOM 1140 O GLU A 77 -15.202 0.979 13.737 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.406 2.840 10.960 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.763 2.152 10.953 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.436 2.196 9.594 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.840 2.762 8.653 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.559 1.665 9.470 1.00 0.00 O ATOM 0 H GLU A 77 -13.181 3.854 11.346 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.415 3.390 13.034 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.523 3.860 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.743 2.325 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.640 1.113 11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.410 2.627 11.690 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.537 0.786 12.233 1.00 0.00 N ATOM 1153 CA VAL A 78 -13.210 -0.581 12.604 1.00 0.00 C ATOM 1154 C VAL A 78 -12.375 -0.622 13.885 1.00 0.00 C ATOM 1155 O VAL A 78 -12.642 -1.422 14.782 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.466 -1.304 11.461 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -11.005 -0.881 11.397 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.593 -2.809 11.618 1.00 0.00 C ATOM 0 H VAL A 78 -12.960 1.170 11.485 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.149 -1.102 12.789 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.930 -1.016 10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.509 -1.408 10.582 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.945 0.194 11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.514 -1.125 12.339 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.064 -3.306 10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.161 -3.113 12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.646 -3.090 11.590 1.00 0.00 H new