USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 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 Set 1.1: A 34 HIS : no HD1:sc= -28.2! C(o=-35!,f=-37!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -158:sc= -7.15! (180deg=-5.14!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.588 F(o=-2.5!,f=-0.59) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.135 F(o=-1,f=-0.13) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 77:sc= 1.11 USER MOD Single : A 49 MET CE :methyl 145:sc= -3.01! (180deg=-5.93!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.37 K(o=-2.4,f=-3) USER MOD Single : A 60 ASN : amide:sc= -0.0741 K(o=-0.074,f=-1.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.873 2.651 -0.837 1.00 0.00 N ATOM 363 CA VAL A 26 6.775 4.104 -0.949 1.00 0.00 C ATOM 364 C VAL A 26 5.381 4.584 -0.554 1.00 0.00 C ATOM 365 O VAL A 26 5.233 5.575 0.160 1.00 0.00 O ATOM 366 CB VAL A 26 7.119 4.597 -2.378 1.00 0.00 C ATOM 367 CG1 VAL A 26 5.919 4.522 -3.316 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.671 6.013 -2.332 1.00 0.00 C ATOM 0 HA VAL A 26 7.507 4.529 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 26 7.883 3.930 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.208 4.877 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.577 3.490 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.114 5.145 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.908 6.344 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.927 6.680 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.575 6.031 -1.723 1.00 0.00 H new ATOM 378 N LEU A 27 4.369 3.864 -1.021 1.00 0.00 N ATOM 379 CA LEU A 27 2.983 4.207 -0.714 1.00 0.00 C ATOM 380 C LEU A 27 2.749 4.205 0.791 1.00 0.00 C ATOM 381 O LEU A 27 2.254 5.180 1.350 1.00 0.00 O ATOM 382 CB LEU A 27 2.022 3.218 -1.377 1.00 0.00 C ATOM 383 CG LEU A 27 2.084 3.161 -2.905 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.089 2.138 -3.438 1.00 0.00 C ATOM 385 CD2 LEU A 27 1.824 4.534 -3.509 1.00 0.00 C ATOM 0 H LEU A 27 4.480 3.040 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 27 2.793 5.207 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.227 2.222 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.004 3.474 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 27 3.087 2.850 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.145 2.109 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.329 1.154 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.081 2.418 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.873 4.469 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.835 4.881 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.578 5.237 -3.153 1.00 0.00 H new ATOM 397 N GLY A 28 3.104 3.096 1.436 1.00 0.00 N ATOM 398 CA GLY A 28 2.916 2.972 2.872 1.00 0.00 C ATOM 399 C GLY A 28 3.693 4.007 3.661 1.00 0.00 C ATOM 400 O GLY A 28 3.158 4.612 4.590 1.00 0.00 O ATOM 0 H GLY A 28 3.520 2.279 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.855 3.067 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.223 1.975 3.189 1.00 0.00 H new ATOM 404 N GLU A 29 4.956 4.219 3.300 1.00 0.00 N ATOM 405 CA GLU A 29 5.787 5.198 3.993 1.00 0.00 C ATOM 406 C GLU A 29 5.143 6.577 3.928 1.00 0.00 C ATOM 407 O GLU A 29 4.903 7.211 4.957 1.00 0.00 O ATOM 408 CB GLU A 29 7.188 5.241 3.382 1.00 0.00 C ATOM 409 CG GLU A 29 7.799 3.865 3.174 1.00 0.00 C ATOM 410 CD GLU A 29 9.001 3.621 4.065 1.00 0.00 C ATOM 411 OE1 GLU A 29 8.986 4.086 5.224 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.957 2.965 3.602 1.00 0.00 O ATOM 0 H GLU A 29 5.423 3.730 2.537 1.00 0.00 H new ATOM 0 HA GLU A 29 5.874 4.899 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.143 5.759 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.841 5.826 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.045 3.103 3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.097 3.757 2.131 1.00 0.00 H new ATOM 419 N ARG A 30 4.859 7.030 2.713 1.00 0.00 N ATOM 420 CA ARG A 30 4.230 8.330 2.510 1.00 0.00 C ATOM 421 C ARG A 30 2.810 8.339 3.072 1.00 0.00 C ATOM 422 O ARG A 30 2.245 9.402 3.340 1.00 0.00 O ATOM 423 CB ARG A 30 4.200 8.680 1.020 1.00 0.00 C ATOM 424 CG ARG A 30 5.580 8.804 0.396 1.00 0.00 C ATOM 425 CD ARG A 30 5.645 9.958 -0.593 1.00 0.00 C ATOM 426 NE ARG A 30 6.960 10.068 -1.220 1.00 0.00 N ATOM 427 CZ ARG A 30 8.007 10.666 -0.653 1.00 0.00 C ATOM 428 NH1 ARG A 30 7.897 11.210 0.553 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.167 10.718 -1.293 1.00 0.00 N ATOM 0 H ARG A 30 5.054 6.517 1.853 1.00 0.00 H new ATOM 0 HA ARG A 30 4.820 9.078 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.637 7.914 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.664 9.620 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.322 8.953 1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.835 7.874 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.887 9.818 -1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.409 10.890 -0.079 1.00 0.00 H new ATOM 0 HE ARG A 30 7.084 9.663 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.007 11.172 1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.702 11.666 0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.258 10.300 -2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.969 11.176 -0.859 1.00 0.00 H new ATOM 443 N LEU A 31 2.239 7.151 3.256 1.00 0.00 N ATOM 444 CA LEU A 31 0.891 7.028 3.788 1.00 0.00 C ATOM 445 C LEU A 31 0.870 7.365 5.278 1.00 0.00 C ATOM 446 O LEU A 31 0.206 8.299 5.715 1.00 0.00 O ATOM 447 CB LEU A 31 0.386 5.594 3.577 1.00 0.00 C ATOM 448 CG LEU A 31 -0.928 5.454 2.806 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.713 4.722 1.489 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.968 4.732 3.654 1.00 0.00 C ATOM 0 H LEU A 31 2.692 6.262 3.044 1.00 0.00 H new ATOM 0 HA LEU A 31 0.241 7.728 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.156 5.032 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.263 5.125 4.553 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.296 6.455 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.663 4.636 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.005 5.279 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.317 3.726 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.897 4.641 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.601 3.739 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.151 5.300 4.566 1.00 0.00 H new ATOM 462 N TYR A 32 1.609 6.587 6.050 1.00 0.00 N ATOM 463 CA TYR A 32 1.686 6.775 7.495 1.00 0.00 C ATOM 464 C TYR A 32 1.898 8.242 7.877 1.00 0.00 C ATOM 465 O TYR A 32 1.431 8.682 8.921 1.00 0.00 O ATOM 466 CB TYR A 32 2.820 5.910 8.058 1.00 0.00 C ATOM 467 CG TYR A 32 2.654 5.538 9.515 1.00 0.00 C ATOM 468 CD1 TYR A 32 3.132 6.367 10.518 1.00 0.00 C ATOM 469 CD2 TYR A 32 2.023 4.355 9.883 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.988 6.031 11.852 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.873 4.014 11.215 1.00 0.00 C ATOM 472 CZ TYR A 32 2.357 4.855 12.194 1.00 0.00 C ATOM 473 OH TYR A 32 2.207 4.523 13.521 1.00 0.00 O ATOM 0 H TYR A 32 2.171 5.811 5.699 1.00 0.00 H new ATOM 0 HA TYR A 32 0.733 6.468 7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.892 4.997 7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.763 6.443 7.936 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.625 7.291 10.253 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.645 3.693 9.118 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.368 6.687 12.621 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.379 3.093 11.487 1.00 0.00 H new ATOM 0 HH TYR A 32 1.741 3.664 13.593 1.00 0.00 H new ATOM 483 N ASN A 33 2.621 8.981 7.046 1.00 0.00 N ATOM 484 CA ASN A 33 2.910 10.392 7.320 1.00 0.00 C ATOM 485 C ASN A 33 1.644 11.244 7.341 1.00 0.00 C ATOM 486 O ASN A 33 1.466 12.087 8.221 1.00 0.00 O ATOM 487 CB ASN A 33 3.881 10.934 6.262 1.00 0.00 C ATOM 488 CG ASN A 33 3.953 12.453 6.236 1.00 0.00 C ATOM 489 OD1 ASN A 33 2.914 13.089 5.699 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 4.930 13.046 6.691 1.00 0.00 N flip ATOM 0 H ASN A 33 3.020 8.631 6.175 1.00 0.00 H new ATOM 0 HA ASN A 33 3.362 10.451 8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.876 10.533 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.575 10.574 5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.705 12.519 7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.965 14.065 6.666 1.00 0.00 H new ATOM 497 N HIS A 34 0.780 11.041 6.362 1.00 0.00 N ATOM 498 CA HIS A 34 -0.451 11.811 6.269 1.00 0.00 C ATOM 499 C HIS A 34 -1.347 11.561 7.474 1.00 0.00 C ATOM 500 O HIS A 34 -2.015 12.464 7.974 1.00 0.00 O ATOM 501 CB HIS A 34 -1.210 11.433 4.997 1.00 0.00 C ATOM 502 CG HIS A 34 -1.819 10.069 5.055 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.477 9.044 4.207 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.734 9.560 5.904 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.161 7.961 4.542 1.00 0.00 C ATOM 506 NE2 HIS A 34 -2.929 8.252 5.568 1.00 0.00 N ATOM 0 H HIS A 34 0.906 10.351 5.621 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.183 12.867 6.243 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.996 12.167 4.820 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.529 11.483 4.147 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.224 10.092 6.706 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.098 7.000 4.054 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.566 7.607 6.036 1.00 0.00 H new ATOM 515 N ILE A 35 -1.397 10.304 7.880 1.00 0.00 N ATOM 516 CA ILE A 35 -2.254 9.875 8.977 1.00 0.00 C ATOM 517 C ILE A 35 -1.563 9.959 10.335 1.00 0.00 C ATOM 518 O ILE A 35 -2.179 10.376 11.311 1.00 0.00 O ATOM 519 CB ILE A 35 -2.781 8.440 8.732 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.604 7.942 9.926 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.637 7.484 8.417 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.069 7.747 9.603 1.00 0.00 C ATOM 0 H ILE A 35 -0.848 9.553 7.462 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.095 10.568 9.003 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.440 8.470 7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.188 6.998 10.277 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.511 8.655 10.745 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.035 6.483 8.249 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.116 7.822 7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.940 7.462 9.255 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.593 7.394 10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.500 8.695 9.280 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.171 7.012 8.805 1.00 0.00 H new ATOM 534 N VAL A 36 -0.296 9.565 10.414 1.00 0.00 N ATOM 535 CA VAL A 36 0.423 9.618 11.688 1.00 0.00 C ATOM 536 C VAL A 36 0.159 10.944 12.398 1.00 0.00 C ATOM 537 O VAL A 36 -0.182 10.973 13.581 1.00 0.00 O ATOM 538 CB VAL A 36 1.948 9.434 11.517 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.535 10.499 10.610 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.639 9.445 12.875 1.00 0.00 C ATOM 0 H VAL A 36 0.249 9.211 9.628 1.00 0.00 H new ATOM 0 HA VAL A 36 0.048 8.789 12.288 1.00 0.00 H new ATOM 0 HB VAL A 36 2.119 8.466 11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.609 10.341 10.511 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.067 10.438 9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.351 11.484 11.039 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.712 9.314 12.738 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.450 10.397 13.372 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.250 8.632 13.488 1.00 0.00 H new ATOM 550 N ALA A 37 0.315 12.036 11.660 1.00 0.00 N ATOM 551 CA ALA A 37 0.090 13.366 12.199 1.00 0.00 C ATOM 552 C ALA A 37 -1.400 13.659 12.329 1.00 0.00 C ATOM 553 O ALA A 37 -1.818 14.444 13.179 1.00 0.00 O ATOM 554 CB ALA A 37 0.753 14.406 11.311 1.00 0.00 C ATOM 0 H ALA A 37 0.598 12.023 10.680 1.00 0.00 H new ATOM 0 HA ALA A 37 0.532 13.411 13.194 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.579 15.400 11.723 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.825 14.215 11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.331 14.350 10.308 1.00 0.00 H new ATOM 560 N ILE A 38 -2.196 13.027 11.472 1.00 0.00 N ATOM 561 CA ILE A 38 -3.645 13.229 11.487 1.00 0.00 C ATOM 562 C ILE A 38 -4.335 12.277 12.467 1.00 0.00 C ATOM 563 O ILE A 38 -4.895 12.713 13.474 1.00 0.00 O ATOM 564 CB ILE A 38 -4.251 13.063 10.068 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.937 14.284 9.193 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.760 12.858 10.143 1.00 0.00 C ATOM 567 CD1 ILE A 38 -2.554 14.867 9.405 1.00 0.00 C ATOM 0 H ILE A 38 -1.867 12.374 10.761 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.821 14.251 11.822 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.798 12.181 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.042 14.002 8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.679 15.058 9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.162 12.744 9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.977 11.962 10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.221 13.722 10.622 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.416 15.725 8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.448 15.184 10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.802 14.111 9.178 1.00 0.00 H new ATOM 579 N ASN A 39 -4.291 10.983 12.171 1.00 0.00 N ATOM 580 CA ASN A 39 -4.908 9.976 13.027 1.00 0.00 C ATOM 581 C ASN A 39 -3.884 8.933 13.475 1.00 0.00 C ATOM 582 O ASN A 39 -3.779 7.859 12.882 1.00 0.00 O ATOM 583 CB ASN A 39 -6.068 9.299 12.294 1.00 0.00 C ATOM 584 CG ASN A 39 -7.403 9.561 12.961 1.00 0.00 C ATOM 585 OD1 ASN A 39 -7.990 8.519 13.537 1.00 0.00 O flip ATOM 586 ND2 ASN A 39 -7.902 10.687 12.958 1.00 0.00 N flip ATOM 0 H ASN A 39 -3.833 10.605 11.342 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.293 10.476 13.916 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.102 9.657 11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.890 8.224 12.252 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.415 11.459 12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.802 10.847 13.411 1.00 0.00 H new ATOM 593 N PRO A 40 -3.109 9.241 14.528 1.00 0.00 N ATOM 594 CA PRO A 40 -2.080 8.333 15.057 1.00 0.00 C ATOM 595 C PRO A 40 -2.615 6.939 15.376 1.00 0.00 C ATOM 596 O PRO A 40 -1.907 5.944 15.220 1.00 0.00 O ATOM 597 CB PRO A 40 -1.617 9.025 16.339 1.00 0.00 C ATOM 598 CG PRO A 40 -1.923 10.467 16.130 1.00 0.00 C ATOM 599 CD PRO A 40 -3.165 10.508 15.282 1.00 0.00 C ATOM 0 HA PRO A 40 -1.288 8.166 14.327 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.141 8.633 17.211 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.552 8.868 16.510 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.083 10.974 17.082 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.095 10.974 15.634 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.066 10.572 15.892 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.168 11.371 14.617 1.00 0.00 H new ATOM 607 N ALA A 41 -3.864 6.869 15.833 1.00 0.00 N ATOM 608 CA ALA A 41 -4.479 5.590 16.182 1.00 0.00 C ATOM 609 C ALA A 41 -5.251 5.003 15.004 1.00 0.00 C ATOM 610 O ALA A 41 -6.379 4.533 15.158 1.00 0.00 O ATOM 611 CB ALA A 41 -5.392 5.756 17.389 1.00 0.00 C ATOM 0 H ALA A 41 -4.468 7.680 15.970 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.681 4.892 16.436 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.844 4.796 17.638 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.811 6.115 18.238 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.176 6.476 17.156 1.00 0.00 H new ATOM 617 N ALA A 42 -4.628 5.017 13.833 1.00 0.00 N ATOM 618 CA ALA A 42 -5.242 4.473 12.627 1.00 0.00 C ATOM 619 C ALA A 42 -4.174 4.166 11.590 1.00 0.00 C ATOM 620 O ALA A 42 -4.270 3.185 10.857 1.00 0.00 O ATOM 621 CB ALA A 42 -6.280 5.429 12.066 1.00 0.00 C ATOM 0 H ALA A 42 -3.694 5.401 13.692 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.752 3.546 12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.722 4.999 11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.059 5.597 12.809 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.804 6.378 11.818 1.00 0.00 H new ATOM 627 N ALA A 43 -3.154 5.024 11.542 1.00 0.00 N ATOM 628 CA ALA A 43 -2.043 4.868 10.609 1.00 0.00 C ATOM 629 C ALA A 43 -1.657 3.401 10.462 1.00 0.00 C ATOM 630 O ALA A 43 -1.570 2.879 9.351 1.00 0.00 O ATOM 631 CB ALA A 43 -0.848 5.680 11.084 1.00 0.00 C ATOM 0 H ALA A 43 -3.077 5.842 12.147 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.360 5.235 9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.023 5.558 10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.123 6.733 11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.540 5.332 12.070 1.00 0.00 H new ATOM 637 N ALA A 44 -1.419 2.745 11.597 1.00 0.00 N ATOM 638 CA ALA A 44 -1.035 1.341 11.600 1.00 0.00 C ATOM 639 C ALA A 44 -2.029 0.486 10.825 1.00 0.00 C ATOM 640 O ALA A 44 -1.662 -0.532 10.236 1.00 0.00 O ATOM 641 CB ALA A 44 -0.896 0.831 13.029 1.00 0.00 C ATOM 0 H ALA A 44 -1.486 3.166 12.524 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.070 1.261 11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.608 -0.220 13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.132 1.409 13.549 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.848 0.939 13.548 1.00 0.00 H new ATOM 647 N LYS A 45 -3.287 0.905 10.830 1.00 0.00 N ATOM 648 CA LYS A 45 -4.340 0.177 10.129 1.00 0.00 C ATOM 649 C LYS A 45 -4.450 0.635 8.680 1.00 0.00 C ATOM 650 O LYS A 45 -4.546 -0.185 7.767 1.00 0.00 O ATOM 651 CB LYS A 45 -5.679 0.378 10.842 1.00 0.00 C ATOM 652 CG LYS A 45 -6.000 -0.714 11.847 1.00 0.00 C ATOM 653 CD LYS A 45 -6.528 -1.965 11.165 1.00 0.00 C ATOM 654 CE LYS A 45 -5.464 -3.045 11.067 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.483 -3.951 12.248 1.00 0.00 N ATOM 0 H LYS A 45 -3.605 1.746 11.312 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.083 -0.882 10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.668 1.340 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.475 0.422 10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.104 -0.960 12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.739 -0.348 12.559 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.385 -2.348 11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.883 -1.712 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.621 -3.628 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.482 -2.580 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.743 -4.674 12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.308 -3.399 13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.412 -4.414 12.315 1.00 0.00 H new ATOM 669 N VAL A 46 -4.446 1.947 8.477 1.00 0.00 N ATOM 670 CA VAL A 46 -4.555 2.507 7.137 1.00 0.00 C ATOM 671 C VAL A 46 -3.354 2.133 6.276 1.00 0.00 C ATOM 672 O VAL A 46 -3.487 1.934 5.071 1.00 0.00 O ATOM 673 CB VAL A 46 -4.681 4.041 7.175 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.989 4.581 5.789 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.750 4.461 8.170 1.00 0.00 C ATOM 0 H VAL A 46 -4.369 2.640 9.221 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.458 2.083 6.698 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.730 4.462 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.075 5.667 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.185 4.308 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.928 4.157 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.826 5.548 8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.709 4.034 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.483 4.103 9.164 1.00 0.00 H new ATOM 685 N THR A 47 -2.183 2.051 6.898 1.00 0.00 N ATOM 686 CA THR A 47 -0.960 1.711 6.178 1.00 0.00 C ATOM 687 C THR A 47 -0.885 0.217 5.876 1.00 0.00 C ATOM 688 O THR A 47 -0.659 -0.186 4.734 1.00 0.00 O ATOM 689 CB THR A 47 0.264 2.135 6.991 1.00 0.00 C ATOM 690 OG1 THR A 47 0.153 3.487 7.399 1.00 0.00 O ATOM 691 CG2 THR A 47 1.565 1.988 6.231 1.00 0.00 C ATOM 0 H THR A 47 -2.054 2.215 7.897 1.00 0.00 H new ATOM 0 HA THR A 47 -0.973 2.248 5.230 1.00 0.00 H new ATOM 0 HB THR A 47 0.286 1.466 7.851 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.467 3.551 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.394 2.305 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.704 0.945 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.535 2.608 5.335 1.00 0.00 H new ATOM 699 N GLY A 48 -1.057 -0.598 6.908 1.00 0.00 N ATOM 700 CA GLY A 48 -0.985 -2.040 6.741 1.00 0.00 C ATOM 701 C GLY A 48 -2.130 -2.586 5.923 1.00 0.00 C ATOM 702 O GLY A 48 -1.916 -3.268 4.920 1.00 0.00 O ATOM 0 H GLY A 48 -1.246 -0.287 7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.042 -2.300 6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.984 -2.516 7.721 1.00 0.00 H new ATOM 706 N MET A 49 -3.348 -2.282 6.349 1.00 0.00 N ATOM 707 CA MET A 49 -4.528 -2.749 5.640 1.00 0.00 C ATOM 708 C MET A 49 -4.651 -2.050 4.298 1.00 0.00 C ATOM 709 O MET A 49 -4.847 -2.706 3.279 1.00 0.00 O ATOM 710 CB MET A 49 -5.793 -2.515 6.466 1.00 0.00 C ATOM 711 CG MET A 49 -5.783 -3.223 7.809 1.00 0.00 C ATOM 712 SD MET A 49 -5.834 -5.019 7.648 1.00 0.00 S ATOM 713 CE MET A 49 -4.125 -5.377 7.251 1.00 0.00 C ATOM 0 H MET A 49 -3.543 -1.718 7.176 1.00 0.00 H new ATOM 0 HA MET A 49 -4.417 -3.821 5.475 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.917 -1.445 6.630 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.658 -2.852 5.894 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.887 -2.937 8.360 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.638 -2.890 8.397 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.837 -6.326 7.704 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.009 -5.442 6.169 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.487 -4.582 7.638 1.00 0.00 H new ATOM 723 N LEU A 50 -4.554 -0.713 4.322 1.00 0.00 N ATOM 724 CA LEU A 50 -4.670 0.128 3.114 1.00 0.00 C ATOM 725 C LEU A 50 -5.416 -0.579 1.982 1.00 0.00 C ATOM 726 O LEU A 50 -6.517 -0.176 1.607 1.00 0.00 O ATOM 727 CB LEU A 50 -3.289 0.552 2.618 1.00 0.00 C ATOM 728 CG LEU A 50 -3.300 1.577 1.477 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.000 2.864 1.904 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.879 1.862 1.013 1.00 0.00 C ATOM 0 H LEU A 50 -4.393 -0.181 5.177 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.247 1.007 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.730 0.969 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.750 -0.335 2.285 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.860 1.156 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.994 3.573 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.030 2.642 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.477 3.297 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.900 2.591 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.298 2.260 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.420 0.939 0.659 1.00 0.00 H new ATOM 742 N LEU A 51 -4.814 -1.638 1.447 1.00 0.00 N ATOM 743 CA LEU A 51 -5.421 -2.405 0.370 1.00 0.00 C ATOM 744 C LEU A 51 -6.519 -3.317 0.912 1.00 0.00 C ATOM 745 O LEU A 51 -6.361 -4.537 0.954 1.00 0.00 O ATOM 746 CB LEU A 51 -4.359 -3.240 -0.354 1.00 0.00 C ATOM 747 CG LEU A 51 -3.571 -2.505 -1.445 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.083 -2.769 -1.300 1.00 0.00 C ATOM 749 CD2 LEU A 51 -4.055 -2.924 -2.826 1.00 0.00 C ATOM 0 H LEU A 51 -3.902 -1.983 1.746 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.866 -1.706 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.654 -3.619 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.846 -4.105 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.742 -1.435 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.541 -2.239 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.745 -2.419 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.893 -3.839 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.485 -2.393 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.914 -3.998 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.113 -2.682 -2.930 1.00 0.00 H new ATOM 761 N GLU A 52 -7.630 -2.718 1.329 1.00 0.00 N ATOM 762 CA GLU A 52 -8.751 -3.477 1.871 1.00 0.00 C ATOM 763 C GLU A 52 -9.802 -3.733 0.798 1.00 0.00 C ATOM 764 O GLU A 52 -9.594 -3.422 -0.373 1.00 0.00 O ATOM 765 CB GLU A 52 -9.377 -2.725 3.047 1.00 0.00 C ATOM 766 CG GLU A 52 -8.605 -2.882 4.346 1.00 0.00 C ATOM 767 CD GLU A 52 -8.579 -4.316 4.838 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.651 -4.833 5.218 1.00 0.00 O ATOM 769 OE2 GLU A 52 -7.487 -4.922 4.844 1.00 0.00 O ATOM 0 H GLU A 52 -7.778 -1.709 1.302 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.375 -4.438 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.442 -1.666 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.397 -3.081 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.583 -2.533 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.054 -2.247 5.110 1.00 0.00 H new ATOM 776 N MET A 53 -10.930 -4.306 1.203 1.00 0.00 N ATOM 777 CA MET A 53 -12.007 -4.602 0.268 1.00 0.00 C ATOM 778 C MET A 53 -12.559 -3.320 -0.347 1.00 0.00 C ATOM 779 O MET A 53 -12.513 -3.137 -1.561 1.00 0.00 O ATOM 780 CB MET A 53 -13.125 -5.370 0.973 1.00 0.00 C ATOM 781 CG MET A 53 -12.650 -6.625 1.683 1.00 0.00 C ATOM 782 SD MET A 53 -12.235 -7.957 0.540 1.00 0.00 S ATOM 783 CE MET A 53 -13.731 -8.940 0.616 1.00 0.00 C ATOM 0 H MET A 53 -11.121 -4.574 2.169 1.00 0.00 H new ATOM 0 HA MET A 53 -11.602 -5.221 -0.533 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.604 -4.712 1.698 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.884 -5.643 0.240 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.776 -6.386 2.289 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.427 -6.967 2.366 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.632 -9.805 -0.040 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.893 -9.277 1.640 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.580 -8.336 0.294 1.00 0.00 H new ATOM 793 N ASP A 54 -13.079 -2.433 0.496 1.00 0.00 N ATOM 794 CA ASP A 54 -13.641 -1.170 0.024 1.00 0.00 C ATOM 795 C ASP A 54 -12.596 -0.060 0.043 1.00 0.00 C ATOM 796 O ASP A 54 -12.123 0.366 -1.011 1.00 0.00 O ATOM 797 CB ASP A 54 -14.848 -0.781 0.876 1.00 0.00 C ATOM 798 CG ASP A 54 -15.364 0.612 0.565 1.00 0.00 C ATOM 799 OD1 ASP A 54 -15.227 1.049 -0.597 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.905 1.264 1.483 1.00 0.00 O ATOM 0 H ASP A 54 -13.123 -2.564 1.507 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.965 -1.306 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.648 -1.504 0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.576 -0.836 1.930 1.00 0.00 H new ATOM 805 N ASN A 55 -12.236 0.408 1.241 1.00 0.00 N ATOM 806 CA ASN A 55 -11.237 1.470 1.378 1.00 0.00 C ATOM 807 C ASN A 55 -10.060 1.212 0.448 1.00 0.00 C ATOM 808 O ASN A 55 -9.403 2.142 -0.020 1.00 0.00 O ATOM 809 CB ASN A 55 -10.737 1.564 2.823 1.00 0.00 C ATOM 810 CG ASN A 55 -9.592 2.550 2.973 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.519 3.546 2.255 1.00 0.00 O ATOM 812 ND2 ASN A 55 -8.683 2.273 3.900 1.00 0.00 N ATOM 0 H ASN A 55 -12.619 0.071 2.124 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.710 2.414 1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.560 1.865 3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.412 0.579 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.888 2.897 4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.780 1.436 4.475 1.00 0.00 H new ATOM 819 N GLY A 56 -9.803 -0.064 0.188 1.00 0.00 N ATOM 820 CA GLY A 56 -8.718 -0.433 -0.679 1.00 0.00 C ATOM 821 C GLY A 56 -8.942 -0.001 -2.116 1.00 0.00 C ATOM 822 O GLY A 56 -8.164 0.781 -2.656 1.00 0.00 O ATOM 0 H GLY A 56 -10.334 -0.848 0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.795 0.014 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.584 -1.514 -0.646 1.00 0.00 H new ATOM 826 N GLU A 57 -9.992 -0.526 -2.749 1.00 0.00 N ATOM 827 CA GLU A 57 -10.281 -0.192 -4.150 1.00 0.00 C ATOM 828 C GLU A 57 -9.910 1.250 -4.492 1.00 0.00 C ATOM 829 O GLU A 57 -9.153 1.501 -5.429 1.00 0.00 O ATOM 830 CB GLU A 57 -11.755 -0.404 -4.468 1.00 0.00 C ATOM 831 CG GLU A 57 -12.262 -1.797 -4.141 1.00 0.00 C ATOM 832 CD GLU A 57 -11.543 -2.880 -4.919 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.307 -2.991 -4.780 1.00 0.00 O ATOM 834 OE2 GLU A 57 -12.217 -3.621 -5.667 1.00 0.00 O ATOM 0 H GLU A 57 -10.651 -1.177 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.668 -0.861 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.345 0.326 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.920 -0.208 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.141 -1.982 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.329 -1.850 -4.355 1.00 0.00 H new ATOM 841 N ILE A 58 -10.452 2.192 -3.731 1.00 0.00 N ATOM 842 CA ILE A 58 -10.181 3.606 -3.961 1.00 0.00 C ATOM 843 C ILE A 58 -8.683 3.893 -3.905 1.00 0.00 C ATOM 844 O ILE A 58 -8.156 4.642 -4.729 1.00 0.00 O ATOM 845 CB ILE A 58 -10.921 4.482 -2.933 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.424 4.213 -3.003 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.636 5.959 -3.172 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.149 4.482 -1.706 1.00 0.00 C ATOM 0 H ILE A 58 -11.081 2.004 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.546 3.852 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.560 4.225 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.859 4.832 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.585 3.174 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.170 6.557 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.565 6.142 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.969 6.237 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.211 4.269 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.741 3.844 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.019 5.528 -1.427 1.00 0.00 H new ATOM 860 N LEU A 59 -8.005 3.290 -2.925 1.00 0.00 N ATOM 861 CA LEU A 59 -6.565 3.463 -2.743 1.00 0.00 C ATOM 862 C LEU A 59 -5.836 3.553 -4.076 1.00 0.00 C ATOM 863 O LEU A 59 -4.850 4.280 -4.208 1.00 0.00 O ATOM 864 CB LEU A 59 -6.004 2.299 -1.934 1.00 0.00 C ATOM 865 CG LEU A 59 -5.562 1.089 -2.761 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.161 1.293 -3.321 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.617 -0.159 -1.916 1.00 0.00 C ATOM 0 H LEU A 59 -8.438 2.671 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.408 4.400 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.152 2.656 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.761 1.975 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.246 0.978 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.871 0.419 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.150 2.176 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.457 1.431 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.301 -1.016 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.953 -0.048 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.637 -0.317 -1.566 1.00 0.00 H new ATOM 879 N ASN A 60 -6.328 2.809 -5.060 1.00 0.00 N ATOM 880 CA ASN A 60 -5.725 2.798 -6.391 1.00 0.00 C ATOM 881 C ASN A 60 -5.395 4.215 -6.862 1.00 0.00 C ATOM 882 O ASN A 60 -4.531 4.410 -7.716 1.00 0.00 O ATOM 883 CB ASN A 60 -6.664 2.124 -7.393 1.00 0.00 C ATOM 884 CG ASN A 60 -5.909 1.432 -8.511 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.684 1.522 -8.595 1.00 0.00 O ATOM 886 ND2 ASN A 60 -6.639 0.738 -9.377 1.00 0.00 N ATOM 0 H ASN A 60 -7.144 2.204 -4.963 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.795 2.232 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.286 1.396 -6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.335 2.870 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.186 0.252 -10.151 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.652 0.691 -9.268 1.00 0.00 H new ATOM 893 N LEU A 61 -6.087 5.205 -6.296 1.00 0.00 N ATOM 894 CA LEU A 61 -5.864 6.599 -6.658 1.00 0.00 C ATOM 895 C LEU A 61 -5.518 7.442 -5.432 1.00 0.00 C ATOM 896 O LEU A 61 -6.173 8.449 -5.174 1.00 0.00 O ATOM 897 CB LEU A 61 -7.109 7.168 -7.335 1.00 0.00 C ATOM 898 CG LEU A 61 -7.732 6.260 -8.397 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.221 6.083 -8.148 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.486 6.824 -9.789 1.00 0.00 C ATOM 0 H LEU A 61 -6.805 5.064 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.021 6.635 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.858 7.377 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.851 8.121 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.258 5.281 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.644 5.434 -8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.375 5.634 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.714 7.055 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.936 6.166 -10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.933 7.815 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.413 6.895 -9.968 1.00 0.00 H new ATOM 912 N LEU A 62 -4.498 7.018 -4.674 1.00 0.00 N ATOM 913 CA LEU A 62 -4.074 7.727 -3.456 1.00 0.00 C ATOM 914 C LEU A 62 -4.374 9.225 -3.532 1.00 0.00 C ATOM 915 O LEU A 62 -3.541 10.018 -3.970 1.00 0.00 O ATOM 916 CB LEU A 62 -2.580 7.514 -3.216 1.00 0.00 C ATOM 917 CG LEU A 62 -2.202 6.142 -2.667 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.884 5.680 -3.260 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.128 6.173 -1.145 1.00 0.00 C ATOM 0 H LEU A 62 -3.948 6.184 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.644 7.313 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.051 7.670 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.227 8.276 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.976 5.430 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.628 4.700 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.976 5.615 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.100 6.393 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.857 5.185 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.376 6.897 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.098 6.460 -0.739 1.00 0.00 H new ATOM 931 N ASP A 63 -5.582 9.593 -3.113 1.00 0.00 N ATOM 932 CA ASP A 63 -6.024 10.981 -3.142 1.00 0.00 C ATOM 933 C ASP A 63 -6.013 11.595 -1.748 1.00 0.00 C ATOM 934 O ASP A 63 -5.960 10.884 -0.746 1.00 0.00 O ATOM 935 CB ASP A 63 -7.432 11.059 -3.733 1.00 0.00 C ATOM 936 CG ASP A 63 -7.429 11.066 -5.249 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.352 10.851 -5.845 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.507 11.284 -5.843 1.00 0.00 O ATOM 0 H ASP A 63 -6.276 8.942 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.331 11.547 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.018 10.211 -3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.925 11.961 -3.370 1.00 0.00 H new ATOM 943 N THR A 64 -6.071 12.920 -1.687 1.00 0.00 N ATOM 944 CA THR A 64 -6.072 13.612 -0.408 1.00 0.00 C ATOM 945 C THR A 64 -7.418 13.451 0.289 1.00 0.00 C ATOM 946 O THR A 64 -7.477 13.042 1.440 1.00 0.00 O ATOM 947 CB THR A 64 -5.746 15.097 -0.592 1.00 0.00 C ATOM 948 OG1 THR A 64 -5.557 15.409 -1.963 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.505 15.526 0.165 1.00 0.00 C ATOM 0 H THR A 64 -6.118 13.531 -2.502 1.00 0.00 H new ATOM 0 HA THR A 64 -5.300 13.164 0.218 1.00 0.00 H new ATOM 0 HB THR A 64 -6.603 15.638 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.352 16.363 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.325 16.588 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.649 15.347 1.231 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.648 14.952 -0.187 1.00 0.00 H new ATOM 957 N PRO A 65 -8.526 13.768 -0.397 1.00 0.00 N ATOM 958 CA PRO A 65 -9.856 13.639 0.189 1.00 0.00 C ATOM 959 C PRO A 65 -10.322 12.183 0.269 1.00 0.00 C ATOM 960 O PRO A 65 -10.477 11.635 1.358 1.00 0.00 O ATOM 961 CB PRO A 65 -10.746 14.444 -0.759 1.00 0.00 C ATOM 962 CG PRO A 65 -10.032 14.461 -2.068 1.00 0.00 C ATOM 963 CD PRO A 65 -8.564 14.272 -1.780 1.00 0.00 C ATOM 0 HA PRO A 65 -9.883 13.996 1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.730 13.985 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.902 15.456 -0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.401 13.668 -2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.204 15.404 -2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.111 13.564 -2.474 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.016 15.209 -1.877 1.00 0.00 H new ATOM 971 N GLY A 66 -10.551 11.570 -0.890 1.00 0.00 N ATOM 972 CA GLY A 66 -11.015 10.191 -0.945 1.00 0.00 C ATOM 973 C GLY A 66 -10.276 9.266 0.000 1.00 0.00 C ATOM 974 O GLY A 66 -10.882 8.657 0.884 1.00 0.00 O ATOM 0 H GLY A 66 -10.422 12.008 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.079 10.164 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.905 9.820 -1.964 1.00 0.00 H new ATOM 978 N LEU A 67 -8.972 9.152 -0.190 1.00 0.00 N ATOM 979 CA LEU A 67 -8.153 8.291 0.639 1.00 0.00 C ATOM 980 C LEU A 67 -8.220 8.697 2.112 1.00 0.00 C ATOM 981 O LEU A 67 -8.728 7.945 2.942 1.00 0.00 O ATOM 982 CB LEU A 67 -6.725 8.320 0.114 1.00 0.00 C ATOM 983 CG LEU A 67 -6.212 6.980 -0.406 1.00 0.00 C ATOM 984 CD1 LEU A 67 -6.022 5.982 0.729 1.00 0.00 C ATOM 985 CD2 LEU A 67 -7.171 6.427 -1.451 1.00 0.00 C ATOM 0 H LEU A 67 -8.457 9.650 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.535 7.272 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.662 9.055 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.065 8.662 0.912 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.238 7.142 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.656 5.038 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.299 6.376 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.975 5.817 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.798 5.471 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.155 6.285 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.248 7.129 -2.282 1.00 0.00 H new ATOM 997 N LEU A 68 -7.709 9.884 2.442 1.00 0.00 N ATOM 998 CA LEU A 68 -7.718 10.365 3.828 1.00 0.00 C ATOM 999 C LEU A 68 -9.070 10.119 4.497 1.00 0.00 C ATOM 1000 O LEU A 68 -9.141 9.894 5.705 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.370 11.853 3.878 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.148 12.207 4.728 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.916 12.346 3.847 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -6.391 13.488 5.513 1.00 0.00 C ATOM 0 H LEU A 68 -7.286 10.528 1.774 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.963 9.803 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.199 12.204 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.231 12.399 4.263 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.977 11.400 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.054 12.598 4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.730 11.404 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.080 13.136 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.510 13.721 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.588 14.307 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.250 13.354 6.170 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.140 10.159 3.706 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.483 9.932 4.232 1.00 0.00 C ATOM 1018 C ASP A 69 -11.695 8.455 4.546 1.00 0.00 C ATOM 1019 O ASP A 69 -11.960 8.086 5.688 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.544 10.407 3.235 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.253 11.661 3.704 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.923 11.604 4.757 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -13.140 12.700 3.020 1.00 0.00 O ATOM 0 H ASP A 69 -10.103 10.345 2.704 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.584 10.507 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.074 10.597 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.276 9.614 3.082 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.571 7.617 3.524 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.747 6.177 3.686 1.00 0.00 C ATOM 1030 C ALA A 70 -10.566 5.548 4.433 1.00 0.00 C ATOM 1031 O ALA A 70 -10.600 4.367 4.778 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.938 5.522 2.326 1.00 0.00 C ATOM 0 H ALA A 70 -11.349 7.909 2.572 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.639 6.007 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.069 4.448 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.821 5.939 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.061 5.709 1.706 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.528 6.345 4.683 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.344 5.873 5.392 1.00 0.00 C ATOM 1040 C LYS A 71 -8.620 5.753 6.885 1.00 0.00 C ATOM 1041 O LYS A 71 -8.435 4.692 7.481 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.192 6.851 5.178 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.357 6.558 3.943 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.037 7.316 3.974 1.00 0.00 C ATOM 1045 CE LYS A 71 -4.939 8.292 2.814 1.00 0.00 C ATOM 1046 NZ LYS A 71 -4.180 9.521 3.150 1.00 0.00 N ATOM 0 H LYS A 71 -9.485 7.325 4.403 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.080 4.891 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.595 7.861 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.545 6.832 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.162 5.487 3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.916 6.834 3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.946 7.856 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.208 6.610 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.461 7.796 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.944 8.569 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.448 10.284 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.398 9.808 4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.161 9.334 3.064 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.063 6.854 7.479 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.366 6.884 8.903 1.00 0.00 C ATOM 1062 C VAL A 72 -10.570 6.012 9.216 1.00 0.00 C ATOM 1063 O VAL A 72 -10.578 5.284 10.204 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.643 8.316 9.396 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.390 9.172 9.287 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.794 8.938 8.620 1.00 0.00 C ATOM 0 H VAL A 72 -9.220 7.738 6.996 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.488 6.499 9.422 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.930 8.268 10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.606 10.180 9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.598 8.736 9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.067 9.213 8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.973 9.950 8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.541 8.973 7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.693 8.338 8.759 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.586 6.088 8.369 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.795 5.303 8.557 1.00 0.00 C ATOM 1078 C GLN A 73 -12.474 3.812 8.596 1.00 0.00 C ATOM 1079 O GLN A 73 -12.931 3.094 9.479 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.797 5.597 7.442 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.113 7.078 7.291 1.00 0.00 C ATOM 1082 CD GLN A 73 -15.054 7.584 8.365 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.628 8.210 9.336 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -16.342 7.317 8.194 1.00 0.00 N ATOM 0 H GLN A 73 -11.596 6.687 7.543 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.238 5.584 9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.402 5.219 6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.721 5.054 7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.185 7.649 7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.558 7.253 6.311 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.650 6.795 7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.024 7.634 8.883 1.00 0.00 H new ATOM 1093 N GLU A 74 -11.680 3.354 7.636 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.302 1.947 7.573 1.00 0.00 C ATOM 1095 C GLU A 74 -10.641 1.498 8.875 1.00 0.00 C ATOM 1096 O GLU A 74 -10.989 0.458 9.428 1.00 0.00 O ATOM 1097 CB GLU A 74 -10.353 1.702 6.396 1.00 0.00 C ATOM 1098 CG GLU A 74 -9.827 0.275 6.323 1.00 0.00 C ATOM 1099 CD GLU A 74 -8.339 0.186 6.602 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -7.547 0.671 5.766 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -7.964 -0.370 7.656 1.00 0.00 O ATOM 0 H GLU A 74 -11.287 3.933 6.894 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.210 1.362 7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.872 1.937 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.509 2.388 6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.365 -0.344 7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.032 -0.134 5.334 1.00 0.00 H new ATOM 1108 N ALA A 75 -9.685 2.292 9.354 1.00 0.00 N ATOM 1109 CA ALA A 75 -8.968 1.977 10.587 1.00 0.00 C ATOM 1110 C ALA A 75 -9.817 2.268 11.822 1.00 0.00 C ATOM 1111 O ALA A 75 -9.719 1.570 12.833 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.663 2.757 10.649 1.00 0.00 C ATOM 0 H ALA A 75 -9.389 3.159 8.906 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.748 0.909 10.581 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.137 2.514 11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.039 2.491 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.876 3.826 10.623 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.645 3.303 11.741 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.503 3.685 12.856 1.00 0.00 C ATOM 1120 C LEU A 76 -12.663 2.705 13.010 1.00 0.00 C ATOM 1121 O LEU A 76 -13.027 2.332 14.125 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.037 5.105 12.655 1.00 0.00 C ATOM 1123 CG LEU A 76 -11.009 6.220 12.849 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.627 7.576 12.544 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.442 6.193 14.260 1.00 0.00 C ATOM 0 H LEU A 76 -10.740 3.893 10.914 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.906 3.658 13.768 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.448 5.182 11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.861 5.268 13.349 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.189 6.052 12.151 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.880 8.357 12.688 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.976 7.593 11.511 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.469 7.751 13.214 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.713 6.995 14.375 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.249 6.331 14.979 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.957 5.233 14.439 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.235 2.287 11.883 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.347 1.342 11.898 1.00 0.00 C ATOM 1139 C GLU A 77 -13.883 -0.017 12.408 1.00 0.00 C ATOM 1140 O GLU A 77 -14.615 -0.710 13.111 1.00 0.00 O ATOM 1141 CB GLU A 77 -14.951 1.201 10.499 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.462 1.052 10.501 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.174 2.323 10.079 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -17.288 2.563 8.857 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.618 3.079 10.968 1.00 0.00 O ATOM 0 H GLU A 77 -12.948 2.587 10.951 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.114 1.726 12.571 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.681 2.075 9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.510 0.334 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.744 0.242 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.794 0.768 11.500 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.655 -0.386 12.050 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.087 -1.660 12.474 1.00 0.00 C ATOM 1154 C VAL A 78 -11.334 -1.522 13.800 1.00 0.00 C ATOM 1155 O VAL A 78 -10.864 -2.508 14.363 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.157 -2.255 11.392 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -9.848 -1.482 11.296 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -10.894 -3.731 11.660 1.00 0.00 C ATOM 0 H VAL A 78 -12.037 0.179 11.468 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.921 -2.346 12.622 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.665 -2.164 10.432 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.218 -1.927 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.057 -0.444 11.039 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.331 -1.521 12.255 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.237 -4.130 10.887 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.418 -3.845 12.634 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.838 -4.276 11.651 1.00 0.00 H new