USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 608 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 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.693 K(o=0.69,f=-0.00025) USER MOD Set 2.1: A 41 THR OG1 : rot -34:sc= 2.14 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.29 (180deg=1.08) USER MOD Single : A 29 GLN : amide:sc= -0.5 K(o=-0.5,f=-6.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.602 K(o=-0.6,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 1.26 (180deg=1.01) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -149:sc= 0 (180deg=-0.116) USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 43 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -110:sc= 0.338 (180deg=-4.07!) USER MOD Single : A 50 SER OG : rot 92:sc= 1.25 USER MOD Single : A 51 TYR OH : rot 30:sc=-0.00529 USER MOD Single : A 52 CYS SG : rot 70:sc= -0.635 USER MOD Single : A 53 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.13) USER MOD Single : A 55 GLN : amide:sc= 0.995 K(o=1,f=-0.13) USER MOD Single : A 59 MET CE :methyl -119:sc= -0.225 (180deg=-1.92!) USER MOD Single : A 60 ASN : amide:sc= 0.647 K(o=0.65,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 74 ASN : amide:sc= 0.357 K(o=0.36,f=-2!) USER MOD Single : A 75 HIS : no HD1:sc= 0.421 K(o=0.42,f=-4.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 82 MET CE :methyl -113:sc= 0 (180deg=-1.42) USER MOD Single : A 91 TYR OH : rot -87:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 80.873 9.315 -11.802 1.00 0.00 N ATOM 291 CA TYR A 21 80.129 8.070 -11.600 1.00 0.00 C ATOM 292 C TYR A 21 79.108 8.218 -10.470 1.00 0.00 C ATOM 293 O TYR A 21 79.338 8.946 -9.505 1.00 0.00 O ATOM 294 CB TYR A 21 81.074 6.895 -11.302 1.00 0.00 C ATOM 295 CG TYR A 21 82.360 7.279 -10.597 1.00 0.00 C ATOM 296 CD1 TYR A 21 82.367 7.609 -9.248 1.00 0.00 C ATOM 297 CD2 TYR A 21 83.568 7.300 -11.284 1.00 0.00 C ATOM 298 CE1 TYR A 21 83.539 7.952 -8.603 1.00 0.00 C ATOM 299 CE2 TYR A 21 84.746 7.642 -10.645 1.00 0.00 C ATOM 300 CZ TYR A 21 84.725 7.966 -9.306 1.00 0.00 C ATOM 301 OH TYR A 21 85.894 8.308 -8.666 1.00 0.00 O ATOM 0 HA TYR A 21 79.597 7.857 -12.527 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.543 6.166 -10.689 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.324 6.400 -12.241 1.00 0.00 H new ATOM 0 HD1 TYR A 21 81.440 7.597 -8.694 1.00 0.00 H new ATOM 0 HD2 TYR A 21 83.587 7.045 -12.333 1.00 0.00 H new ATOM 0 HE1 TYR A 21 83.527 8.208 -7.554 1.00 0.00 H new ATOM 0 HE2 TYR A 21 85.677 7.655 -11.192 1.00 0.00 H new ATOM 0 HH TYR A 21 86.639 8.268 -9.302 1.00 0.00 H new ATOM 311 N ILE A 22 77.980 7.527 -10.603 1.00 0.00 N ATOM 312 CA ILE A 22 76.924 7.585 -9.591 1.00 0.00 C ATOM 313 C ILE A 22 77.039 6.436 -8.584 1.00 0.00 C ATOM 314 O ILE A 22 76.570 6.554 -7.451 1.00 0.00 O ATOM 315 CB ILE A 22 75.519 7.558 -10.230 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.451 6.518 -11.353 1.00 0.00 C ATOM 317 CG2 ILE A 22 75.151 8.939 -10.757 1.00 0.00 C ATOM 318 CD1 ILE A 22 74.087 5.880 -11.506 1.00 0.00 C ATOM 0 H ILE A 22 77.772 6.922 -11.397 1.00 0.00 H new ATOM 0 HA ILE A 22 77.057 8.531 -9.066 1.00 0.00 H new ATOM 0 HB ILE A 22 74.799 7.275 -9.463 1.00 0.00 H new ATOM 0 HG12 ILE A 22 75.728 6.993 -12.294 1.00 0.00 H new ATOM 0 HG13 ILE A 22 76.188 5.738 -11.160 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.158 8.905 -11.205 1.00 0.00 H new ATOM 0 HG22 ILE A 22 75.154 9.655 -9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.878 9.247 -11.509 1.00 0.00 H new ATOM 0 HD11 ILE A 22 74.114 5.155 -12.319 1.00 0.00 H new ATOM 0 HD12 ILE A 22 73.815 5.376 -10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 22 73.348 6.650 -11.730 1.00 0.00 H new ATOM 330 N LYS A 23 77.675 5.336 -9.011 1.00 0.00 N ATOM 331 CA LYS A 23 77.872 4.141 -8.172 1.00 0.00 C ATOM 332 C LYS A 23 76.540 3.479 -7.789 1.00 0.00 C ATOM 333 O LYS A 23 75.833 3.937 -6.889 1.00 0.00 O ATOM 334 CB LYS A 23 78.673 4.478 -6.903 1.00 0.00 C ATOM 335 CG LYS A 23 79.925 5.311 -7.151 1.00 0.00 C ATOM 336 CD LYS A 23 80.570 5.740 -5.841 1.00 0.00 C ATOM 337 CE LYS A 23 80.734 7.252 -5.764 1.00 0.00 C ATOM 338 NZ LYS A 23 80.767 7.735 -4.355 1.00 0.00 N ATOM 0 H LYS A 23 78.068 5.248 -9.948 1.00 0.00 H new ATOM 0 HA LYS A 23 78.441 3.430 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 23 78.025 5.016 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 23 78.961 3.548 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 23 80.639 4.733 -7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 23 79.668 6.192 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 23 79.960 5.397 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 23 81.545 5.262 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 23 81.654 7.544 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 23 79.913 7.734 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 80.880 8.769 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 79.878 7.479 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 81.566 7.295 -3.856 1.00 0.00 H new ATOM 352 N LEU A 24 76.217 2.379 -8.466 1.00 0.00 N ATOM 353 CA LEU A 24 74.978 1.649 -8.200 1.00 0.00 C ATOM 354 C LEU A 24 75.089 0.806 -6.927 1.00 0.00 C ATOM 355 O LEU A 24 76.186 0.433 -6.510 1.00 0.00 O ATOM 356 CB LEU A 24 74.623 0.748 -9.391 1.00 0.00 C ATOM 357 CG LEU A 24 73.878 1.430 -10.545 1.00 0.00 C ATOM 358 CD1 LEU A 24 72.971 2.539 -10.033 1.00 0.00 C ATOM 359 CD2 LEU A 24 74.864 1.974 -11.569 1.00 0.00 C ATOM 0 H LEU A 24 76.795 1.973 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 24 74.186 2.384 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.544 0.316 -9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.013 -0.079 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 24 73.251 0.682 -11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 24 72.456 3.005 -10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 24 72.237 2.120 -9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 24 73.569 3.288 -9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 24 74.318 2.454 -12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 24 75.519 2.702 -11.092 1.00 0.00 H new ATOM 0 HD23 LEU A 24 75.462 1.155 -11.969 1.00 0.00 H new ATOM 371 N LYS A 25 73.945 0.507 -6.313 1.00 0.00 N ATOM 372 CA LYS A 25 73.922 -0.289 -5.086 1.00 0.00 C ATOM 373 C LYS A 25 73.198 -1.622 -5.292 1.00 0.00 C ATOM 374 O LYS A 25 72.166 -1.691 -5.961 1.00 0.00 O ATOM 375 CB LYS A 25 73.254 0.495 -3.953 1.00 0.00 C ATOM 376 CG LYS A 25 74.236 1.095 -2.962 1.00 0.00 C ATOM 377 CD LYS A 25 73.589 2.193 -2.132 1.00 0.00 C ATOM 378 CE LYS A 25 74.537 2.715 -1.063 1.00 0.00 C ATOM 379 NZ LYS A 25 73.848 3.617 -0.100 1.00 0.00 N ATOM 0 H LYS A 25 73.026 0.802 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 25 74.956 -0.504 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.652 1.295 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 25 72.571 -0.166 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 25 74.613 0.313 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 25 75.094 1.500 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 25 73.287 3.013 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 25 72.684 1.809 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 25 74.974 1.874 -0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 25 75.359 3.251 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 74.556 4.158 0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 73.231 4.274 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 73.275 3.050 0.557 1.00 0.00 H new ATOM 393 N VAL A 26 73.756 -2.673 -4.706 1.00 0.00 N ATOM 394 CA VAL A 26 73.186 -4.018 -4.799 1.00 0.00 C ATOM 395 C VAL A 26 72.842 -4.553 -3.405 1.00 0.00 C ATOM 396 O VAL A 26 73.589 -4.343 -2.450 1.00 0.00 O ATOM 397 CB VAL A 26 74.161 -5.003 -5.490 1.00 0.00 C ATOM 398 CG1 VAL A 26 73.423 -6.237 -5.986 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.901 -4.330 -6.637 1.00 0.00 C ATOM 0 H VAL A 26 74.612 -2.622 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 26 72.280 -3.942 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 26 74.896 -5.315 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.129 -6.914 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 26 72.953 -6.743 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 26 72.658 -5.940 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.578 -5.046 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.182 -3.976 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.474 -3.485 -6.255 1.00 0.00 H new ATOM 409 N ILE A 27 71.711 -5.248 -3.293 1.00 0.00 N ATOM 410 CA ILE A 27 71.277 -5.804 -2.012 1.00 0.00 C ATOM 411 C ILE A 27 71.472 -7.322 -1.974 1.00 0.00 C ATOM 412 O ILE A 27 70.818 -8.063 -2.709 1.00 0.00 O ATOM 413 CB ILE A 27 69.790 -5.482 -1.718 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.499 -3.988 -1.914 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.421 -5.907 -0.304 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.405 -3.715 -2.924 1.00 0.00 C ATOM 0 H ILE A 27 71.080 -5.439 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 27 71.897 -5.337 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 27 69.180 -6.044 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 27 69.216 -3.552 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.412 -3.487 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.373 -5.673 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 27 69.579 -6.980 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.046 -5.373 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.252 -2.639 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.695 -4.121 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 27 67.480 -4.188 -2.595 1.00 0.00 H new ATOM 428 N GLY A 28 72.375 -7.776 -1.111 1.00 0.00 N ATOM 429 CA GLY A 28 72.642 -9.201 -0.991 1.00 0.00 C ATOM 430 C GLY A 28 71.976 -9.830 0.222 1.00 0.00 C ATOM 431 O GLY A 28 71.349 -9.137 1.024 1.00 0.00 O ATOM 0 H GLY A 28 72.928 -7.184 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 28 72.296 -9.707 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 28 73.719 -9.359 -0.930 1.00 0.00 H new ATOM 435 N GLN A 29 72.134 -11.147 0.367 1.00 0.00 N ATOM 436 CA GLN A 29 71.541 -11.887 1.494 1.00 0.00 C ATOM 437 C GLN A 29 72.127 -11.455 2.844 1.00 0.00 C ATOM 438 O GLN A 29 71.552 -11.738 3.895 1.00 0.00 O ATOM 439 CB GLN A 29 71.734 -13.398 1.317 1.00 0.00 C ATOM 440 CG GLN A 29 71.333 -13.920 -0.054 1.00 0.00 C ATOM 441 CD GLN A 29 70.643 -15.270 0.015 1.00 0.00 C ATOM 442 OE1 GLN A 29 69.701 -15.542 -0.727 1.00 0.00 O ATOM 443 NE2 GLN A 29 71.109 -16.133 0.904 1.00 0.00 N ATOM 0 H GLN A 29 72.667 -11.728 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 29 70.477 -11.652 1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.781 -13.643 1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 29 71.151 -13.919 2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 29 70.669 -13.201 -0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 29 72.220 -14.001 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 29 71.892 -15.874 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 29 70.685 -17.057 0.989 1.00 0.00 H new ATOM 452 N ASP A 30 73.267 -10.772 2.812 1.00 0.00 N ATOM 453 CA ASP A 30 73.920 -10.305 4.036 1.00 0.00 C ATOM 454 C ASP A 30 73.268 -9.025 4.575 1.00 0.00 C ATOM 455 O ASP A 30 73.617 -8.557 5.658 1.00 0.00 O ATOM 456 CB ASP A 30 75.409 -10.062 3.774 1.00 0.00 C ATOM 457 CG ASP A 30 76.169 -11.348 3.523 1.00 0.00 C ATOM 458 OD1 ASP A 30 76.669 -11.942 4.501 1.00 0.00 O ATOM 459 OD2 ASP A 30 76.264 -11.760 2.347 1.00 0.00 O ATOM 0 H ASP A 30 73.760 -10.528 1.953 1.00 0.00 H new ATOM 0 HA ASP A 30 73.803 -11.082 4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.521 -9.403 2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.846 -9.546 4.629 1.00 0.00 H new ATOM 464 N SER A 31 72.325 -8.466 3.804 1.00 0.00 N ATOM 465 CA SER A 31 71.609 -7.239 4.187 1.00 0.00 C ATOM 466 C SER A 31 72.564 -6.054 4.361 1.00 0.00 C ATOM 467 O SER A 31 72.368 -5.207 5.232 1.00 0.00 O ATOM 468 CB SER A 31 70.803 -7.458 5.473 1.00 0.00 C ATOM 469 OG SER A 31 69.640 -8.231 5.224 1.00 0.00 O ATOM 0 H SER A 31 72.038 -8.848 2.903 1.00 0.00 H new ATOM 0 HA SER A 31 70.923 -7.000 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 31 71.425 -7.960 6.214 1.00 0.00 H new ATOM 0 HB3 SER A 31 70.519 -6.494 5.896 1.00 0.00 H new ATOM 0 HG SER A 31 69.146 -8.357 6.061 1.00 0.00 H new ATOM 475 N SER A 32 73.591 -5.999 3.519 1.00 0.00 N ATOM 476 CA SER A 32 74.576 -4.922 3.578 1.00 0.00 C ATOM 477 C SER A 32 74.555 -4.091 2.297 1.00 0.00 C ATOM 478 O SER A 32 74.156 -4.578 1.237 1.00 0.00 O ATOM 479 CB SER A 32 75.978 -5.490 3.803 1.00 0.00 C ATOM 480 OG SER A 32 76.881 -4.476 4.208 1.00 0.00 O ATOM 0 H SER A 32 73.764 -6.688 2.787 1.00 0.00 H new ATOM 0 HA SER A 32 74.314 -4.276 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 32 75.940 -6.271 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.337 -5.955 2.885 1.00 0.00 H new ATOM 0 HG SER A 32 77.769 -4.866 4.347 1.00 0.00 H new ATOM 486 N GLU A 33 74.990 -2.840 2.396 1.00 0.00 N ATOM 487 CA GLU A 33 75.018 -1.945 1.243 1.00 0.00 C ATOM 488 C GLU A 33 76.399 -1.932 0.587 1.00 0.00 C ATOM 489 O GLU A 33 77.362 -1.402 1.145 1.00 0.00 O ATOM 490 CB GLU A 33 74.622 -0.527 1.661 1.00 0.00 C ATOM 491 CG GLU A 33 73.136 -0.240 1.506 1.00 0.00 C ATOM 492 CD GLU A 33 72.680 0.941 2.342 1.00 0.00 C ATOM 493 OE1 GLU A 33 72.768 2.089 1.849 1.00 0.00 O ATOM 494 OE2 GLU A 33 72.235 0.720 3.488 1.00 0.00 O ATOM 0 H GLU A 33 75.328 -2.422 3.263 1.00 0.00 H new ATOM 0 HA GLU A 33 74.298 -2.316 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.907 -0.371 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 33 75.186 0.190 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.915 -0.045 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.567 -1.125 1.792 1.00 0.00 H new ATOM 501 N ILE A 34 76.488 -2.518 -0.601 1.00 0.00 N ATOM 502 CA ILE A 34 77.749 -2.576 -1.337 1.00 0.00 C ATOM 503 C ILE A 34 77.867 -1.409 -2.318 1.00 0.00 C ATOM 504 O ILE A 34 77.007 -1.213 -3.177 1.00 0.00 O ATOM 505 CB ILE A 34 77.886 -3.910 -2.110 1.00 0.00 C ATOM 506 CG1 ILE A 34 77.746 -5.103 -1.158 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.215 -3.971 -2.856 1.00 0.00 C ATOM 508 CD1 ILE A 34 78.792 -5.147 -0.063 1.00 0.00 C ATOM 0 H ILE A 34 75.702 -2.961 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 34 78.552 -2.508 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 34 77.082 -3.961 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 34 76.757 -5.075 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.803 -6.025 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 34 79.288 -4.917 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.271 -3.146 -3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.036 -3.893 -2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 34 78.623 -6.020 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 34 79.784 -5.209 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 34 78.722 -4.244 0.543 1.00 0.00 H new ATOM 520 N HIS A 35 78.937 -0.632 -2.181 1.00 0.00 N ATOM 521 CA HIS A 35 79.170 0.518 -3.051 1.00 0.00 C ATOM 522 C HIS A 35 80.588 0.504 -3.622 1.00 0.00 C ATOM 523 O HIS A 35 81.566 0.623 -2.881 1.00 0.00 O ATOM 524 CB HIS A 35 78.928 1.821 -2.283 1.00 0.00 C ATOM 525 CG HIS A 35 78.018 2.782 -2.989 1.00 0.00 C ATOM 526 ND1 HIS A 35 77.789 4.066 -2.546 1.00 0.00 N ATOM 527 CD2 HIS A 35 77.276 2.639 -4.113 1.00 0.00 C ATOM 528 CE1 HIS A 35 76.947 4.671 -3.365 1.00 0.00 C ATOM 529 NE2 HIS A 35 76.621 3.828 -4.325 1.00 0.00 N ATOM 0 H HIS A 35 79.658 -0.777 -1.475 1.00 0.00 H new ATOM 0 HA HIS A 35 78.468 0.456 -3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.503 1.583 -1.308 1.00 0.00 H new ATOM 0 HB3 HIS A 35 79.886 2.309 -2.103 1.00 0.00 H new ATOM 0 HD2 HIS A 35 77.211 1.754 -4.729 1.00 0.00 H new ATOM 0 HE1 HIS A 35 76.587 5.684 -3.265 1.00 0.00 H new ATOM 0 HE2 HIS A 35 75.986 4.026 -5.099 1.00 0.00 H new ATOM 537 N PHE A 36 80.687 0.361 -4.938 1.00 0.00 N ATOM 538 CA PHE A 36 81.980 0.331 -5.619 1.00 0.00 C ATOM 539 C PHE A 36 82.028 1.367 -6.744 1.00 0.00 C ATOM 540 O PHE A 36 81.023 2.010 -7.050 1.00 0.00 O ATOM 541 CB PHE A 36 82.249 -1.069 -6.179 1.00 0.00 C ATOM 542 CG PHE A 36 83.528 -1.689 -5.682 1.00 0.00 C ATOM 543 CD1 PHE A 36 83.951 -1.499 -4.374 1.00 0.00 C ATOM 544 CD2 PHE A 36 84.307 -2.464 -6.528 1.00 0.00 C ATOM 545 CE1 PHE A 36 85.125 -2.071 -3.922 1.00 0.00 C ATOM 546 CE2 PHE A 36 85.480 -3.036 -6.079 1.00 0.00 C ATOM 547 CZ PHE A 36 85.891 -2.840 -4.775 1.00 0.00 C ATOM 0 H PHE A 36 79.884 0.263 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 36 82.755 0.578 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 36 81.415 -1.721 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 36 82.282 -1.014 -7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 36 83.356 -0.898 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 36 83.992 -2.622 -7.549 1.00 0.00 H new ATOM 0 HE1 PHE A 36 85.443 -1.916 -2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 36 86.077 -3.638 -6.748 1.00 0.00 H new ATOM 0 HZ PHE A 36 86.809 -3.287 -4.424 1.00 0.00 H new ATOM 557 N LYS A 37 83.196 1.522 -7.362 1.00 0.00 N ATOM 558 CA LYS A 37 83.366 2.488 -8.448 1.00 0.00 C ATOM 559 C LYS A 37 82.851 1.935 -9.782 1.00 0.00 C ATOM 560 O LYS A 37 83.619 1.416 -10.595 1.00 0.00 O ATOM 561 CB LYS A 37 84.841 2.877 -8.578 1.00 0.00 C ATOM 562 CG LYS A 37 85.066 4.178 -9.334 1.00 0.00 C ATOM 563 CD LYS A 37 86.284 4.095 -10.242 1.00 0.00 C ATOM 564 CE LYS A 37 85.888 3.873 -11.694 1.00 0.00 C ATOM 565 NZ LYS A 37 85.707 2.428 -12.010 1.00 0.00 N ATOM 0 H LYS A 37 84.038 0.994 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 37 82.777 3.372 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 37 85.273 2.967 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 37 85.376 2.075 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 37 84.183 4.411 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 37 85.196 4.994 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 37 86.863 5.015 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 37 86.929 3.281 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 37 84.962 4.408 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 37 86.653 4.293 -12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 85.826 2.279 -13.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 86.416 1.868 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 84.753 2.127 -11.725 1.00 0.00 H new ATOM 579 N VAL A 38 81.542 2.056 -10.001 1.00 0.00 N ATOM 580 CA VAL A 38 80.923 1.577 -11.238 1.00 0.00 C ATOM 581 C VAL A 38 80.154 2.695 -11.943 1.00 0.00 C ATOM 582 O VAL A 38 79.449 3.481 -11.307 1.00 0.00 O ATOM 583 CB VAL A 38 79.967 0.387 -10.988 1.00 0.00 C ATOM 584 CG1 VAL A 38 80.729 -0.930 -11.022 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.224 0.544 -9.667 1.00 0.00 C ATOM 0 H VAL A 38 80.891 2.480 -9.340 1.00 0.00 H new ATOM 0 HA VAL A 38 81.739 1.239 -11.876 1.00 0.00 H new ATOM 0 HB VAL A 38 79.227 0.379 -11.789 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.039 -1.754 -10.844 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.198 -1.054 -11.998 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.497 -0.926 -10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 38 78.560 -0.308 -9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.943 0.590 -8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.637 1.462 -9.686 1.00 0.00 H new ATOM 595 N LYS A 39 80.297 2.760 -13.264 1.00 0.00 N ATOM 596 CA LYS A 39 79.613 3.779 -14.061 1.00 0.00 C ATOM 597 C LYS A 39 78.261 3.266 -14.564 1.00 0.00 C ATOM 598 O LYS A 39 77.999 2.061 -14.552 1.00 0.00 O ATOM 599 CB LYS A 39 80.484 4.198 -15.247 1.00 0.00 C ATOM 600 CG LYS A 39 80.915 5.657 -15.203 1.00 0.00 C ATOM 601 CD LYS A 39 81.398 6.137 -16.562 1.00 0.00 C ATOM 602 CE LYS A 39 80.524 7.259 -17.100 1.00 0.00 C ATOM 603 NZ LYS A 39 81.044 7.801 -18.387 1.00 0.00 N ATOM 0 H LYS A 39 80.879 2.121 -13.806 1.00 0.00 H new ATOM 0 HA LYS A 39 79.437 4.645 -13.422 1.00 0.00 H new ATOM 0 HB2 LYS A 39 81.372 3.567 -15.276 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.935 4.018 -16.171 1.00 0.00 H new ATOM 0 HG2 LYS A 39 80.079 6.274 -14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 39 81.711 5.780 -14.469 1.00 0.00 H new ATOM 0 HD2 LYS A 39 82.428 6.484 -16.481 1.00 0.00 H new ATOM 0 HD3 LYS A 39 81.396 5.304 -17.265 1.00 0.00 H new ATOM 0 HE2 LYS A 39 79.509 6.890 -17.245 1.00 0.00 H new ATOM 0 HE3 LYS A 39 80.469 8.061 -16.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 80.420 8.564 -18.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.003 8.176 -18.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 81.072 7.042 -19.097 1.00 0.00 H new ATOM 617 N MET A 40 77.418 4.185 -15.024 1.00 0.00 N ATOM 618 CA MET A 40 76.087 3.831 -15.524 1.00 0.00 C ATOM 619 C MET A 40 76.143 3.203 -16.927 1.00 0.00 C ATOM 620 O MET A 40 75.204 2.526 -17.346 1.00 0.00 O ATOM 621 CB MET A 40 75.194 5.073 -15.554 1.00 0.00 C ATOM 622 CG MET A 40 73.748 4.794 -15.168 1.00 0.00 C ATOM 623 SD MET A 40 72.577 5.420 -16.398 1.00 0.00 S ATOM 624 CE MET A 40 71.020 4.699 -15.860 1.00 0.00 C ATOM 0 H MET A 40 77.630 5.182 -15.062 1.00 0.00 H new ATOM 0 HA MET A 40 75.671 3.088 -14.844 1.00 0.00 H new ATOM 0 HB2 MET A 40 75.604 5.822 -14.876 1.00 0.00 H new ATOM 0 HB3 MET A 40 75.217 5.503 -16.555 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.607 3.720 -15.049 1.00 0.00 H new ATOM 0 HG3 MET A 40 73.537 5.253 -14.202 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.383 4.520 -16.726 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.213 3.755 -15.350 1.00 0.00 H new ATOM 0 HE3 MET A 40 70.519 5.384 -15.177 1.00 0.00 H new ATOM 634 N THR A 41 77.244 3.423 -17.657 1.00 0.00 N ATOM 635 CA THR A 41 77.380 2.874 -19.009 1.00 0.00 C ATOM 636 C THR A 41 78.171 1.557 -19.026 1.00 0.00 C ATOM 637 O THR A 41 78.528 1.050 -20.094 1.00 0.00 O ATOM 638 CB THR A 41 78.053 3.884 -19.968 1.00 0.00 C ATOM 639 OG1 THR A 41 78.124 3.335 -21.291 1.00 0.00 O ATOM 640 CG2 THR A 41 79.454 4.249 -19.491 1.00 0.00 C ATOM 0 H THR A 41 78.043 3.970 -17.338 1.00 0.00 H new ATOM 0 HA THR A 41 76.366 2.672 -19.354 1.00 0.00 H new ATOM 0 HB THR A 41 77.446 4.789 -19.980 1.00 0.00 H new ATOM 0 HG1 THR A 41 78.257 2.366 -21.236 1.00 0.00 H new ATOM 0 HG21 THR A 41 79.901 4.960 -20.186 1.00 0.00 H new ATOM 0 HG22 THR A 41 79.395 4.698 -18.499 1.00 0.00 H new ATOM 0 HG23 THR A 41 80.069 3.350 -19.446 1.00 0.00 H new ATOM 648 N THR A 42 78.436 1.002 -17.847 1.00 0.00 N ATOM 649 CA THR A 42 79.179 -0.257 -17.743 1.00 0.00 C ATOM 650 C THR A 42 78.244 -1.462 -17.798 1.00 0.00 C ATOM 651 O THR A 42 77.097 -1.387 -17.361 1.00 0.00 O ATOM 652 CB THR A 42 80.002 -0.332 -16.440 1.00 0.00 C ATOM 653 OG1 THR A 42 80.062 0.955 -15.814 1.00 0.00 O ATOM 654 CG2 THR A 42 81.412 -0.831 -16.717 1.00 0.00 C ATOM 0 H THR A 42 78.150 1.399 -16.952 1.00 0.00 H new ATOM 0 HA THR A 42 79.857 -0.281 -18.596 1.00 0.00 H new ATOM 0 HB THR A 42 79.507 -1.035 -15.770 1.00 0.00 H new ATOM 0 HG1 THR A 42 79.319 1.046 -15.182 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.972 -0.875 -15.783 1.00 0.00 H new ATOM 0 HG22 THR A 42 81.365 -1.826 -17.160 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.910 -0.150 -17.407 1.00 0.00 H new ATOM 662 N HIS A 43 78.744 -2.571 -18.339 1.00 0.00 N ATOM 663 CA HIS A 43 77.952 -3.798 -18.445 1.00 0.00 C ATOM 664 C HIS A 43 77.743 -4.439 -17.071 1.00 0.00 C ATOM 665 O HIS A 43 78.474 -4.143 -16.122 1.00 0.00 O ATOM 666 CB HIS A 43 78.628 -4.788 -19.394 1.00 0.00 C ATOM 667 CG HIS A 43 78.301 -4.553 -20.836 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.260 -4.448 -21.820 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.109 -4.403 -21.461 1.00 0.00 C ATOM 670 CE1 HIS A 43 78.676 -4.244 -22.987 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.370 -4.212 -22.796 1.00 0.00 N ATOM 0 H HIS A 43 79.691 -2.647 -18.710 1.00 0.00 H new ATOM 0 HA HIS A 43 76.974 -3.534 -18.849 1.00 0.00 H new ATOM 0 HB2 HIS A 43 79.708 -4.727 -19.260 1.00 0.00 H new ATOM 0 HB3 HIS A 43 78.330 -5.801 -19.123 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.134 -4.429 -20.996 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.180 -4.124 -23.935 1.00 0.00 H new ATOM 0 HE2 HIS A 43 76.668 -4.069 -23.522 1.00 0.00 H new ATOM 679 N LEU A 44 76.763 -5.336 -16.971 1.00 0.00 N ATOM 680 CA LEU A 44 76.450 -5.987 -15.697 1.00 0.00 C ATOM 681 C LEU A 44 77.576 -6.900 -15.177 1.00 0.00 C ATOM 682 O LEU A 44 77.562 -7.279 -14.005 1.00 0.00 O ATOM 683 CB LEU A 44 75.144 -6.770 -15.809 1.00 0.00 C ATOM 684 CG LEU A 44 73.942 -6.135 -15.097 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.189 -6.048 -13.600 1.00 0.00 C ATOM 686 CD2 LEU A 44 73.641 -4.756 -15.669 1.00 0.00 C ATOM 0 H LEU A 44 76.174 -5.628 -17.751 1.00 0.00 H new ATOM 0 HA LEU A 44 76.342 -5.187 -14.964 1.00 0.00 H new ATOM 0 HB2 LEU A 44 74.900 -6.890 -16.864 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.301 -7.769 -15.403 1.00 0.00 H new ATOM 0 HG LEU A 44 73.074 -6.772 -15.266 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.325 -5.595 -13.114 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.347 -7.049 -13.199 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.072 -5.438 -13.412 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.785 -4.325 -15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 44 74.509 -4.110 -15.537 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.413 -4.845 -16.731 1.00 0.00 H new ATOM 698 N LYS A 45 78.539 -7.266 -16.029 1.00 0.00 N ATOM 699 CA LYS A 45 79.648 -8.121 -15.592 1.00 0.00 C ATOM 700 C LYS A 45 80.517 -7.403 -14.554 1.00 0.00 C ATOM 701 O LYS A 45 81.020 -8.022 -13.617 1.00 0.00 O ATOM 702 CB LYS A 45 80.509 -8.564 -16.783 1.00 0.00 C ATOM 703 CG LYS A 45 80.900 -7.439 -17.730 1.00 0.00 C ATOM 704 CD LYS A 45 82.393 -7.148 -17.667 1.00 0.00 C ATOM 705 CE LYS A 45 83.184 -8.096 -18.558 1.00 0.00 C ATOM 706 NZ LYS A 45 84.423 -8.580 -17.888 1.00 0.00 N ATOM 0 H LYS A 45 78.574 -6.989 -17.010 1.00 0.00 H new ATOM 0 HA LYS A 45 79.215 -9.009 -15.131 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.416 -9.035 -16.404 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.966 -9.324 -17.345 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.624 -7.708 -18.749 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.342 -6.538 -17.476 1.00 0.00 H new ATOM 0 HD2 LYS A 45 82.577 -6.119 -17.975 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.740 -7.240 -16.638 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.560 -8.948 -18.827 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.447 -7.588 -19.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 84.934 -9.223 -18.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.031 -7.769 -17.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 84.171 -9.087 -17.016 1.00 0.00 H new ATOM 720 N LYS A 46 80.669 -6.088 -14.718 1.00 0.00 N ATOM 721 CA LYS A 46 81.466 -5.285 -13.793 1.00 0.00 C ATOM 722 C LYS A 46 80.704 -5.024 -12.494 1.00 0.00 C ATOM 723 O LYS A 46 81.293 -4.993 -11.414 1.00 0.00 O ATOM 724 CB LYS A 46 81.857 -3.957 -14.446 1.00 0.00 C ATOM 725 CG LYS A 46 83.067 -4.059 -15.361 1.00 0.00 C ATOM 726 CD LYS A 46 84.340 -3.630 -14.652 1.00 0.00 C ATOM 727 CE LYS A 46 85.554 -3.763 -15.559 1.00 0.00 C ATOM 728 NZ LYS A 46 86.831 -3.690 -14.795 1.00 0.00 N ATOM 0 H LYS A 46 80.251 -5.558 -15.482 1.00 0.00 H new ATOM 0 HA LYS A 46 82.370 -5.845 -13.553 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.010 -3.581 -15.019 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.064 -3.225 -13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 46 83.173 -5.085 -15.712 1.00 0.00 H new ATOM 0 HG3 LYS A 46 82.912 -3.435 -16.241 1.00 0.00 H new ATOM 0 HD2 LYS A 46 84.243 -2.596 -14.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.483 -4.238 -13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 46 85.505 -4.712 -16.094 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.535 -2.973 -16.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 87.633 -3.785 -15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 86.890 -2.775 -14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 86.862 -4.460 -14.096 1.00 0.00 H new ATOM 742 N LEU A 47 79.390 -4.840 -12.608 1.00 0.00 N ATOM 743 CA LEU A 47 78.540 -4.588 -11.445 1.00 0.00 C ATOM 744 C LEU A 47 78.412 -5.839 -10.572 1.00 0.00 C ATOM 745 O LEU A 47 78.540 -5.772 -9.348 1.00 0.00 O ATOM 746 CB LEU A 47 77.152 -4.121 -11.895 1.00 0.00 C ATOM 747 CG LEU A 47 76.758 -2.714 -11.438 1.00 0.00 C ATOM 748 CD1 LEU A 47 75.785 -2.086 -12.422 1.00 0.00 C ATOM 749 CD2 LEU A 47 76.152 -2.758 -10.043 1.00 0.00 C ATOM 0 H LEU A 47 78.889 -4.861 -13.496 1.00 0.00 H new ATOM 0 HA LEU A 47 79.008 -3.803 -10.851 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.109 -4.157 -12.984 1.00 0.00 H new ATOM 0 HB3 LEU A 47 76.410 -4.828 -11.523 1.00 0.00 H new ATOM 0 HG LEU A 47 77.657 -2.099 -11.404 1.00 0.00 H new ATOM 0 HD11 LEU A 47 75.516 -1.086 -12.080 1.00 0.00 H new ATOM 0 HD12 LEU A 47 76.253 -2.020 -13.404 1.00 0.00 H new ATOM 0 HD13 LEU A 47 74.887 -2.700 -12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 47 75.878 -1.750 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 47 75.263 -3.389 -10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 47 76.880 -3.167 -9.343 1.00 0.00 H new ATOM 761 N LYS A 48 78.163 -6.982 -11.214 1.00 0.00 N ATOM 762 CA LYS A 48 78.020 -8.254 -10.505 1.00 0.00 C ATOM 763 C LYS A 48 79.330 -8.663 -9.825 1.00 0.00 C ATOM 764 O LYS A 48 79.344 -9.017 -8.646 1.00 0.00 O ATOM 765 CB LYS A 48 77.578 -9.352 -11.476 1.00 0.00 C ATOM 766 CG LYS A 48 76.170 -9.870 -11.225 1.00 0.00 C ATOM 767 CD LYS A 48 75.237 -9.542 -12.381 1.00 0.00 C ATOM 768 CE LYS A 48 75.438 -10.493 -13.550 1.00 0.00 C ATOM 769 NZ LYS A 48 76.232 -9.863 -14.640 1.00 0.00 N ATOM 0 H LYS A 48 78.056 -7.052 -12.226 1.00 0.00 H new ATOM 0 HA LYS A 48 77.261 -8.123 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.636 -8.967 -12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.278 -10.185 -11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.200 -10.949 -11.076 1.00 0.00 H new ATOM 0 HG3 LYS A 48 75.779 -9.432 -10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.203 -9.596 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.411 -8.518 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.945 -11.394 -13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 48 74.468 -10.803 -13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 75.617 -9.687 -15.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 76.628 -8.962 -14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 77.006 -10.499 -14.918 1.00 0.00 H new ATOM 783 N GLU A 49 80.434 -8.594 -10.574 1.00 0.00 N ATOM 784 CA GLU A 49 81.752 -8.960 -10.049 1.00 0.00 C ATOM 785 C GLU A 49 82.182 -8.048 -8.897 1.00 0.00 C ATOM 786 O GLU A 49 82.914 -8.475 -8.004 1.00 0.00 O ATOM 787 CB GLU A 49 82.801 -8.910 -11.164 1.00 0.00 C ATOM 788 CG GLU A 49 83.138 -10.275 -11.746 1.00 0.00 C ATOM 789 CD GLU A 49 83.327 -10.240 -13.253 1.00 0.00 C ATOM 790 OE1 GLU A 49 84.177 -9.456 -13.729 1.00 0.00 O ATOM 791 OE2 GLU A 49 82.630 -11.001 -13.957 1.00 0.00 O ATOM 0 H GLU A 49 80.441 -8.288 -11.547 1.00 0.00 H new ATOM 0 HA GLU A 49 81.675 -9.976 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.439 -8.263 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.712 -8.456 -10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.048 -10.650 -11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.341 -10.977 -11.500 1.00 0.00 H new ATOM 798 N SER A 50 81.715 -6.798 -8.913 1.00 0.00 N ATOM 799 CA SER A 50 82.059 -5.831 -7.866 1.00 0.00 C ATOM 800 C SER A 50 81.491 -6.268 -6.518 1.00 0.00 C ATOM 801 O SER A 50 82.196 -6.275 -5.509 1.00 0.00 O ATOM 802 CB SER A 50 81.531 -4.440 -8.221 1.00 0.00 C ATOM 803 OG SER A 50 82.282 -3.860 -9.273 1.00 0.00 O ATOM 0 H SER A 50 81.098 -6.431 -9.638 1.00 0.00 H new ATOM 0 HA SER A 50 83.146 -5.789 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 50 80.483 -4.510 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 50 81.574 -3.797 -7.342 1.00 0.00 H new ATOM 0 HG SER A 50 81.863 -4.076 -10.132 1.00 0.00 H new ATOM 809 N TYR A 51 80.211 -6.630 -6.519 1.00 0.00 N ATOM 810 CA TYR A 51 79.533 -7.087 -5.299 1.00 0.00 C ATOM 811 C TYR A 51 80.198 -8.353 -4.727 1.00 0.00 C ATOM 812 O TYR A 51 80.443 -8.442 -3.522 1.00 0.00 O ATOM 813 CB TYR A 51 78.034 -7.342 -5.572 1.00 0.00 C ATOM 814 CG TYR A 51 77.442 -8.480 -4.768 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.067 -8.300 -3.443 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.267 -9.735 -5.335 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.535 -9.340 -2.706 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.736 -10.780 -4.603 1.00 0.00 C ATOM 819 CZ TYR A 51 76.372 -10.576 -3.289 1.00 0.00 C ATOM 820 OH TYR A 51 75.845 -11.613 -2.554 1.00 0.00 O ATOM 0 H TYR A 51 79.618 -6.617 -7.349 1.00 0.00 H new ATOM 0 HA TYR A 51 79.623 -6.296 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 51 77.477 -6.431 -5.356 1.00 0.00 H new ATOM 0 HB3 TYR A 51 77.900 -7.553 -6.633 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.193 -7.332 -2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.550 -9.897 -6.364 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.248 -9.184 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.607 -11.751 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 51 75.230 -11.256 -1.880 1.00 0.00 H new ATOM 830 N CYS A 52 80.501 -9.319 -5.597 1.00 0.00 N ATOM 831 CA CYS A 52 81.124 -10.577 -5.168 1.00 0.00 C ATOM 832 C CYS A 52 82.536 -10.353 -4.627 1.00 0.00 C ATOM 833 O CYS A 52 82.915 -10.923 -3.603 1.00 0.00 O ATOM 834 CB CYS A 52 81.176 -11.580 -6.323 1.00 0.00 C ATOM 835 SG CYS A 52 79.615 -11.765 -7.217 1.00 0.00 S ATOM 0 H CYS A 52 80.326 -9.256 -6.600 1.00 0.00 H new ATOM 0 HA CYS A 52 80.506 -10.980 -4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.949 -11.268 -7.025 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.475 -12.552 -5.931 1.00 0.00 H new ATOM 0 HG CYS A 52 79.370 -10.681 -7.892 1.00 0.00 H new ATOM 841 N GLN A 53 83.310 -9.521 -5.323 1.00 0.00 N ATOM 842 CA GLN A 53 84.684 -9.219 -4.919 1.00 0.00 C ATOM 843 C GLN A 53 84.720 -8.464 -3.582 1.00 0.00 C ATOM 844 O GLN A 53 85.652 -8.630 -2.795 1.00 0.00 O ATOM 845 CB GLN A 53 85.388 -8.425 -6.031 1.00 0.00 C ATOM 846 CG GLN A 53 86.122 -7.179 -5.560 1.00 0.00 C ATOM 847 CD GLN A 53 87.488 -7.028 -6.202 1.00 0.00 C ATOM 848 OE1 GLN A 53 88.327 -7.922 -6.123 1.00 0.00 O ATOM 849 NE2 GLN A 53 87.721 -5.898 -6.845 1.00 0.00 N ATOM 0 H GLN A 53 83.008 -9.043 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 53 85.219 -10.157 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.100 -9.081 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 53 84.646 -8.133 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 53 85.519 -6.300 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.236 -7.217 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 53 87.000 -5.178 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 53 88.622 -5.745 -7.297 1.00 0.00 H new ATOM 858 N ARG A 54 83.698 -7.641 -3.329 1.00 0.00 N ATOM 859 CA ARG A 54 83.612 -6.876 -2.083 1.00 0.00 C ATOM 860 C ARG A 54 83.449 -7.805 -0.878 1.00 0.00 C ATOM 861 O ARG A 54 84.116 -7.637 0.142 1.00 0.00 O ATOM 862 CB ARG A 54 82.441 -5.892 -2.145 1.00 0.00 C ATOM 863 CG ARG A 54 82.867 -4.431 -2.137 1.00 0.00 C ATOM 864 CD ARG A 54 82.658 -3.793 -0.773 1.00 0.00 C ATOM 865 NE ARG A 54 82.296 -2.380 -0.878 1.00 0.00 N ATOM 866 CZ ARG A 54 81.414 -1.780 -0.094 1.00 0.00 C ATOM 867 NH1 ARG A 54 80.789 -2.450 0.844 1.00 0.00 N ATOM 868 NH2 ARG A 54 81.149 -0.508 -0.257 1.00 0.00 N ATOM 0 H ARG A 54 82.920 -7.488 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 54 84.542 -6.319 -1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 54 81.862 -6.087 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 54 81.781 -6.073 -1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.918 -4.357 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 54 82.298 -3.882 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 54 81.874 -4.329 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.570 -3.891 -0.184 1.00 0.00 H new ATOM 0 HE ARG A 54 82.751 -1.822 -1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 54 80.981 -3.443 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 54 80.111 -1.978 1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.622 0.022 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.469 -0.047 0.348 1.00 0.00 H new ATOM 882 N GLN A 55 82.548 -8.779 -1.000 1.00 0.00 N ATOM 883 CA GLN A 55 82.311 -9.747 0.077 1.00 0.00 C ATOM 884 C GLN A 55 83.431 -10.794 0.149 1.00 0.00 C ATOM 885 O GLN A 55 83.893 -11.146 1.233 1.00 0.00 O ATOM 886 CB GLN A 55 80.964 -10.457 -0.107 1.00 0.00 C ATOM 887 CG GLN A 55 79.798 -9.532 -0.438 1.00 0.00 C ATOM 888 CD GLN A 55 78.552 -9.860 0.366 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.897 -8.976 0.912 1.00 0.00 O ATOM 890 NE2 GLN A 55 78.216 -11.137 0.443 1.00 0.00 N ATOM 0 H GLN A 55 81.971 -8.921 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 55 82.296 -9.185 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 55 81.063 -11.194 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.729 -11.004 0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.090 -8.500 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.570 -9.605 -1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.785 -11.843 -0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 55 77.388 -11.416 0.969 1.00 0.00 H new ATOM 899 N GLY A 56 83.858 -11.295 -1.011 1.00 0.00 N ATOM 900 CA GLY A 56 84.912 -12.295 -1.048 1.00 0.00 C ATOM 901 C GLY A 56 84.392 -13.684 -1.388 1.00 0.00 C ATOM 902 O GLY A 56 84.941 -14.687 -0.937 1.00 0.00 O ATOM 0 H GLY A 56 83.492 -11.025 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.660 -12.001 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 56 85.412 -12.326 -0.080 1.00 0.00 H new ATOM 906 N VAL A 57 83.335 -13.738 -2.196 1.00 0.00 N ATOM 907 CA VAL A 57 82.734 -15.012 -2.592 1.00 0.00 C ATOM 908 C VAL A 57 82.555 -15.095 -4.110 1.00 0.00 C ATOM 909 O VAL A 57 82.320 -14.084 -4.771 1.00 0.00 O ATOM 910 CB VAL A 57 81.360 -15.233 -1.914 1.00 0.00 C ATOM 911 CG1 VAL A 57 81.537 -15.794 -0.512 1.00 0.00 C ATOM 912 CG2 VAL A 57 80.550 -13.944 -1.881 1.00 0.00 C ATOM 0 H VAL A 57 82.877 -12.916 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 57 83.421 -15.792 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 57 80.806 -15.961 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 57 80.559 -15.942 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 57 82.061 -16.748 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 57 82.118 -15.094 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 57 79.590 -14.130 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 57 81.096 -13.185 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.383 -13.593 -2.899 1.00 0.00 H new ATOM 922 N PRO A 58 82.677 -16.306 -4.684 1.00 0.00 N ATOM 923 CA PRO A 58 82.518 -16.516 -6.128 1.00 0.00 C ATOM 924 C PRO A 58 81.061 -16.421 -6.581 1.00 0.00 C ATOM 925 O PRO A 58 80.144 -16.806 -5.852 1.00 0.00 O ATOM 926 CB PRO A 58 83.055 -17.933 -6.341 1.00 0.00 C ATOM 927 CG PRO A 58 82.840 -18.619 -5.035 1.00 0.00 C ATOM 928 CD PRO A 58 82.996 -17.563 -3.974 1.00 0.00 C ATOM 0 HA PRO A 58 83.040 -15.754 -6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 58 82.525 -18.440 -7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 58 84.111 -17.920 -6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.849 -19.071 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 58 83.563 -19.422 -4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 58 82.319 -17.733 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 58 84.008 -17.549 -3.568 1.00 0.00 H new ATOM 936 N MET A 59 80.850 -15.929 -7.799 1.00 0.00 N ATOM 937 CA MET A 59 79.499 -15.778 -8.351 1.00 0.00 C ATOM 938 C MET A 59 78.979 -17.087 -8.961 1.00 0.00 C ATOM 939 O MET A 59 78.297 -17.079 -9.986 1.00 0.00 O ATOM 940 CB MET A 59 79.479 -14.662 -9.404 1.00 0.00 C ATOM 941 CG MET A 59 80.602 -14.753 -10.428 1.00 0.00 C ATOM 942 SD MET A 59 80.082 -14.244 -12.077 1.00 0.00 S ATOM 943 CE MET A 59 79.884 -12.480 -11.846 1.00 0.00 C ATOM 0 H MET A 59 81.596 -15.627 -8.426 1.00 0.00 H new ATOM 0 HA MET A 59 78.837 -15.512 -7.527 1.00 0.00 H new ATOM 0 HB2 MET A 59 78.523 -14.687 -9.926 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.540 -13.699 -8.898 1.00 0.00 H new ATOM 0 HG2 MET A 59 81.434 -14.128 -10.105 1.00 0.00 H new ATOM 0 HG3 MET A 59 80.970 -15.778 -10.468 1.00 0.00 H new ATOM 0 HE1 MET A 59 78.849 -12.201 -12.044 1.00 0.00 H new ATOM 0 HE2 MET A 59 80.141 -12.216 -10.820 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.541 -11.947 -12.533 1.00 0.00 H new ATOM 953 N ASN A 60 79.296 -18.209 -8.322 1.00 0.00 N ATOM 954 CA ASN A 60 78.855 -19.519 -8.807 1.00 0.00 C ATOM 955 C ASN A 60 77.755 -20.121 -7.921 1.00 0.00 C ATOM 956 O ASN A 60 77.164 -21.142 -8.272 1.00 0.00 O ATOM 957 CB ASN A 60 80.044 -20.481 -8.883 1.00 0.00 C ATOM 958 CG ASN A 60 80.031 -21.319 -10.149 1.00 0.00 C ATOM 959 OD1 ASN A 60 80.991 -21.329 -10.911 1.00 0.00 O ATOM 960 ND2 ASN A 60 78.938 -22.030 -10.378 1.00 0.00 N ATOM 0 H ASN A 60 79.855 -18.241 -7.469 1.00 0.00 H new ATOM 0 HA ASN A 60 78.436 -19.373 -9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 60 80.972 -19.911 -8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 60 80.031 -21.140 -8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.874 -22.613 -11.213 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.160 -21.995 -9.720 1.00 0.00 H new ATOM 967 N SER A 61 77.487 -19.495 -6.776 1.00 0.00 N ATOM 968 CA SER A 61 76.459 -19.988 -5.855 1.00 0.00 C ATOM 969 C SER A 61 75.373 -18.940 -5.597 1.00 0.00 C ATOM 970 O SER A 61 74.450 -19.171 -4.811 1.00 0.00 O ATOM 971 CB SER A 61 77.094 -20.407 -4.529 1.00 0.00 C ATOM 972 OG SER A 61 77.651 -19.291 -3.855 1.00 0.00 O ATOM 0 H SER A 61 77.964 -18.649 -6.463 1.00 0.00 H new ATOM 0 HA SER A 61 75.988 -20.851 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 61 76.343 -20.880 -3.896 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.870 -21.150 -4.713 1.00 0.00 H new ATOM 0 HG SER A 61 78.049 -19.585 -3.009 1.00 0.00 H new ATOM 978 N LEU A 62 75.484 -17.786 -6.249 1.00 0.00 N ATOM 979 CA LEU A 62 74.499 -16.716 -6.079 1.00 0.00 C ATOM 980 C LEU A 62 74.008 -16.190 -7.429 1.00 0.00 C ATOM 981 O LEU A 62 74.737 -16.219 -8.421 1.00 0.00 O ATOM 982 CB LEU A 62 75.079 -15.566 -5.244 1.00 0.00 C ATOM 983 CG LEU A 62 76.510 -15.141 -5.597 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.502 -13.935 -6.525 1.00 0.00 C ATOM 985 CD2 LEU A 62 77.297 -14.833 -4.332 1.00 0.00 C ATOM 0 H LEU A 62 76.241 -17.566 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 62 73.646 -17.139 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.426 -14.700 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 62 75.055 -15.856 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 62 76.994 -15.967 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.527 -13.651 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.974 -14.187 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.999 -13.102 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.311 -14.533 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.810 -14.024 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 62 77.335 -15.722 -3.702 1.00 0.00 H new ATOM 997 N ARG A 63 72.770 -15.711 -7.457 1.00 0.00 N ATOM 998 CA ARG A 63 72.183 -15.169 -8.678 1.00 0.00 C ATOM 999 C ARG A 63 71.700 -13.729 -8.459 1.00 0.00 C ATOM 1000 O ARG A 63 71.248 -13.374 -7.367 1.00 0.00 O ATOM 1001 CB ARG A 63 71.039 -16.081 -9.163 1.00 0.00 C ATOM 1002 CG ARG A 63 69.637 -15.525 -8.942 1.00 0.00 C ATOM 1003 CD ARG A 63 68.835 -15.510 -10.237 1.00 0.00 C ATOM 1004 NE ARG A 63 69.291 -14.459 -11.146 1.00 0.00 N ATOM 1005 CZ ARG A 63 69.721 -14.676 -12.380 1.00 0.00 C ATOM 1006 NH1 ARG A 63 69.732 -15.887 -12.885 1.00 0.00 N ATOM 1007 NH2 ARG A 63 70.141 -13.671 -13.108 1.00 0.00 N ATOM 0 H ARG A 63 72.151 -15.687 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 63 72.948 -15.140 -9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 63 71.174 -16.274 -10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.118 -17.041 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 63 69.118 -16.129 -8.198 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.704 -14.513 -8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.921 -16.479 -10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 63 67.780 -15.361 -10.009 1.00 0.00 H new ATOM 0 HE ARG A 63 69.277 -13.497 -10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 63 69.407 -16.676 -12.326 1.00 0.00 H new ATOM 0 HH12 ARG A 63 70.066 -16.040 -13.837 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.136 -12.726 -12.724 1.00 0.00 H new ATOM 0 HH22 ARG A 63 70.473 -13.834 -14.059 1.00 0.00 H new ATOM 1021 N LEU A 64 71.808 -12.905 -9.496 1.00 0.00 N ATOM 1022 CA LEU A 64 71.391 -11.502 -9.413 1.00 0.00 C ATOM 1023 C LEU A 64 70.190 -11.232 -10.319 1.00 0.00 C ATOM 1024 O LEU A 64 70.256 -11.427 -11.534 1.00 0.00 O ATOM 1025 CB LEU A 64 72.559 -10.581 -9.784 1.00 0.00 C ATOM 1026 CG LEU A 64 73.283 -9.944 -8.595 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.503 -10.765 -8.207 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.681 -8.513 -8.919 1.00 0.00 C ATOM 0 H LEU A 64 72.180 -13.180 -10.405 1.00 0.00 H new ATOM 0 HA LEU A 64 71.091 -11.295 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.282 -11.152 -10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.185 -9.787 -10.430 1.00 0.00 H new ATOM 0 HG LEU A 64 72.600 -9.927 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.003 -10.295 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.191 -11.772 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.190 -10.817 -9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.194 -8.075 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.346 -8.507 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 64 72.788 -7.929 -9.144 1.00 0.00 H new ATOM 1040 N LEU A 65 69.093 -10.775 -9.721 1.00 0.00 N ATOM 1041 CA LEU A 65 67.866 -10.497 -10.476 1.00 0.00 C ATOM 1042 C LEU A 65 67.151 -9.232 -9.989 1.00 0.00 C ATOM 1043 O LEU A 65 67.361 -8.775 -8.862 1.00 0.00 O ATOM 1044 CB LEU A 65 66.924 -11.733 -10.476 1.00 0.00 C ATOM 1045 CG LEU A 65 66.069 -12.032 -9.213 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.828 -11.813 -7.915 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.781 -11.223 -9.221 1.00 0.00 C ATOM 0 H LEU A 65 69.024 -10.589 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 65 68.159 -10.300 -11.507 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.240 -11.625 -11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.536 -12.613 -10.674 1.00 0.00 H new ATOM 0 HG LEU A 65 65.821 -13.093 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.177 -12.038 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.698 -12.469 -7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.154 -10.775 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.202 -11.452 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.019 -10.160 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.197 -11.477 -10.106 1.00 0.00 H new ATOM 1059 N PHE A 66 66.321 -8.656 -10.857 1.00 0.00 N ATOM 1060 CA PHE A 66 65.569 -7.447 -10.519 1.00 0.00 C ATOM 1061 C PHE A 66 64.086 -7.597 -10.885 1.00 0.00 C ATOM 1062 O PHE A 66 63.754 -7.872 -12.034 1.00 0.00 O ATOM 1063 CB PHE A 66 66.165 -6.227 -11.234 1.00 0.00 C ATOM 1064 CG PHE A 66 65.314 -4.989 -11.133 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.151 -4.340 -9.920 1.00 0.00 C ATOM 1066 CD2 PHE A 66 64.677 -4.477 -12.252 1.00 0.00 C ATOM 1067 CE1 PHE A 66 64.368 -3.207 -9.825 1.00 0.00 C ATOM 1068 CE2 PHE A 66 63.891 -3.345 -12.164 1.00 0.00 C ATOM 1069 CZ PHE A 66 63.737 -2.708 -10.948 1.00 0.00 C ATOM 0 H PHE A 66 66.152 -9.006 -11.800 1.00 0.00 H new ATOM 0 HA PHE A 66 65.643 -7.299 -9.442 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.149 -6.016 -10.814 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.313 -6.470 -12.286 1.00 0.00 H new ATOM 0 HD1 PHE A 66 65.642 -4.725 -9.038 1.00 0.00 H new ATOM 0 HD2 PHE A 66 64.797 -4.970 -13.206 1.00 0.00 H new ATOM 0 HE1 PHE A 66 64.249 -2.711 -8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 66 63.398 -2.959 -13.044 1.00 0.00 H new ATOM 0 HZ PHE A 66 63.124 -1.822 -10.875 1.00 0.00 H new ATOM 1079 N GLU A 67 63.217 -7.431 -9.876 1.00 0.00 N ATOM 1080 CA GLU A 67 61.746 -7.513 -10.029 1.00 0.00 C ATOM 1081 C GLU A 67 61.262 -8.796 -10.740 1.00 0.00 C ATOM 1082 O GLU A 67 60.143 -8.846 -11.256 1.00 0.00 O ATOM 1083 CB GLU A 67 61.204 -6.249 -10.731 1.00 0.00 C ATOM 1084 CG GLU A 67 61.240 -6.287 -12.257 1.00 0.00 C ATOM 1085 CD GLU A 67 60.254 -5.324 -12.891 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.115 -5.219 -12.387 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.620 -4.672 -13.891 1.00 0.00 O ATOM 0 H GLU A 67 63.513 -7.234 -8.920 1.00 0.00 H new ATOM 0 HA GLU A 67 61.337 -7.567 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.174 -6.089 -10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.781 -5.389 -10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.247 -6.047 -12.598 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.022 -7.300 -12.596 1.00 0.00 H new ATOM 1094 N GLY A 68 62.085 -9.841 -10.735 1.00 0.00 N ATOM 1095 CA GLY A 68 61.704 -11.095 -11.377 1.00 0.00 C ATOM 1096 C GLY A 68 62.219 -11.223 -12.804 1.00 0.00 C ATOM 1097 O GLY A 68 61.983 -12.235 -13.463 1.00 0.00 O ATOM 0 H GLY A 68 63.008 -9.846 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.084 -11.928 -10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.617 -11.177 -11.382 1.00 0.00 H new ATOM 1101 N GLN A 69 62.924 -10.202 -13.280 1.00 0.00 N ATOM 1102 CA GLN A 69 63.467 -10.210 -14.636 1.00 0.00 C ATOM 1103 C GLN A 69 64.908 -10.737 -14.650 1.00 0.00 C ATOM 1104 O GLN A 69 65.713 -10.405 -13.776 1.00 0.00 O ATOM 1105 CB GLN A 69 63.388 -8.792 -15.233 1.00 0.00 C ATOM 1106 CG GLN A 69 64.533 -8.427 -16.168 1.00 0.00 C ATOM 1107 CD GLN A 69 64.168 -8.593 -17.631 1.00 0.00 C ATOM 1108 OE1 GLN A 69 63.893 -9.698 -18.093 1.00 0.00 O ATOM 1109 NE2 GLN A 69 64.164 -7.497 -18.369 1.00 0.00 N ATOM 0 H GLN A 69 63.133 -9.358 -12.748 1.00 0.00 H new ATOM 0 HA GLN A 69 62.870 -10.884 -15.251 1.00 0.00 H new ATOM 0 HB2 GLN A 69 62.448 -8.694 -15.777 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.360 -8.070 -14.416 1.00 0.00 H new ATOM 0 HG2 GLN A 69 64.830 -7.394 -15.987 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.397 -9.052 -15.940 1.00 0.00 H new ATOM 0 HE21 GLN A 69 64.398 -6.598 -17.948 1.00 0.00 H new ATOM 0 HE22 GLN A 69 63.927 -7.550 -19.360 1.00 0.00 H new ATOM 1118 N ARG A 70 65.219 -11.564 -15.647 1.00 0.00 N ATOM 1119 CA ARG A 70 66.555 -12.141 -15.786 1.00 0.00 C ATOM 1120 C ARG A 70 67.509 -11.158 -16.467 1.00 0.00 C ATOM 1121 O ARG A 70 67.320 -10.795 -17.630 1.00 0.00 O ATOM 1122 CB ARG A 70 66.485 -13.447 -16.586 1.00 0.00 C ATOM 1123 CG ARG A 70 67.752 -14.286 -16.510 1.00 0.00 C ATOM 1124 CD ARG A 70 67.903 -15.188 -17.725 1.00 0.00 C ATOM 1125 NE ARG A 70 69.266 -15.698 -17.861 1.00 0.00 N ATOM 1126 CZ ARG A 70 69.773 -16.154 -18.996 1.00 0.00 C ATOM 1127 NH1 ARG A 70 69.051 -16.170 -20.089 1.00 0.00 N ATOM 1128 NH2 ARG A 70 71.009 -16.588 -19.035 1.00 0.00 N ATOM 0 H ARG A 70 64.562 -11.850 -16.372 1.00 0.00 H new ATOM 0 HA ARG A 70 66.939 -12.353 -14.788 1.00 0.00 H new ATOM 0 HB2 ARG A 70 65.646 -14.040 -16.222 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.279 -13.211 -17.630 1.00 0.00 H new ATOM 0 HG2 ARG A 70 68.619 -13.630 -16.434 1.00 0.00 H new ATOM 0 HG3 ARG A 70 67.732 -14.894 -15.606 1.00 0.00 H new ATOM 0 HD2 ARG A 70 67.209 -16.025 -17.644 1.00 0.00 H new ATOM 0 HD3 ARG A 70 67.631 -14.634 -18.624 1.00 0.00 H new ATOM 0 HE ARG A 70 69.862 -15.703 -17.033 1.00 0.00 H new ATOM 0 HH11 ARG A 70 68.090 -15.829 -20.070 1.00 0.00 H new ATOM 0 HH12 ARG A 70 69.450 -16.523 -20.959 1.00 0.00 H new ATOM 0 HH21 ARG A 70 71.581 -16.575 -18.191 1.00 0.00 H new ATOM 0 HH22 ARG A 70 71.399 -16.939 -19.910 1.00 0.00 H new ATOM 1142 N ILE A 71 68.536 -10.731 -15.740 1.00 0.00 N ATOM 1143 CA ILE A 71 69.510 -9.785 -16.279 1.00 0.00 C ATOM 1144 C ILE A 71 70.848 -10.471 -16.585 1.00 0.00 C ATOM 1145 O ILE A 71 71.438 -11.125 -15.724 1.00 0.00 O ATOM 1146 CB ILE A 71 69.728 -8.597 -15.307 1.00 0.00 C ATOM 1147 CG1 ILE A 71 68.566 -7.603 -15.409 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.043 -7.886 -15.589 1.00 0.00 C ATOM 1149 CD1 ILE A 71 67.693 -7.562 -14.176 1.00 0.00 C ATOM 0 H ILE A 71 68.716 -11.023 -14.779 1.00 0.00 H new ATOM 0 HA ILE A 71 69.104 -9.399 -17.214 1.00 0.00 H new ATOM 0 HB ILE A 71 69.768 -9.000 -14.295 1.00 0.00 H new ATOM 0 HG12 ILE A 71 68.967 -6.606 -15.593 1.00 0.00 H new ATOM 0 HG13 ILE A 71 67.951 -7.863 -16.271 1.00 0.00 H new ATOM 0 HG21 ILE A 71 71.166 -7.058 -14.891 1.00 0.00 H new ATOM 0 HG22 ILE A 71 71.869 -8.587 -15.469 1.00 0.00 H new ATOM 0 HG23 ILE A 71 71.038 -7.502 -16.609 1.00 0.00 H new ATOM 0 HD11 ILE A 71 66.892 -6.837 -14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 71 67.262 -8.548 -14.002 1.00 0.00 H new ATOM 0 HD13 ILE A 71 68.294 -7.272 -13.314 1.00 0.00 H new ATOM 1161 N ALA A 72 71.303 -10.325 -17.828 1.00 0.00 N ATOM 1162 CA ALA A 72 72.570 -10.912 -18.261 1.00 0.00 C ATOM 1163 C ALA A 72 73.726 -9.909 -18.148 1.00 0.00 C ATOM 1164 O ALA A 72 73.516 -8.729 -17.872 1.00 0.00 O ATOM 1165 CB ALA A 72 72.448 -11.421 -19.691 1.00 0.00 C ATOM 0 H ALA A 72 70.812 -9.804 -18.555 1.00 0.00 H new ATOM 0 HA ALA A 72 72.795 -11.749 -17.600 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.397 -11.856 -20.004 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.666 -12.179 -19.742 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.193 -10.592 -20.352 1.00 0.00 H new ATOM 1171 N ASP A 73 74.944 -10.390 -18.391 1.00 0.00 N ATOM 1172 CA ASP A 73 76.148 -9.562 -18.310 1.00 0.00 C ATOM 1173 C ASP A 73 76.205 -8.524 -19.435 1.00 0.00 C ATOM 1174 O ASP A 73 76.818 -7.466 -19.285 1.00 0.00 O ATOM 1175 CB ASP A 73 77.394 -10.451 -18.369 1.00 0.00 C ATOM 1176 CG ASP A 73 77.335 -11.605 -17.389 1.00 0.00 C ATOM 1177 OD1 ASP A 73 76.833 -12.682 -17.772 1.00 0.00 O ATOM 1178 OD2 ASP A 73 77.783 -11.428 -16.234 1.00 0.00 O ATOM 0 H ASP A 73 75.125 -11.360 -18.649 1.00 0.00 H new ATOM 0 HA ASP A 73 76.116 -9.026 -17.362 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.508 -10.843 -19.380 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.277 -9.847 -18.160 1.00 0.00 H new ATOM 1183 N ASN A 74 75.559 -8.830 -20.559 1.00 0.00 N ATOM 1184 CA ASN A 74 75.541 -7.933 -21.717 1.00 0.00 C ATOM 1185 C ASN A 74 74.526 -6.796 -21.552 1.00 0.00 C ATOM 1186 O ASN A 74 74.365 -5.967 -22.449 1.00 0.00 O ATOM 1187 CB ASN A 74 75.227 -8.720 -22.996 1.00 0.00 C ATOM 1188 CG ASN A 74 75.673 -10.170 -22.922 1.00 0.00 C ATOM 1189 OD1 ASN A 74 75.057 -10.990 -22.243 1.00 0.00 O ATOM 1190 ND2 ASN A 74 76.747 -10.497 -23.621 1.00 0.00 N ATOM 0 H ASN A 74 75.038 -9.697 -20.694 1.00 0.00 H new ATOM 0 HA ASN A 74 76.533 -7.488 -21.792 1.00 0.00 H new ATOM 0 HB2 ASN A 74 74.154 -8.684 -23.184 1.00 0.00 H new ATOM 0 HB3 ASN A 74 75.715 -8.238 -23.843 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.091 -11.457 -23.609 1.00 0.00 H new ATOM 0 HD22 ASN A 74 77.232 -9.789 -24.173 1.00 0.00 H new ATOM 1197 N HIS A 75 73.845 -6.755 -20.410 1.00 0.00 N ATOM 1198 CA HIS A 75 72.854 -5.713 -20.146 1.00 0.00 C ATOM 1199 C HIS A 75 73.503 -4.457 -19.567 1.00 0.00 C ATOM 1200 O HIS A 75 74.570 -4.516 -18.955 1.00 0.00 O ATOM 1201 CB HIS A 75 71.781 -6.224 -19.182 1.00 0.00 C ATOM 1202 CG HIS A 75 70.607 -6.854 -19.871 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.028 -8.032 -19.450 1.00 0.00 N ATOM 1204 CD2 HIS A 75 69.898 -6.459 -20.958 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.016 -8.337 -20.242 1.00 0.00 C ATOM 1206 NE2 HIS A 75 68.916 -7.398 -21.165 1.00 0.00 N ATOM 0 H HIS A 75 73.960 -7.429 -19.653 1.00 0.00 H new ATOM 0 HA HIS A 75 72.392 -5.455 -21.099 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.229 -6.952 -18.506 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.430 -5.394 -18.569 1.00 0.00 H new ATOM 0 HD2 HIS A 75 70.073 -5.573 -21.550 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.380 -9.205 -20.150 1.00 0.00 H new ATOM 0 HE2 HIS A 75 68.222 -7.373 -21.912 1.00 0.00 H new ATOM 1214 N THR A 76 72.844 -3.323 -19.771 1.00 0.00 N ATOM 1215 CA THR A 76 73.329 -2.043 -19.267 1.00 0.00 C ATOM 1216 C THR A 76 72.192 -1.252 -18.622 1.00 0.00 C ATOM 1217 O THR A 76 71.069 -1.249 -19.134 1.00 0.00 O ATOM 1218 CB THR A 76 73.949 -1.182 -20.391 1.00 0.00 C ATOM 1219 OG1 THR A 76 73.553 -1.680 -21.675 1.00 0.00 O ATOM 1220 CG2 THR A 76 75.469 -1.174 -20.296 1.00 0.00 C ATOM 0 H THR A 76 71.966 -3.264 -20.286 1.00 0.00 H new ATOM 0 HA THR A 76 74.097 -2.267 -18.527 1.00 0.00 H new ATOM 0 HB THR A 76 73.585 -0.162 -20.270 1.00 0.00 H new ATOM 0 HG1 THR A 76 73.951 -1.125 -22.378 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.880 -0.561 -21.098 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.771 -0.762 -19.333 1.00 0.00 H new ATOM 0 HG23 THR A 76 75.845 -2.193 -20.389 1.00 0.00 H new ATOM 1228 N PRO A 77 72.456 -0.575 -17.488 1.00 0.00 N ATOM 1229 CA PRO A 77 71.440 0.228 -16.785 1.00 0.00 C ATOM 1230 C PRO A 77 70.813 1.298 -17.683 1.00 0.00 C ATOM 1231 O PRO A 77 69.609 1.558 -17.611 1.00 0.00 O ATOM 1232 CB PRO A 77 72.222 0.886 -15.644 1.00 0.00 C ATOM 1233 CG PRO A 77 73.411 0.011 -15.438 1.00 0.00 C ATOM 1234 CD PRO A 77 73.756 -0.546 -16.791 1.00 0.00 C ATOM 0 HA PRO A 77 70.606 -0.388 -16.449 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.520 1.902 -15.904 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.619 0.952 -14.739 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.246 0.578 -15.025 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.189 -0.789 -14.732 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.478 0.082 -17.312 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.195 -1.541 -16.716 1.00 0.00 H new ATOM 1242 N LYS A 78 71.637 1.907 -18.534 1.00 0.00 N ATOM 1243 CA LYS A 78 71.173 2.942 -19.461 1.00 0.00 C ATOM 1244 C LYS A 78 70.294 2.352 -20.573 1.00 0.00 C ATOM 1245 O LYS A 78 69.492 3.059 -21.181 1.00 0.00 O ATOM 1246 CB LYS A 78 72.371 3.684 -20.070 1.00 0.00 C ATOM 1247 CG LYS A 78 73.153 2.865 -21.090 1.00 0.00 C ATOM 1248 CD LYS A 78 73.992 3.754 -21.992 1.00 0.00 C ATOM 1249 CE LYS A 78 74.937 2.938 -22.859 1.00 0.00 C ATOM 1250 NZ LYS A 78 76.178 3.694 -23.192 1.00 0.00 N ATOM 0 H LYS A 78 72.634 1.701 -18.602 1.00 0.00 H new ATOM 0 HA LYS A 78 70.564 3.647 -18.895 1.00 0.00 H new ATOM 0 HB2 LYS A 78 72.015 4.597 -20.548 1.00 0.00 H new ATOM 0 HB3 LYS A 78 73.045 3.986 -19.268 1.00 0.00 H new ATOM 0 HG2 LYS A 78 73.800 2.157 -20.571 1.00 0.00 H new ATOM 0 HG3 LYS A 78 72.461 2.280 -21.696 1.00 0.00 H new ATOM 0 HD2 LYS A 78 73.337 4.350 -22.628 1.00 0.00 H new ATOM 0 HD3 LYS A 78 74.567 4.452 -21.383 1.00 0.00 H new ATOM 0 HE2 LYS A 78 75.201 2.017 -22.340 1.00 0.00 H new ATOM 0 HE3 LYS A 78 74.429 2.651 -23.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 76.451 3.498 -24.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 76.005 4.713 -23.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 76.945 3.399 -22.555 1.00 0.00 H new ATOM 1264 N GLU A 79 70.451 1.054 -20.826 1.00 0.00 N ATOM 1265 CA GLU A 79 69.671 0.371 -21.857 1.00 0.00 C ATOM 1266 C GLU A 79 68.317 -0.074 -21.308 1.00 0.00 C ATOM 1267 O GLU A 79 67.296 0.033 -21.985 1.00 0.00 O ATOM 1268 CB GLU A 79 70.445 -0.839 -22.389 1.00 0.00 C ATOM 1269 CG GLU A 79 70.024 -1.271 -23.785 1.00 0.00 C ATOM 1270 CD GLU A 79 70.122 -2.772 -23.989 1.00 0.00 C ATOM 1271 OE1 GLU A 79 69.861 -3.523 -23.022 1.00 0.00 O ATOM 1272 OE2 GLU A 79 70.456 -3.198 -25.115 1.00 0.00 O ATOM 0 H GLU A 79 71.111 0.454 -20.331 1.00 0.00 H new ATOM 0 HA GLU A 79 69.497 1.071 -22.674 1.00 0.00 H new ATOM 0 HB2 GLU A 79 71.509 -0.603 -22.397 1.00 0.00 H new ATOM 0 HB3 GLU A 79 70.309 -1.675 -21.703 1.00 0.00 H new ATOM 0 HG2 GLU A 79 68.998 -0.950 -23.966 1.00 0.00 H new ATOM 0 HG3 GLU A 79 70.650 -0.767 -24.521 1.00 0.00 H new ATOM 1279 N LEU A 80 68.319 -0.582 -20.075 1.00 0.00 N ATOM 1280 CA LEU A 80 67.085 -1.031 -19.428 1.00 0.00 C ATOM 1281 C LEU A 80 66.203 0.149 -18.988 1.00 0.00 C ATOM 1282 O LEU A 80 65.003 -0.020 -18.769 1.00 0.00 O ATOM 1283 CB LEU A 80 67.412 -1.918 -18.219 1.00 0.00 C ATOM 1284 CG LEU A 80 68.031 -3.280 -18.550 1.00 0.00 C ATOM 1285 CD1 LEU A 80 68.364 -4.040 -17.274 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.094 -4.098 -19.426 1.00 0.00 C ATOM 0 H LEU A 80 69.158 -0.693 -19.506 1.00 0.00 H new ATOM 0 HA LEU A 80 66.524 -1.608 -20.163 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.097 -1.376 -17.567 1.00 0.00 H new ATOM 0 HB3 LEU A 80 66.495 -2.083 -17.652 1.00 0.00 H new ATOM 0 HG LEU A 80 68.955 -3.109 -19.102 1.00 0.00 H new ATOM 0 HD11 LEU A 80 68.803 -5.005 -17.529 1.00 0.00 H new ATOM 0 HD12 LEU A 80 69.075 -3.463 -16.682 1.00 0.00 H new ATOM 0 HD13 LEU A 80 67.453 -4.197 -16.696 1.00 0.00 H new ATOM 0 HD21 LEU A 80 67.553 -5.061 -19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.152 -4.258 -18.901 1.00 0.00 H new ATOM 0 HD23 LEU A 80 66.905 -3.562 -20.356 1.00 0.00 H new ATOM 1298 N GLY A 81 66.797 1.340 -18.858 1.00 0.00 N ATOM 1299 CA GLY A 81 66.042 2.514 -18.449 1.00 0.00 C ATOM 1300 C GLY A 81 65.664 2.491 -16.977 1.00 0.00 C ATOM 1301 O GLY A 81 64.540 2.837 -16.614 1.00 0.00 O ATOM 0 H GLY A 81 67.788 1.509 -19.030 1.00 0.00 H new ATOM 0 HA2 GLY A 81 66.631 3.408 -18.654 1.00 0.00 H new ATOM 0 HA3 GLY A 81 65.136 2.585 -19.051 1.00 0.00 H new ATOM 1305 N MET A 82 66.605 2.092 -16.127 1.00 0.00 N ATOM 1306 CA MET A 82 66.347 2.018 -14.693 1.00 0.00 C ATOM 1307 C MET A 82 67.041 3.147 -13.929 1.00 0.00 C ATOM 1308 O MET A 82 68.269 3.235 -13.898 1.00 0.00 O ATOM 1309 CB MET A 82 66.800 0.661 -14.147 1.00 0.00 C ATOM 1310 CG MET A 82 65.725 -0.412 -14.213 1.00 0.00 C ATOM 1311 SD MET A 82 66.341 -1.982 -14.853 1.00 0.00 S ATOM 1312 CE MET A 82 67.506 -2.445 -13.575 1.00 0.00 C ATOM 0 H MET A 82 67.547 1.817 -16.404 1.00 0.00 H new ATOM 0 HA MET A 82 65.273 2.131 -14.546 1.00 0.00 H new ATOM 0 HB2 MET A 82 67.671 0.325 -14.709 1.00 0.00 H new ATOM 0 HB3 MET A 82 67.117 0.783 -13.111 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.313 -0.568 -13.216 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.908 -0.063 -14.845 1.00 0.00 H new ATOM 0 HE1 MET A 82 68.518 -2.417 -13.978 1.00 0.00 H new ATOM 0 HE2 MET A 82 67.428 -1.747 -12.741 1.00 0.00 H new ATOM 0 HE3 MET A 82 67.282 -3.453 -13.226 1.00 0.00 H new ATOM 1322 N GLU A 83 66.238 4.001 -13.301 1.00 0.00 N ATOM 1323 CA GLU A 83 66.751 5.122 -12.514 1.00 0.00 C ATOM 1324 C GLU A 83 66.190 5.053 -11.093 1.00 0.00 C ATOM 1325 O GLU A 83 64.991 4.831 -10.916 1.00 0.00 O ATOM 1326 CB GLU A 83 66.375 6.454 -13.177 1.00 0.00 C ATOM 1327 CG GLU A 83 66.643 7.676 -12.311 1.00 0.00 C ATOM 1328 CD GLU A 83 66.279 8.976 -13.003 1.00 0.00 C ATOM 1329 OE1 GLU A 83 65.071 9.243 -13.169 1.00 0.00 O ATOM 1330 OE2 GLU A 83 67.204 9.727 -13.380 1.00 0.00 O ATOM 0 H GLU A 83 65.220 3.938 -13.322 1.00 0.00 H new ATOM 0 HA GLU A 83 67.838 5.058 -12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 83 66.931 6.553 -14.109 1.00 0.00 H new ATOM 0 HB3 GLU A 83 65.317 6.432 -13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 83 66.075 7.591 -11.385 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.698 7.698 -12.037 1.00 0.00 H new ATOM 1337 N GLU A 84 67.064 5.232 -10.088 1.00 0.00 N ATOM 1338 CA GLU A 84 66.677 5.169 -8.663 1.00 0.00 C ATOM 1339 C GLU A 84 66.354 3.726 -8.236 1.00 0.00 C ATOM 1340 O GLU A 84 66.889 3.227 -7.248 1.00 0.00 O ATOM 1341 CB GLU A 84 65.490 6.096 -8.362 1.00 0.00 C ATOM 1342 CG GLU A 84 65.890 7.442 -7.775 1.00 0.00 C ATOM 1343 CD GLU A 84 65.121 8.597 -8.389 1.00 0.00 C ATOM 1344 OE1 GLU A 84 64.046 8.944 -7.858 1.00 0.00 O ATOM 1345 OE2 GLU A 84 65.596 9.153 -9.402 1.00 0.00 O ATOM 0 H GLU A 84 68.055 5.424 -10.236 1.00 0.00 H new ATOM 0 HA GLU A 84 67.532 5.514 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 84 64.931 6.264 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 84 64.817 5.594 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 84 65.721 7.429 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 84 66.958 7.599 -7.929 1.00 0.00 H new ATOM 1352 N GLU A 85 65.479 3.066 -8.995 1.00 0.00 N ATOM 1353 CA GLU A 85 65.090 1.678 -8.730 1.00 0.00 C ATOM 1354 C GLU A 85 66.139 0.699 -9.277 1.00 0.00 C ATOM 1355 O GLU A 85 65.932 -0.512 -9.274 1.00 0.00 O ATOM 1356 CB GLU A 85 63.717 1.373 -9.345 1.00 0.00 C ATOM 1357 CG GLU A 85 62.833 0.503 -8.463 1.00 0.00 C ATOM 1358 CD GLU A 85 61.411 0.401 -8.978 1.00 0.00 C ATOM 1359 OE1 GLU A 85 60.600 1.299 -8.663 1.00 0.00 O ATOM 1360 OE2 GLU A 85 61.108 -0.573 -9.699 1.00 0.00 O ATOM 0 H GLU A 85 65.020 3.476 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 85 65.028 1.550 -7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 85 63.202 2.312 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 85 63.860 0.876 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 85 63.264 -0.496 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 85 62.821 0.912 -7.453 1.00 0.00 H new ATOM 1367 N ASP A 86 67.261 1.248 -9.755 1.00 0.00 N ATOM 1368 CA ASP A 86 68.370 0.465 -10.328 1.00 0.00 C ATOM 1369 C ASP A 86 69.065 -0.461 -9.304 1.00 0.00 C ATOM 1370 O ASP A 86 70.167 -0.948 -9.557 1.00 0.00 O ATOM 1371 CB ASP A 86 69.397 1.423 -10.941 1.00 0.00 C ATOM 1372 CG ASP A 86 70.098 0.840 -12.155 1.00 0.00 C ATOM 1373 OD1 ASP A 86 69.640 -0.204 -12.663 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.104 1.431 -12.598 1.00 0.00 O ATOM 0 H ASP A 86 67.430 2.254 -9.757 1.00 0.00 H new ATOM 0 HA ASP A 86 67.941 -0.186 -11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 86 68.898 2.349 -11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 86 70.141 1.681 -10.187 1.00 0.00 H new ATOM 1379 N VAL A 87 68.431 -0.692 -8.158 1.00 0.00 N ATOM 1380 CA VAL A 87 68.994 -1.562 -7.126 1.00 0.00 C ATOM 1381 C VAL A 87 68.714 -3.034 -7.454 1.00 0.00 C ATOM 1382 O VAL A 87 67.571 -3.425 -7.696 1.00 0.00 O ATOM 1383 CB VAL A 87 68.418 -1.224 -5.731 1.00 0.00 C ATOM 1384 CG1 VAL A 87 68.994 0.087 -5.223 1.00 0.00 C ATOM 1385 CG2 VAL A 87 66.896 -1.156 -5.765 1.00 0.00 C ATOM 0 H VAL A 87 67.525 -0.289 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 87 70.071 -1.394 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 87 68.705 -2.023 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 87 68.579 0.310 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 87 70.078 0.003 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 87 68.739 0.889 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 87 66.520 -0.917 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 87 66.582 -0.384 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 87 66.496 -2.119 -6.082 1.00 0.00 H new ATOM 1395 N ILE A 88 69.763 -3.846 -7.471 1.00 0.00 N ATOM 1396 CA ILE A 88 69.622 -5.268 -7.791 1.00 0.00 C ATOM 1397 C ILE A 88 69.595 -6.130 -6.528 1.00 0.00 C ATOM 1398 O ILE A 88 70.162 -5.761 -5.501 1.00 0.00 O ATOM 1399 CB ILE A 88 70.752 -5.772 -8.722 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.635 -4.605 -9.190 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.161 -6.512 -9.916 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.731 -5.002 -10.157 1.00 0.00 C ATOM 0 H ILE A 88 70.718 -3.550 -7.269 1.00 0.00 H new ATOM 0 HA ILE A 88 68.670 -5.365 -8.313 1.00 0.00 H new ATOM 0 HB ILE A 88 71.379 -6.464 -8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 88 71.003 -3.854 -9.664 1.00 0.00 H new ATOM 0 HG13 ILE A 88 72.089 -4.135 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.966 -6.861 -10.563 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.582 -7.366 -9.565 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.512 -5.839 -10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.307 -4.120 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.389 -5.729 -9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.287 -5.443 -11.049 1.00 0.00 H new ATOM 1414 N GLU A 89 68.931 -7.281 -6.614 1.00 0.00 N ATOM 1415 CA GLU A 89 68.830 -8.192 -5.474 1.00 0.00 C ATOM 1416 C GLU A 89 69.567 -9.504 -5.750 1.00 0.00 C ATOM 1417 O GLU A 89 69.483 -10.061 -6.846 1.00 0.00 O ATOM 1418 CB GLU A 89 67.360 -8.477 -5.131 1.00 0.00 C ATOM 1419 CG GLU A 89 67.146 -8.912 -3.689 1.00 0.00 C ATOM 1420 CD GLU A 89 65.800 -8.478 -3.141 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.588 -7.258 -2.976 1.00 0.00 O ATOM 1422 OE2 GLU A 89 64.955 -9.362 -2.873 1.00 0.00 O ATOM 0 H GLU A 89 68.457 -7.605 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 89 69.301 -7.705 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.770 -7.581 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.984 -9.254 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.227 -9.997 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.938 -8.496 -3.067 1.00 0.00 H new ATOM 1429 N VAL A 90 70.296 -9.987 -4.747 1.00 0.00 N ATOM 1430 CA VAL A 90 71.050 -11.233 -4.877 1.00 0.00 C ATOM 1431 C VAL A 90 70.418 -12.360 -4.059 1.00 0.00 C ATOM 1432 O VAL A 90 70.048 -12.168 -2.901 1.00 0.00 O ATOM 1433 CB VAL A 90 72.516 -11.059 -4.423 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.375 -12.202 -4.937 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.072 -9.720 -4.886 1.00 0.00 C ATOM 0 H VAL A 90 70.381 -9.536 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 90 71.027 -11.496 -5.935 1.00 0.00 H new ATOM 0 HB VAL A 90 72.538 -11.076 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.404 -12.061 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.995 -13.146 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.343 -12.220 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.106 -9.621 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 90 73.033 -9.667 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.476 -8.912 -4.462 1.00 0.00 H new ATOM 1445 N TYR A 91 70.303 -13.536 -4.670 1.00 0.00 N ATOM 1446 CA TYR A 91 69.725 -14.701 -3.998 1.00 0.00 C ATOM 1447 C TYR A 91 70.636 -15.920 -4.136 1.00 0.00 C ATOM 1448 O TYR A 91 71.287 -16.108 -5.165 1.00 0.00 O ATOM 1449 CB TYR A 91 68.335 -15.029 -4.560 1.00 0.00 C ATOM 1450 CG TYR A 91 67.220 -14.182 -3.982 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.255 -13.621 -4.807 1.00 0.00 C ATOM 1452 CD2 TYR A 91 67.134 -13.944 -2.615 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.236 -12.845 -4.288 1.00 0.00 C ATOM 1454 CE2 TYR A 91 66.118 -13.169 -2.088 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.171 -12.622 -2.930 1.00 0.00 C ATOM 1456 OH TYR A 91 64.159 -11.848 -2.410 1.00 0.00 O ATOM 0 H TYR A 91 70.602 -13.710 -5.630 1.00 0.00 H new ATOM 0 HA TYR A 91 69.626 -14.452 -2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.352 -14.899 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.116 -16.079 -4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.301 -13.794 -5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.873 -14.372 -1.954 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.494 -12.415 -4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 91 66.065 -12.993 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 91 64.428 -10.906 -2.423 1.00 0.00 H new ATOM 1466 N GLN A 92 70.683 -16.742 -3.091 1.00 0.00 N ATOM 1467 CA GLN A 92 71.516 -17.944 -3.096 1.00 0.00 C ATOM 1468 C GLN A 92 70.889 -19.060 -3.937 1.00 0.00 C ATOM 1469 O GLN A 92 69.981 -19.760 -3.489 1.00 0.00 O ATOM 1470 CB GLN A 92 71.741 -18.438 -1.665 1.00 0.00 C ATOM 1471 CG GLN A 92 73.124 -19.025 -1.430 1.00 0.00 C ATOM 1472 CD GLN A 92 74.192 -17.962 -1.271 1.00 0.00 C ATOM 1473 OE1 GLN A 92 74.265 -17.284 -0.248 1.00 0.00 O ATOM 1474 NE2 GLN A 92 75.027 -17.805 -2.283 1.00 0.00 N ATOM 0 H GLN A 92 70.155 -16.599 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 92 72.474 -17.680 -3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 92 71.586 -17.608 -0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 92 70.991 -19.193 -1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.102 -19.649 -0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 92 73.385 -19.674 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.934 -18.387 -3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 92 75.764 -17.102 -2.232 1.00 0.00 H new ATOM 1483 N GLU A 93 71.390 -19.225 -5.157 1.00 0.00 N ATOM 1484 CA GLU A 93 70.885 -20.255 -6.061 1.00 0.00 C ATOM 1485 C GLU A 93 71.889 -21.401 -6.194 1.00 0.00 C ATOM 1486 O GLU A 93 72.622 -21.494 -7.179 1.00 0.00 O ATOM 1487 CB GLU A 93 70.584 -19.651 -7.437 1.00 0.00 C ATOM 1488 CG GLU A 93 69.506 -20.399 -8.209 1.00 0.00 C ATOM 1489 CD GLU A 93 68.763 -19.510 -9.187 1.00 0.00 C ATOM 1490 OE1 GLU A 93 69.340 -19.174 -10.245 1.00 0.00 O ATOM 1491 OE2 GLU A 93 67.603 -19.148 -8.898 1.00 0.00 O ATOM 0 H GLU A 93 72.145 -18.659 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 93 69.962 -20.656 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.274 -18.614 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.500 -19.639 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 93 69.962 -21.227 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.795 -20.832 -7.505 1.00 0.00 H new