USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 444 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 92 THR OG1 : rot 66:sc= 0.868 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -150:sc= 2.2 (180deg=1.23) USER MOD Set 2.1: A 52 GLN : amide:sc= -1.68! C(o=-1.6!,f=-4.1!) USER MOD Set 2.2: A 71 ASN : amide:sc= 0.0578 K(o=-1.6,f=-5.5!) USER MOD Set 3.1: A 39 THR OG1 : rot -53:sc= 1.01 USER MOD Set 3.2: A 41 ASN : amide:sc= 0.102 X(o=1.1,f=0.79) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 133:sc= 1.78 (180deg=0.328) USER MOD Single : A 50 MET CE :methyl -130:sc= -7.31! (180deg=-12.6!) USER MOD Single : A 51 THR OG1 : rot -125:sc= -3.44! USER MOD Single : A 53 GLN :FLIP amide:sc= -0.138 F(o=-1.2,f=-0.14) USER MOD Single : A 54 GLN : amide:sc= -0.0837 X(o=-0.084,f=-0.39) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 40:sc= 0.0112 USER MOD Single : A 64 MET CE :methyl 173:sc= -3.33! (180deg=-3.64!) USER MOD Single : A 65 SER OG : rot -91:sc= 1.25 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0045 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 173:sc= 0.494 USER MOD Single : A 90 THR OG1 : rot -9:sc= 0.467 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.65! C(o=-1.7!,f=-9!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -48:sc= -0.16 USER MOD Single : A 103 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.4) USER MOD Single : A 106 ASN : amide:sc= 0.0332 K(o=0.033,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -1.262 1.176 -1.641 1.00 0.00 N ATOM 335 CA LEU A 38 -1.712 0.613 -0.374 1.00 0.00 C ATOM 336 C LEU A 38 -1.533 1.624 0.756 1.00 0.00 C ATOM 337 O LEU A 38 -0.879 2.651 0.580 1.00 0.00 O ATOM 338 CB LEU A 38 -0.898 -0.647 -0.071 1.00 0.00 C ATOM 339 CG LEU A 38 -1.413 -1.516 1.071 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.510 -2.426 0.567 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.286 -2.320 1.694 1.00 0.00 C ATOM 0 HA LEU A 38 -2.771 0.364 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.857 -1.255 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.125 -0.348 0.159 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.822 -0.868 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.875 -3.045 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.330 -1.825 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.118 -3.066 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.681 -2.931 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.161 -2.966 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.472 -1.641 2.086 1.00 0.00 H new ATOM 353 N THR A 39 -2.144 1.351 1.897 1.00 0.00 N ATOM 354 CA THR A 39 -1.915 2.139 3.092 1.00 0.00 C ATOM 355 C THR A 39 -1.533 1.251 4.271 1.00 0.00 C ATOM 356 O THR A 39 -1.525 0.024 4.157 1.00 0.00 O ATOM 357 CB THR A 39 -3.152 2.972 3.465 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.234 2.119 3.875 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.584 3.815 2.287 1.00 0.00 C ATOM 0 H THR A 39 -2.806 0.584 2.019 1.00 0.00 H new ATOM 0 HA THR A 39 -1.090 2.816 2.870 1.00 0.00 H new ATOM 0 HB THR A 39 -2.888 3.624 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.392 1.438 3.188 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.461 4.401 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.773 4.486 2.003 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.830 3.166 1.446 1.00 0.00 H new ATOM 367 N ALA A 40 -1.244 1.867 5.407 1.00 0.00 N ATOM 368 CA ALA A 40 -0.873 1.117 6.602 1.00 0.00 C ATOM 369 C ALA A 40 -2.089 0.401 7.173 1.00 0.00 C ATOM 370 O ALA A 40 -1.971 -0.665 7.779 1.00 0.00 O ATOM 371 CB ALA A 40 -0.256 2.030 7.645 1.00 0.00 C ATOM 0 H ALA A 40 -1.258 2.880 5.529 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.128 0.373 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.012 1.447 8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.638 2.499 7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.974 2.801 7.925 1.00 0.00 H new ATOM 377 N ASN A 41 -3.258 1.000 6.964 1.00 0.00 N ATOM 378 CA ASN A 41 -4.527 0.397 7.364 1.00 0.00 C ATOM 379 C ASN A 41 -4.635 -0.998 6.787 1.00 0.00 C ATOM 380 O ASN A 41 -4.993 -1.958 7.472 1.00 0.00 O ATOM 381 CB ASN A 41 -5.703 1.225 6.841 1.00 0.00 C ATOM 382 CG ASN A 41 -5.703 2.642 7.337 1.00 0.00 C ATOM 383 OD1 ASN A 41 -6.197 2.939 8.422 1.00 0.00 O ATOM 384 ND2 ASN A 41 -5.190 3.533 6.522 1.00 0.00 N ATOM 0 H ASN A 41 -3.353 1.911 6.516 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.559 0.362 8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.678 1.230 5.751 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.636 0.745 7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.191 4.520 6.780 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.791 3.239 5.631 1.00 0.00 H new ATOM 391 N ASP A 42 -4.301 -1.093 5.516 1.00 0.00 N ATOM 392 CA ASP A 42 -4.381 -2.346 4.789 1.00 0.00 C ATOM 393 C ASP A 42 -3.313 -3.323 5.252 1.00 0.00 C ATOM 394 O ASP A 42 -3.517 -4.536 5.219 1.00 0.00 O ATOM 395 CB ASP A 42 -4.263 -2.098 3.291 1.00 0.00 C ATOM 396 CG ASP A 42 -5.438 -1.323 2.738 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.499 -1.940 2.503 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.303 -0.092 2.535 1.00 0.00 O ATOM 0 H ASP A 42 -3.967 -0.307 4.958 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.354 -2.793 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.343 -1.550 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.186 -3.054 2.773 1.00 0.00 H new ATOM 403 N VAL A 43 -2.177 -2.802 5.689 1.00 0.00 N ATOM 404 CA VAL A 43 -1.143 -3.648 6.266 1.00 0.00 C ATOM 405 C VAL A 43 -1.653 -4.278 7.557 1.00 0.00 C ATOM 406 O VAL A 43 -1.431 -5.456 7.822 1.00 0.00 O ATOM 407 CB VAL A 43 0.148 -2.865 6.562 1.00 0.00 C ATOM 408 CG1 VAL A 43 1.184 -3.795 7.153 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.685 -2.233 5.306 1.00 0.00 C ATOM 0 H VAL A 43 -1.949 -1.808 5.656 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.908 -4.420 5.533 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.080 -2.074 7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.097 -3.237 7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.802 -4.224 8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.401 -4.595 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.598 -1.684 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.904 -3.009 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.057 -1.547 4.898 1.00 0.00 H new ATOM 419 N SER A 44 -2.345 -3.471 8.348 1.00 0.00 N ATOM 420 CA SER A 44 -3.002 -3.946 9.554 1.00 0.00 C ATOM 421 C SER A 44 -4.056 -5.001 9.205 1.00 0.00 C ATOM 422 O SER A 44 -4.311 -5.922 9.982 1.00 0.00 O ATOM 423 CB SER A 44 -3.635 -2.767 10.295 1.00 0.00 C ATOM 424 OG SER A 44 -4.316 -3.186 11.465 1.00 0.00 O ATOM 0 H SER A 44 -2.466 -2.474 8.172 1.00 0.00 H new ATOM 0 HA SER A 44 -2.263 -4.411 10.206 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.861 -2.048 10.563 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.332 -2.253 9.633 1.00 0.00 H new ATOM 0 HG SER A 44 -4.706 -2.407 11.913 1.00 0.00 H new ATOM 430 N LYS A 45 -4.662 -4.848 8.028 1.00 0.00 N ATOM 431 CA LYS A 45 -5.628 -5.808 7.513 1.00 0.00 C ATOM 432 C LYS A 45 -4.995 -7.176 7.277 1.00 0.00 C ATOM 433 O LYS A 45 -5.588 -8.205 7.613 1.00 0.00 O ATOM 434 CB LYS A 45 -6.248 -5.286 6.226 1.00 0.00 C ATOM 435 CG LYS A 45 -7.281 -4.193 6.458 1.00 0.00 C ATOM 436 CD LYS A 45 -7.764 -3.588 5.152 1.00 0.00 C ATOM 437 CE LYS A 45 -8.201 -4.664 4.193 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.237 -4.170 2.790 1.00 0.00 N ATOM 0 H LYS A 45 -4.495 -4.055 7.408 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.407 -5.931 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.459 -4.900 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.718 -6.114 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.130 -4.605 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.849 -3.411 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.594 -2.909 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.966 -2.997 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.520 -5.512 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.189 -5.025 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.765 -4.857 2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.225 -4.052 2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.746 -3.255 2.731 1.00 0.00 H new ATOM 452 N ILE A 46 -3.801 -7.202 6.696 1.00 0.00 N ATOM 453 CA ILE A 46 -3.136 -8.460 6.447 1.00 0.00 C ATOM 454 C ILE A 46 -2.442 -8.984 7.681 1.00 0.00 C ATOM 455 O ILE A 46 -2.397 -8.333 8.723 1.00 0.00 O ATOM 456 CB ILE A 46 -2.120 -8.416 5.291 1.00 0.00 C ATOM 457 CG1 ILE A 46 -0.988 -7.412 5.527 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.838 -8.133 3.990 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.143 -7.581 4.537 1.00 0.00 C ATOM 0 H ILE A 46 -3.286 -6.375 6.395 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.941 -9.134 6.155 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.644 -9.395 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.383 -6.399 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.603 -7.533 6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.115 -8.103 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.568 -8.920 3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.349 -7.173 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.921 -6.847 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.558 -8.585 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.234 -7.433 3.525 1.00 0.00 H new ATOM 471 N ARG A 47 -1.908 -10.178 7.537 1.00 0.00 N ATOM 472 CA ARG A 47 -1.296 -10.893 8.641 1.00 0.00 C ATOM 473 C ARG A 47 -0.428 -12.018 8.119 1.00 0.00 C ATOM 474 O ARG A 47 -0.753 -12.658 7.118 1.00 0.00 O ATOM 475 CB ARG A 47 -2.368 -11.449 9.597 1.00 0.00 C ATOM 476 CG ARG A 47 -3.412 -12.344 8.928 1.00 0.00 C ATOM 477 CD ARG A 47 -4.537 -11.534 8.291 1.00 0.00 C ATOM 478 NE ARG A 47 -5.506 -12.380 7.591 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.605 -11.914 6.987 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.878 -10.613 6.990 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.426 -12.748 6.367 1.00 0.00 N ATOM 0 H ARG A 47 -1.885 -10.683 6.651 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.672 -10.193 9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.874 -12.016 10.386 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.878 -10.613 10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.930 -12.956 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.831 -13.027 9.667 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.050 -10.960 9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.112 -10.816 7.590 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.333 -13.385 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.247 -9.961 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.718 -10.267 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.221 -13.747 6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.264 -12.391 5.907 1.00 0.00 H new ATOM 495 N VAL A 48 0.681 -12.239 8.798 1.00 0.00 N ATOM 496 CA VAL A 48 1.621 -13.264 8.416 1.00 0.00 C ATOM 497 C VAL A 48 1.018 -14.630 8.686 1.00 0.00 C ATOM 498 O VAL A 48 0.344 -14.826 9.697 1.00 0.00 O ATOM 499 CB VAL A 48 2.934 -13.130 9.193 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.104 -13.597 8.348 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.133 -11.698 9.650 1.00 0.00 C ATOM 0 H VAL A 48 0.952 -11.712 9.628 1.00 0.00 H new ATOM 0 HA VAL A 48 1.836 -13.150 7.353 1.00 0.00 H new ATOM 0 HB VAL A 48 2.882 -13.766 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.028 -13.494 8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.961 -14.642 8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.165 -12.991 7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.070 -11.619 10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.166 -11.040 8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.306 -11.404 10.297 1.00 0.00 H new ATOM 511 N GLY A 49 1.259 -15.560 7.786 1.00 0.00 N ATOM 512 CA GLY A 49 0.663 -16.869 7.908 1.00 0.00 C ATOM 513 C GLY A 49 -0.210 -17.206 6.720 1.00 0.00 C ATOM 514 O GLY A 49 -0.393 -18.378 6.394 1.00 0.00 O ATOM 0 H GLY A 49 1.858 -15.434 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.449 -17.618 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.067 -16.913 8.820 1.00 0.00 H new ATOM 518 N MET A 50 -0.758 -16.186 6.069 1.00 0.00 N ATOM 519 CA MET A 50 -1.570 -16.421 4.885 1.00 0.00 C ATOM 520 C MET A 50 -0.724 -16.390 3.621 1.00 0.00 C ATOM 521 O MET A 50 0.472 -16.092 3.661 1.00 0.00 O ATOM 522 CB MET A 50 -2.757 -15.455 4.777 1.00 0.00 C ATOM 523 CG MET A 50 -2.425 -13.976 4.794 1.00 0.00 C ATOM 524 SD MET A 50 -3.919 -12.968 4.632 1.00 0.00 S ATOM 525 CE MET A 50 -3.235 -11.324 4.533 1.00 0.00 C ATOM 0 H MET A 50 -0.657 -15.207 6.336 1.00 0.00 H new ATOM 0 HA MET A 50 -1.990 -17.421 4.993 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.293 -15.674 3.854 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.441 -15.661 5.600 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.914 -13.726 5.724 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.738 -13.746 3.980 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.746 -10.674 5.243 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.172 -11.357 4.771 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.369 -10.934 3.524 1.00 0.00 H new ATOM 535 N THR A 51 -1.354 -16.708 2.503 1.00 0.00 N ATOM 536 CA THR A 51 -0.647 -16.910 1.253 1.00 0.00 C ATOM 537 C THR A 51 -0.580 -15.642 0.432 1.00 0.00 C ATOM 538 O THR A 51 -1.013 -14.574 0.873 1.00 0.00 O ATOM 539 CB THR A 51 -1.344 -17.970 0.399 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.609 -17.476 -0.047 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.568 -19.217 1.197 1.00 0.00 C ATOM 0 H THR A 51 -2.364 -16.833 2.437 1.00 0.00 H new ATOM 0 HA THR A 51 0.360 -17.229 1.521 1.00 0.00 H new ATOM 0 HB THR A 51 -0.708 -18.196 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.316 -18.103 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.065 -19.962 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.609 -19.609 1.537 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.193 -18.989 2.060 1.00 0.00 H new ATOM 549 N GLN A 52 -0.063 -15.774 -0.780 1.00 0.00 N ATOM 550 CA GLN A 52 -0.079 -14.689 -1.729 1.00 0.00 C ATOM 551 C GLN A 52 -1.508 -14.353 -2.131 1.00 0.00 C ATOM 552 O GLN A 52 -1.887 -13.191 -2.167 1.00 0.00 O ATOM 553 CB GLN A 52 0.723 -15.050 -2.969 1.00 0.00 C ATOM 554 CG GLN A 52 2.183 -15.357 -2.683 1.00 0.00 C ATOM 555 CD GLN A 52 3.005 -15.506 -3.946 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.501 -15.936 -4.981 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.279 -15.157 -3.872 1.00 0.00 N ATOM 0 H GLN A 52 0.373 -16.629 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 52 0.373 -13.819 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.266 -15.916 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.667 -14.226 -3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.605 -14.560 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.250 -16.276 -2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.661 -14.804 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.879 -15.241 -4.692 1.00 0.00 H new ATOM 566 N GLN A 53 -2.315 -15.379 -2.401 1.00 0.00 N ATOM 567 CA GLN A 53 -3.676 -15.152 -2.889 1.00 0.00 C ATOM 568 C GLN A 53 -4.502 -14.457 -1.828 1.00 0.00 C ATOM 569 O GLN A 53 -5.382 -13.655 -2.128 1.00 0.00 O ATOM 570 CB GLN A 53 -4.350 -16.459 -3.314 1.00 0.00 C ATOM 571 CG GLN A 53 -4.499 -17.492 -2.215 1.00 0.00 C ATOM 572 CD GLN A 53 -5.944 -17.790 -1.851 1.00 0.00 C ATOM 573 OE1 GLN A 53 -6.814 -16.794 -1.946 1.00 0.00 O flip ATOM 574 NE2 GLN A 53 -6.268 -18.912 -1.466 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.057 -16.360 -2.293 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.611 -14.512 -3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.339 -16.228 -3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.775 -16.898 -4.129 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.014 -18.416 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.974 -17.143 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.569 -19.652 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.236 -19.102 -1.206 1.00 0.00 H new ATOM 583 N GLN A 54 -4.206 -14.785 -0.590 1.00 0.00 N ATOM 584 CA GLN A 54 -4.839 -14.134 0.544 1.00 0.00 C ATOM 585 C GLN A 54 -4.506 -12.647 0.551 1.00 0.00 C ATOM 586 O GLN A 54 -5.394 -11.797 0.592 1.00 0.00 O ATOM 587 CB GLN A 54 -4.362 -14.753 1.853 1.00 0.00 C ATOM 588 CG GLN A 54 -4.542 -16.257 1.957 1.00 0.00 C ATOM 589 CD GLN A 54 -5.642 -16.658 2.916 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.650 -15.965 3.060 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.425 -17.755 3.617 1.00 0.00 N ATOM 0 H GLN A 54 -3.527 -15.503 -0.338 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.917 -14.270 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.305 -14.519 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.897 -14.281 2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.765 -16.659 0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.604 -16.708 2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.575 -18.298 3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.107 -18.060 4.312 1.00 0.00 H new ATOM 600 N VAL A 55 -3.216 -12.343 0.489 1.00 0.00 N ATOM 601 CA VAL A 55 -2.756 -10.974 0.565 1.00 0.00 C ATOM 602 C VAL A 55 -3.123 -10.188 -0.684 1.00 0.00 C ATOM 603 O VAL A 55 -3.523 -9.039 -0.591 1.00 0.00 O ATOM 604 CB VAL A 55 -1.243 -10.916 0.781 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.755 -9.487 0.700 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.886 -11.516 2.121 1.00 0.00 C ATOM 0 H VAL A 55 -2.472 -13.033 0.386 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.257 -10.517 1.419 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.755 -11.494 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.324 -9.461 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.990 -9.078 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.247 -8.890 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.194 -11.470 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.382 -10.956 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.212 -12.556 2.153 1.00 0.00 H new ATOM 616 N ALA A 56 -3.003 -10.813 -1.844 1.00 0.00 N ATOM 617 CA ALA A 56 -3.342 -10.152 -3.098 1.00 0.00 C ATOM 618 C ALA A 56 -4.780 -9.678 -3.063 1.00 0.00 C ATOM 619 O ALA A 56 -5.131 -8.657 -3.644 1.00 0.00 O ATOM 620 CB ALA A 56 -3.134 -11.089 -4.277 1.00 0.00 C ATOM 0 H ALA A 56 -2.675 -11.773 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.683 -9.292 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.394 -10.573 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.090 -11.399 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.769 -11.967 -4.161 1.00 0.00 H new ATOM 626 N TYR A 57 -5.612 -10.436 -2.385 1.00 0.00 N ATOM 627 CA TYR A 57 -7.008 -10.098 -2.283 1.00 0.00 C ATOM 628 C TYR A 57 -7.259 -9.047 -1.200 1.00 0.00 C ATOM 629 O TYR A 57 -8.116 -8.177 -1.356 1.00 0.00 O ATOM 630 CB TYR A 57 -7.807 -11.362 -2.047 1.00 0.00 C ATOM 631 CG TYR A 57 -8.105 -12.092 -3.338 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.188 -12.095 -4.398 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.307 -12.757 -3.514 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.472 -12.744 -5.575 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.595 -13.410 -4.698 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.675 -13.399 -5.726 1.00 0.00 C ATOM 637 OH TYR A 57 -8.957 -14.050 -6.907 1.00 0.00 O ATOM 0 H TYR A 57 -5.343 -11.290 -1.897 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.336 -9.646 -3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.254 -12.021 -1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.743 -11.112 -1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.245 -11.580 -4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.031 -12.766 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.753 -12.741 -6.381 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.536 -13.926 -4.818 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.845 -14.461 -6.850 1.00 0.00 H new ATOM 647 N ALA A 58 -6.508 -9.138 -0.105 1.00 0.00 N ATOM 648 CA ALA A 58 -6.624 -8.197 1.008 1.00 0.00 C ATOM 649 C ALA A 58 -5.985 -6.849 0.685 1.00 0.00 C ATOM 650 O ALA A 58 -6.541 -5.791 0.988 1.00 0.00 O ATOM 651 CB ALA A 58 -5.968 -8.785 2.250 1.00 0.00 C ATOM 0 H ALA A 58 -5.804 -9.863 0.036 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.686 -8.029 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.057 -8.080 3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.463 -9.719 2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.914 -8.977 2.049 1.00 0.00 H new ATOM 657 N LEU A 59 -4.814 -6.907 0.078 1.00 0.00 N ATOM 658 CA LEU A 59 -3.993 -5.734 -0.164 1.00 0.00 C ATOM 659 C LEU A 59 -4.221 -5.152 -1.554 1.00 0.00 C ATOM 660 O LEU A 59 -3.835 -4.016 -1.836 1.00 0.00 O ATOM 661 CB LEU A 59 -2.522 -6.123 0.006 1.00 0.00 C ATOM 662 CG LEU A 59 -1.786 -5.403 1.118 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.698 -5.243 2.308 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.553 -6.180 1.503 1.00 0.00 C ATOM 0 H LEU A 59 -4.402 -7.776 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.272 -4.963 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.466 -7.196 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.002 -5.934 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.482 -4.416 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.167 -4.725 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.574 -4.663 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.013 -6.225 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.028 -5.657 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.842 -7.173 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.104 -6.272 0.638 1.00 0.00 H new ATOM 676 N GLY A 60 -4.855 -5.928 -2.413 1.00 0.00 N ATOM 677 CA GLY A 60 -5.032 -5.515 -3.787 1.00 0.00 C ATOM 678 C GLY A 60 -3.902 -6.020 -4.655 1.00 0.00 C ATOM 679 O GLY A 60 -2.730 -5.786 -4.354 1.00 0.00 O ATOM 0 H GLY A 60 -5.252 -6.839 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.982 -5.893 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.078 -4.427 -3.840 1.00 0.00 H new ATOM 683 N THR A 61 -4.247 -6.747 -5.704 1.00 0.00 N ATOM 684 CA THR A 61 -3.269 -7.313 -6.584 1.00 0.00 C ATOM 685 C THR A 61 -2.406 -6.239 -7.230 1.00 0.00 C ATOM 686 O THR A 61 -2.886 -5.328 -7.909 1.00 0.00 O ATOM 687 CB THR A 61 -3.913 -8.196 -7.651 1.00 0.00 C ATOM 688 OG1 THR A 61 -5.028 -7.525 -8.260 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.359 -9.508 -7.054 1.00 0.00 C ATOM 0 H THR A 61 -5.213 -6.954 -5.959 1.00 0.00 H new ATOM 0 HA THR A 61 -2.623 -7.942 -5.972 1.00 0.00 H new ATOM 0 HB THR A 61 -3.167 -8.397 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.808 -6.579 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.815 -10.124 -7.829 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.498 -10.029 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.087 -9.320 -6.265 1.00 0.00 H new ATOM 697 N PRO A 62 -1.111 -6.374 -6.976 1.00 0.00 N ATOM 698 CA PRO A 62 -0.057 -5.447 -7.409 1.00 0.00 C ATOM 699 C PRO A 62 -0.072 -5.146 -8.908 1.00 0.00 C ATOM 700 O PRO A 62 -0.580 -5.920 -9.722 1.00 0.00 O ATOM 701 CB PRO A 62 1.224 -6.186 -7.019 1.00 0.00 C ATOM 702 CG PRO A 62 0.817 -7.049 -5.876 1.00 0.00 C ATOM 703 CD PRO A 62 -0.582 -7.488 -6.196 1.00 0.00 C ATOM 0 HA PRO A 62 -0.175 -4.466 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.609 -6.779 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.013 -5.491 -6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.484 -7.904 -5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.852 -6.500 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.592 -8.418 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.167 -7.660 -5.292 1.00 0.00 H new ATOM 711 N LEU A 63 0.552 -4.026 -9.248 1.00 0.00 N ATOM 712 CA LEU A 63 0.514 -3.452 -10.586 1.00 0.00 C ATOM 713 C LEU A 63 1.402 -4.248 -11.514 1.00 0.00 C ATOM 714 O LEU A 63 1.260 -4.194 -12.734 1.00 0.00 O ATOM 715 CB LEU A 63 1.019 -2.017 -10.525 1.00 0.00 C ATOM 716 CG LEU A 63 0.556 -1.232 -9.306 1.00 0.00 C ATOM 717 CD1 LEU A 63 1.680 -0.340 -8.823 1.00 0.00 C ATOM 718 CD2 LEU A 63 -0.683 -0.419 -9.636 1.00 0.00 C ATOM 0 H LEU A 63 1.109 -3.481 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.510 -3.475 -10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.109 -2.029 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.693 -1.493 -11.423 1.00 0.00 H new ATOM 0 HG LEU A 63 0.293 -1.927 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.349 0.222 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.541 -0.952 -8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.961 0.353 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.000 0.136 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.456 0.280 -10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.484 -1.088 -9.951 1.00 0.00 H new ATOM 730 N MET A 64 2.336 -4.972 -10.910 1.00 0.00 N ATOM 731 CA MET A 64 3.223 -5.877 -11.640 1.00 0.00 C ATOM 732 C MET A 64 2.473 -7.105 -12.164 1.00 0.00 C ATOM 733 O MET A 64 3.070 -8.163 -12.378 1.00 0.00 O ATOM 734 CB MET A 64 4.402 -6.295 -10.758 1.00 0.00 C ATOM 735 CG MET A 64 3.999 -6.824 -9.393 1.00 0.00 C ATOM 736 SD MET A 64 5.404 -6.988 -8.283 1.00 0.00 S ATOM 737 CE MET A 64 4.586 -7.766 -6.907 1.00 0.00 C ATOM 0 H MET A 64 2.502 -4.951 -9.904 1.00 0.00 H new ATOM 0 HA MET A 64 3.608 -5.338 -12.506 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.977 -7.062 -11.278 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.062 -5.438 -10.623 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.264 -6.153 -8.948 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.516 -7.794 -9.510 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.326 -8.060 -6.163 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.881 -7.066 -6.460 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.050 -8.649 -7.254 1.00 0.00 H new ATOM 747 N SER A 65 1.159 -6.953 -12.327 1.00 0.00 N ATOM 748 CA SER A 65 0.328 -7.883 -13.092 1.00 0.00 C ATOM 749 C SER A 65 0.006 -9.173 -12.352 1.00 0.00 C ATOM 750 O SER A 65 -1.159 -9.516 -12.155 1.00 0.00 O ATOM 751 CB SER A 65 0.991 -8.180 -14.439 1.00 0.00 C ATOM 752 OG SER A 65 0.238 -9.104 -15.201 1.00 0.00 O ATOM 0 H SER A 65 0.636 -6.173 -11.928 1.00 0.00 H new ATOM 0 HA SER A 65 -0.631 -7.390 -13.249 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.105 -7.253 -15.001 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.992 -8.577 -14.272 1.00 0.00 H new ATOM 0 HG SER A 65 0.543 -10.015 -15.006 1.00 0.00 H new ATOM 758 N ASP A 66 1.031 -9.866 -11.940 1.00 0.00 N ATOM 759 CA ASP A 66 0.888 -11.204 -11.390 1.00 0.00 C ATOM 760 C ASP A 66 1.546 -11.295 -10.025 1.00 0.00 C ATOM 761 O ASP A 66 2.765 -11.418 -9.922 1.00 0.00 O ATOM 762 CB ASP A 66 1.508 -12.244 -12.331 1.00 0.00 C ATOM 763 CG ASP A 66 0.790 -12.347 -13.665 1.00 0.00 C ATOM 764 OD1 ASP A 66 1.140 -11.594 -14.600 1.00 0.00 O ATOM 765 OD2 ASP A 66 -0.123 -13.193 -13.791 1.00 0.00 O ATOM 0 H ASP A 66 1.993 -9.528 -11.972 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.177 -11.411 -11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.553 -11.988 -12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.496 -13.219 -11.843 1.00 0.00 H new ATOM 770 N PRO A 67 0.745 -11.212 -8.956 1.00 0.00 N ATOM 771 CA PRO A 67 1.242 -11.364 -7.593 1.00 0.00 C ATOM 772 C PRO A 67 1.914 -12.724 -7.385 1.00 0.00 C ATOM 773 O PRO A 67 2.908 -12.834 -6.666 1.00 0.00 O ATOM 774 CB PRO A 67 -0.015 -11.229 -6.717 1.00 0.00 C ATOM 775 CG PRO A 67 -1.178 -11.393 -7.637 1.00 0.00 C ATOM 776 CD PRO A 67 -0.702 -10.945 -8.993 1.00 0.00 C ATOM 0 HA PRO A 67 2.005 -10.625 -7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.028 -11.987 -5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.043 -10.258 -6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.511 -12.431 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.026 -10.795 -7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.192 -11.499 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.911 -9.889 -9.163 1.00 0.00 H new ATOM 784 N PHE A 68 1.386 -13.749 -8.056 1.00 0.00 N ATOM 785 CA PHE A 68 1.929 -15.097 -7.978 1.00 0.00 C ATOM 786 C PHE A 68 3.169 -15.261 -8.855 1.00 0.00 C ATOM 787 O PHE A 68 3.732 -16.352 -8.946 1.00 0.00 O ATOM 788 CB PHE A 68 0.865 -16.105 -8.413 1.00 0.00 C ATOM 789 CG PHE A 68 -0.047 -16.554 -7.314 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.898 -15.660 -6.687 1.00 0.00 C ATOM 791 CD2 PHE A 68 -0.058 -17.879 -6.911 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.740 -16.079 -5.679 1.00 0.00 C ATOM 793 CE2 PHE A 68 -0.898 -18.304 -5.904 1.00 0.00 C ATOM 794 CZ PHE A 68 -1.741 -17.405 -5.288 1.00 0.00 C ATOM 0 H PHE A 68 0.573 -13.664 -8.666 1.00 0.00 H new ATOM 0 HA PHE A 68 2.221 -15.278 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.265 -15.662 -9.208 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.361 -16.978 -8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.902 -14.624 -6.991 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.600 -18.588 -7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.398 -15.372 -5.195 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.895 -19.340 -5.598 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.402 -17.736 -4.501 1.00 0.00 H new ATOM 804 N GLY A 69 3.593 -14.182 -9.499 1.00 0.00 N ATOM 805 CA GLY A 69 4.738 -14.256 -10.386 1.00 0.00 C ATOM 806 C GLY A 69 6.018 -13.861 -9.687 1.00 0.00 C ATOM 807 O GLY A 69 7.114 -14.129 -10.174 1.00 0.00 O ATOM 0 H GLY A 69 3.166 -13.259 -9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.833 -15.271 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.576 -13.603 -11.243 1.00 0.00 H new ATOM 811 N THR A 70 5.871 -13.224 -8.539 1.00 0.00 N ATOM 812 CA THR A 70 7.007 -12.760 -7.769 1.00 0.00 C ATOM 813 C THR A 70 6.934 -13.322 -6.351 1.00 0.00 C ATOM 814 O THR A 70 5.966 -13.998 -5.997 1.00 0.00 O ATOM 815 CB THR A 70 7.041 -11.220 -7.712 1.00 0.00 C ATOM 816 OG1 THR A 70 8.327 -10.759 -7.279 1.00 0.00 O ATOM 817 CG2 THR A 70 5.982 -10.704 -6.767 1.00 0.00 C ATOM 0 H THR A 70 4.966 -13.016 -8.118 1.00 0.00 H new ATOM 0 HA THR A 70 7.917 -13.109 -8.257 1.00 0.00 H new ATOM 0 HB THR A 70 6.845 -10.842 -8.715 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.331 -9.779 -7.250 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.019 -9.615 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.999 -11.024 -7.112 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.162 -11.100 -5.767 1.00 0.00 H new ATOM 825 N ASN A 71 7.957 -13.058 -5.553 1.00 0.00 N ATOM 826 CA ASN A 71 7.964 -13.486 -4.160 1.00 0.00 C ATOM 827 C ASN A 71 8.262 -12.295 -3.250 1.00 0.00 C ATOM 828 O ASN A 71 8.456 -12.445 -2.042 1.00 0.00 O ATOM 829 CB ASN A 71 8.998 -14.594 -3.955 1.00 0.00 C ATOM 830 CG ASN A 71 8.479 -15.712 -3.074 1.00 0.00 C ATOM 831 OD1 ASN A 71 7.273 -15.950 -2.996 1.00 0.00 O ATOM 832 ND2 ASN A 71 9.383 -16.432 -2.433 1.00 0.00 N ATOM 0 H ASN A 71 8.792 -12.550 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 71 6.981 -13.881 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.286 -15.002 -4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.897 -14.170 -3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.090 -17.215 -1.849 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.373 -16.204 -2.522 1.00 0.00 H new ATOM 839 N THR A 72 8.291 -11.111 -3.854 1.00 0.00 N ATOM 840 CA THR A 72 8.545 -9.869 -3.146 1.00 0.00 C ATOM 841 C THR A 72 7.545 -8.808 -3.595 1.00 0.00 C ATOM 842 O THR A 72 7.563 -8.381 -4.751 1.00 0.00 O ATOM 843 CB THR A 72 9.963 -9.367 -3.441 1.00 0.00 C ATOM 844 OG1 THR A 72 10.909 -10.440 -3.304 1.00 0.00 O ATOM 845 CG2 THR A 72 10.331 -8.245 -2.498 1.00 0.00 C ATOM 0 H THR A 72 8.137 -10.990 -4.855 1.00 0.00 H new ATOM 0 HA THR A 72 8.441 -10.053 -2.077 1.00 0.00 H new ATOM 0 HB THR A 72 9.989 -8.994 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.811 -10.108 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.341 -7.899 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.629 -7.420 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.289 -8.605 -1.470 1.00 0.00 H new ATOM 853 N TRP A 73 6.667 -8.396 -2.697 1.00 0.00 N ATOM 854 CA TRP A 73 5.615 -7.449 -3.049 1.00 0.00 C ATOM 855 C TRP A 73 5.935 -6.058 -2.527 1.00 0.00 C ATOM 856 O TRP A 73 6.465 -5.911 -1.424 1.00 0.00 O ATOM 857 CB TRP A 73 4.263 -7.920 -2.510 1.00 0.00 C ATOM 858 CG TRP A 73 3.781 -9.185 -3.150 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.481 -9.994 -3.996 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.496 -9.787 -3.000 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.710 -11.057 -4.383 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.490 -10.955 -3.783 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.349 -9.457 -2.283 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.390 -11.791 -3.865 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.253 -10.289 -2.367 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.282 -11.444 -3.154 1.00 0.00 C ATOM 0 H TRP A 73 6.658 -8.698 -1.723 1.00 0.00 H new ATOM 0 HA TRP A 73 5.559 -7.400 -4.136 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.341 -8.072 -1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.523 -7.136 -2.668 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.498 -9.821 -4.315 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.000 -11.802 -5.016 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.319 -8.566 -1.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.410 -12.685 -4.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.643 -10.044 -1.816 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.594 -12.075 -3.199 1.00 0.00 H new ATOM 877 N PHE A 74 5.616 -5.043 -3.327 1.00 0.00 N ATOM 878 CA PHE A 74 5.925 -3.663 -2.976 1.00 0.00 C ATOM 879 C PHE A 74 4.650 -2.846 -2.804 1.00 0.00 C ATOM 880 O PHE A 74 3.890 -2.636 -3.751 1.00 0.00 O ATOM 881 CB PHE A 74 6.814 -3.015 -4.044 1.00 0.00 C ATOM 882 CG PHE A 74 7.971 -3.878 -4.473 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.006 -4.161 -3.598 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.010 -4.418 -5.751 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.061 -4.966 -3.990 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.059 -5.223 -6.146 1.00 0.00 C ATOM 887 CZ PHE A 74 10.086 -5.498 -5.265 1.00 0.00 C ATOM 0 H PHE A 74 5.143 -5.153 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 74 6.464 -3.676 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.205 -2.779 -4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.199 -2.071 -3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.990 -3.749 -2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.210 -4.206 -6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.864 -5.178 -3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.077 -5.637 -7.143 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.908 -6.128 -5.572 1.00 0.00 H new ATOM 897 N TYR A 75 4.429 -2.406 -1.582 1.00 0.00 N ATOM 898 CA TYR A 75 3.293 -1.570 -1.229 1.00 0.00 C ATOM 899 C TYR A 75 3.806 -0.354 -0.457 1.00 0.00 C ATOM 900 O TYR A 75 5.004 -0.253 -0.210 1.00 0.00 O ATOM 901 CB TYR A 75 2.301 -2.361 -0.376 1.00 0.00 C ATOM 902 CG TYR A 75 1.624 -3.514 -1.072 1.00 0.00 C ATOM 903 CD1 TYR A 75 0.555 -3.315 -1.934 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.040 -4.810 -0.830 1.00 0.00 C ATOM 905 CE1 TYR A 75 -0.082 -4.383 -2.537 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.418 -5.889 -1.433 1.00 0.00 C ATOM 907 CZ TYR A 75 0.353 -5.668 -2.285 1.00 0.00 C ATOM 908 OH TYR A 75 -0.284 -6.732 -2.880 1.00 0.00 O ATOM 0 H TYR A 75 5.040 -2.620 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 75 2.778 -1.243 -2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.826 -2.745 0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.534 -1.677 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.216 -2.310 -2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.867 -4.984 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.916 -4.213 -3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.762 -6.894 -1.239 1.00 0.00 H new ATOM 0 HH TYR A 75 0.215 -7.556 -2.697 1.00 0.00 H new ATOM 918 N VAL A 76 2.932 0.578 -0.097 1.00 0.00 N ATOM 919 CA VAL A 76 3.366 1.758 0.647 1.00 0.00 C ATOM 920 C VAL A 76 2.285 2.137 1.663 1.00 0.00 C ATOM 921 O VAL A 76 1.291 1.424 1.790 1.00 0.00 O ATOM 922 CB VAL A 76 3.695 2.939 -0.310 1.00 0.00 C ATOM 923 CG1 VAL A 76 2.460 3.743 -0.678 1.00 0.00 C ATOM 924 CG2 VAL A 76 4.784 3.839 0.263 1.00 0.00 C ATOM 0 H VAL A 76 1.934 0.544 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 76 4.286 1.526 1.183 1.00 0.00 H new ATOM 0 HB VAL A 76 4.076 2.496 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.741 4.556 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.739 3.095 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.012 4.156 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.987 4.653 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.452 4.251 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.693 3.258 0.417 1.00 0.00 H new ATOM 934 N PHE A 77 2.488 3.219 2.405 1.00 0.00 N ATOM 935 CA PHE A 77 1.520 3.643 3.414 1.00 0.00 C ATOM 936 C PHE A 77 0.653 4.811 2.929 1.00 0.00 C ATOM 937 O PHE A 77 0.812 5.300 1.812 1.00 0.00 O ATOM 938 CB PHE A 77 2.227 4.034 4.716 1.00 0.00 C ATOM 939 CG PHE A 77 2.782 2.879 5.505 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.524 1.567 5.140 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.557 3.114 6.629 1.00 0.00 C ATOM 942 CE1 PHE A 77 3.031 0.517 5.878 1.00 0.00 C ATOM 943 CE2 PHE A 77 4.066 2.067 7.373 1.00 0.00 C ATOM 944 CZ PHE A 77 3.802 0.766 6.995 1.00 0.00 C ATOM 0 H PHE A 77 3.310 3.818 2.329 1.00 0.00 H new ATOM 0 HA PHE A 77 0.865 2.791 3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.042 4.718 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.524 4.581 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.919 1.364 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.766 4.130 6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.824 -0.501 5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.668 2.266 8.247 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.198 -0.056 7.573 1.00 0.00 H new ATOM 1137 N THR A 90 7.587 1.879 2.604 1.00 0.00 N ATOM 1138 CA THR A 90 7.152 0.831 1.723 1.00 0.00 C ATOM 1139 C THR A 90 6.987 -0.485 2.448 1.00 0.00 C ATOM 1140 O THR A 90 7.821 -0.876 3.267 1.00 0.00 O ATOM 1141 CB THR A 90 8.149 0.652 0.575 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.498 0.753 1.067 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.905 1.686 -0.500 1.00 0.00 C ATOM 0 HA THR A 90 6.180 1.128 1.328 1.00 0.00 H new ATOM 0 HB THR A 90 8.007 -0.338 0.143 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.485 1.062 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.622 1.546 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.893 1.575 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.024 2.684 -0.079 1.00 0.00 H new ATOM 1151 N LEU A 91 5.910 -1.161 2.130 1.00 0.00 N ATOM 1152 CA LEU A 91 5.667 -2.482 2.647 1.00 0.00 C ATOM 1153 C LEU A 91 6.235 -3.501 1.677 1.00 0.00 C ATOM 1154 O LEU A 91 5.828 -3.564 0.519 1.00 0.00 O ATOM 1155 CB LEU A 91 4.174 -2.733 2.845 1.00 0.00 C ATOM 1156 CG LEU A 91 3.839 -4.112 3.407 1.00 0.00 C ATOM 1157 CD1 LEU A 91 4.293 -4.209 4.841 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.361 -4.431 3.310 1.00 0.00 C ATOM 0 H LEU A 91 5.181 -0.811 1.508 1.00 0.00 H new ATOM 0 HA LEU A 91 6.153 -2.573 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.775 -1.973 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.667 -2.610 1.888 1.00 0.00 H new ATOM 0 HG LEU A 91 4.370 -4.846 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.050 -5.196 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.371 -4.053 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.787 -3.448 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.175 -5.422 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.791 -3.691 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.052 -4.409 2.265 1.00 0.00 H new ATOM 1170 N THR A 92 7.181 -4.279 2.147 1.00 0.00 N ATOM 1171 CA THR A 92 7.803 -5.293 1.333 1.00 0.00 C ATOM 1172 C THR A 92 7.383 -6.651 1.840 1.00 0.00 C ATOM 1173 O THR A 92 7.866 -7.123 2.870 1.00 0.00 O ATOM 1174 CB THR A 92 9.333 -5.186 1.366 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.737 -3.863 0.979 1.00 0.00 O ATOM 1176 CG2 THR A 92 9.958 -6.217 0.438 1.00 0.00 C ATOM 0 H THR A 92 7.539 -4.227 3.101 1.00 0.00 H new ATOM 0 HA THR A 92 7.481 -5.151 0.301 1.00 0.00 H new ATOM 0 HB THR A 92 9.677 -5.382 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.433 -3.218 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.044 -6.127 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.666 -7.218 0.756 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.613 -6.045 -0.582 1.00 0.00 H new ATOM 1184 N LEU A 93 6.469 -7.268 1.139 1.00 0.00 N ATOM 1185 CA LEU A 93 5.923 -8.510 1.612 1.00 0.00 C ATOM 1186 C LEU A 93 6.833 -9.656 1.229 1.00 0.00 C ATOM 1187 O LEU A 93 7.083 -9.900 0.047 1.00 0.00 O ATOM 1188 CB LEU A 93 4.514 -8.730 1.085 1.00 0.00 C ATOM 1189 CG LEU A 93 3.637 -9.463 2.056 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.378 -8.578 3.250 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.345 -9.878 1.419 1.00 0.00 C ATOM 0 H LEU A 93 6.092 -6.936 0.251 1.00 0.00 H new ATOM 0 HA LEU A 93 5.859 -8.466 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.063 -7.765 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.564 -9.292 0.152 1.00 0.00 H new ATOM 0 HG LEU A 93 4.148 -10.371 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.741 -9.104 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.325 -8.326 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.881 -7.664 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.733 -10.407 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.811 -8.994 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.551 -10.535 0.574 1.00 0.00 H new ATOM 1203 N THR A 94 7.346 -10.338 2.240 1.00 0.00 N ATOM 1204 CA THR A 94 8.287 -11.385 2.048 1.00 0.00 C ATOM 1205 C THR A 94 7.605 -12.743 2.157 1.00 0.00 C ATOM 1206 O THR A 94 6.993 -13.069 3.183 1.00 0.00 O ATOM 1207 CB THR A 94 9.397 -11.262 3.092 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.106 -10.029 2.907 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.328 -12.435 2.983 1.00 0.00 C ATOM 0 H THR A 94 7.108 -10.165 3.217 1.00 0.00 H new ATOM 0 HA THR A 94 8.718 -11.302 1.050 1.00 0.00 H new ATOM 0 HB THR A 94 8.959 -11.260 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.815 -9.955 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.118 -12.343 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.773 -13.357 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.770 -12.457 1.987 1.00 0.00 H new ATOM 1217 N PHE A 95 7.699 -13.509 1.084 1.00 0.00 N ATOM 1218 CA PHE A 95 7.124 -14.839 1.030 1.00 0.00 C ATOM 1219 C PHE A 95 8.228 -15.875 0.973 1.00 0.00 C ATOM 1220 O PHE A 95 9.289 -15.632 0.395 1.00 0.00 O ATOM 1221 CB PHE A 95 6.221 -14.988 -0.196 1.00 0.00 C ATOM 1222 CG PHE A 95 4.934 -14.232 -0.103 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.863 -14.776 0.570 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.789 -12.989 -0.691 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.669 -14.105 0.667 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.592 -12.307 -0.598 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.529 -12.872 0.083 1.00 0.00 C ATOM 0 H PHE A 95 8.176 -13.226 0.228 1.00 0.00 H new ATOM 0 HA PHE A 95 6.525 -14.991 1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.765 -14.650 -1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.999 -16.045 -0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.964 -15.748 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.617 -12.549 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.842 -14.547 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.486 -11.335 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.590 -12.343 0.155 1.00 0.00 H new ATOM 1237 N ASN A 96 7.994 -17.011 1.607 1.00 0.00 N ATOM 1238 CA ASN A 96 8.916 -18.131 1.513 1.00 0.00 C ATOM 1239 C ASN A 96 8.772 -18.822 0.161 1.00 0.00 C ATOM 1240 O ASN A 96 8.016 -18.355 -0.692 1.00 0.00 O ATOM 1241 CB ASN A 96 8.722 -19.119 2.671 1.00 0.00 C ATOM 1242 CG ASN A 96 7.301 -19.631 2.812 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.581 -19.818 1.829 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.887 -19.848 4.053 1.00 0.00 N ATOM 0 H ASN A 96 7.176 -17.183 2.191 1.00 0.00 H new ATOM 0 HA ASN A 96 9.932 -17.743 1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.391 -19.968 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.017 -18.635 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.939 -20.183 4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.517 -19.680 4.837 1.00 0.00 H new ATOM 1251 N SER A 97 9.456 -19.930 -0.033 1.00 0.00 N ATOM 1252 CA SER A 97 9.471 -20.596 -1.325 1.00 0.00 C ATOM 1253 C SER A 97 8.088 -21.132 -1.716 1.00 0.00 C ATOM 1254 O SER A 97 7.788 -21.281 -2.901 1.00 0.00 O ATOM 1255 CB SER A 97 10.504 -21.717 -1.307 1.00 0.00 C ATOM 1256 OG SER A 97 11.787 -21.208 -0.969 1.00 0.00 O ATOM 0 H SER A 97 10.011 -20.392 0.687 1.00 0.00 H new ATOM 0 HA SER A 97 9.746 -19.861 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.208 -22.480 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.543 -22.199 -2.284 1.00 0.00 H new ATOM 0 HG SER A 97 12.438 -21.941 -0.960 1.00 0.00 H new ATOM 1262 N SER A 98 7.237 -21.400 -0.733 1.00 0.00 N ATOM 1263 CA SER A 98 5.929 -21.968 -1.015 1.00 0.00 C ATOM 1264 C SER A 98 4.921 -20.868 -1.354 1.00 0.00 C ATOM 1265 O SER A 98 3.834 -21.143 -1.866 1.00 0.00 O ATOM 1266 CB SER A 98 5.447 -22.792 0.180 1.00 0.00 C ATOM 1267 OG SER A 98 4.278 -23.529 -0.132 1.00 0.00 O ATOM 0 H SER A 98 7.428 -21.235 0.255 1.00 0.00 H new ATOM 0 HA SER A 98 6.014 -22.624 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.236 -23.476 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.246 -22.130 1.022 1.00 0.00 H new ATOM 0 HG SER A 98 3.998 -24.045 0.652 1.00 0.00 H new ATOM 1273 N GLY A 99 5.287 -19.624 -1.072 1.00 0.00 N ATOM 1274 CA GLY A 99 4.401 -18.512 -1.361 1.00 0.00 C ATOM 1275 C GLY A 99 3.572 -18.153 -0.153 1.00 0.00 C ATOM 1276 O GLY A 99 2.433 -17.690 -0.266 1.00 0.00 O ATOM 0 H GLY A 99 6.179 -19.365 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.987 -17.648 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.745 -18.771 -2.192 1.00 0.00 H new ATOM 1280 N VAL A 100 4.157 -18.381 1.007 1.00 0.00 N ATOM 1281 CA VAL A 100 3.496 -18.151 2.275 1.00 0.00 C ATOM 1282 C VAL A 100 4.168 -16.991 2.996 1.00 0.00 C ATOM 1283 O VAL A 100 5.394 -16.874 2.967 1.00 0.00 O ATOM 1284 CB VAL A 100 3.572 -19.409 3.149 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.596 -19.311 4.307 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.311 -20.650 2.312 1.00 0.00 C ATOM 0 H VAL A 100 5.110 -18.733 1.096 1.00 0.00 H new ATOM 0 HA VAL A 100 2.449 -17.911 2.089 1.00 0.00 H new ATOM 0 HB VAL A 100 4.577 -19.488 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.663 -20.212 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.841 -18.441 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.582 -19.209 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.368 -21.535 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.318 -20.586 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.059 -20.720 1.522 1.00 0.00 H new ATOM 1296 N LEU A 101 3.371 -16.120 3.611 1.00 0.00 N ATOM 1297 CA LEU A 101 3.896 -14.973 4.326 1.00 0.00 C ATOM 1298 C LEU A 101 4.829 -15.369 5.445 1.00 0.00 C ATOM 1299 O LEU A 101 4.466 -16.134 6.341 1.00 0.00 O ATOM 1300 CB LEU A 101 2.766 -14.137 4.887 1.00 0.00 C ATOM 1301 CG LEU A 101 2.368 -12.970 4.007 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.270 -12.166 4.662 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.569 -12.093 3.726 1.00 0.00 C ATOM 0 H LEU A 101 2.354 -16.193 3.625 1.00 0.00 H new ATOM 0 HA LEU A 101 4.468 -14.389 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.896 -14.776 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.060 -13.757 5.866 1.00 0.00 H new ATOM 0 HG LEU A 101 1.992 -13.360 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.996 -11.331 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.399 -12.802 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.621 -11.784 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.270 -11.258 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.968 -11.711 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.335 -12.678 3.217 1.00 0.00 H new ATOM 1315 N THR A 102 6.025 -14.825 5.384 1.00 0.00 N ATOM 1316 CA THR A 102 7.019 -15.041 6.417 1.00 0.00 C ATOM 1317 C THR A 102 7.259 -13.760 7.186 1.00 0.00 C ATOM 1318 O THR A 102 7.439 -13.772 8.402 1.00 0.00 O ATOM 1319 CB THR A 102 8.345 -15.529 5.816 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.014 -14.450 5.151 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.073 -16.614 4.808 1.00 0.00 C ATOM 0 H THR A 102 6.336 -14.223 4.622 1.00 0.00 H new ATOM 0 HA THR A 102 6.638 -15.808 7.091 1.00 0.00 H new ATOM 0 HB THR A 102 8.972 -15.909 6.622 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.380 -13.982 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.015 -16.959 4.382 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.569 -17.447 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.438 -16.222 4.014 1.00 0.00 H new ATOM 1329 N ASN A 103 7.245 -12.649 6.469 1.00 0.00 N ATOM 1330 CA ASN A 103 7.457 -11.356 7.097 1.00 0.00 C ATOM 1331 C ASN A 103 6.715 -10.254 6.364 1.00 0.00 C ATOM 1332 O ASN A 103 6.518 -10.316 5.148 1.00 0.00 O ATOM 1333 CB ASN A 103 8.947 -11.012 7.135 1.00 0.00 C ATOM 1334 CG ASN A 103 9.247 -9.793 7.990 1.00 0.00 C ATOM 1335 OD1 ASN A 103 8.562 -9.531 8.980 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.265 -9.035 7.612 1.00 0.00 N ATOM 0 H ASN A 103 7.091 -12.615 5.461 1.00 0.00 H new ATOM 0 HA ASN A 103 7.070 -11.426 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.503 -11.867 7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.300 -10.834 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.506 -8.201 8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.808 -9.286 6.786 1.00 0.00 H new ATOM 1343 N ILE A 104 6.314 -9.249 7.119 1.00 0.00 N ATOM 1344 CA ILE A 104 5.719 -8.048 6.562 1.00 0.00 C ATOM 1345 C ILE A 104 6.722 -6.913 6.752 1.00 0.00 C ATOM 1346 O ILE A 104 6.746 -6.268 7.801 1.00 0.00 O ATOM 1347 CB ILE A 104 4.396 -7.661 7.277 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.615 -8.895 7.760 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.528 -6.818 6.355 1.00 0.00 C ATOM 1350 CD1 ILE A 104 2.963 -9.712 6.662 1.00 0.00 C ATOM 0 H ILE A 104 6.391 -9.242 8.136 1.00 0.00 H new ATOM 0 HA ILE A 104 5.486 -8.227 5.512 1.00 0.00 H new ATOM 0 HB ILE A 104 4.661 -7.078 8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.294 -9.540 8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.843 -8.568 8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.603 -6.553 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.064 -5.909 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.294 -7.387 5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.437 -10.559 7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.254 -9.089 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.728 -10.076 5.976 1.00 0.00 H new ATOM 1362 N ASP A 105 7.550 -6.674 5.749 1.00 0.00 N ATOM 1363 CA ASP A 105 8.676 -5.757 5.901 1.00 0.00 C ATOM 1364 C ASP A 105 8.271 -4.326 5.592 1.00 0.00 C ATOM 1365 O ASP A 105 8.263 -3.907 4.441 1.00 0.00 O ATOM 1366 CB ASP A 105 9.820 -6.179 4.979 1.00 0.00 C ATOM 1367 CG ASP A 105 11.091 -5.390 5.221 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.331 -4.975 6.369 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.865 -5.200 4.258 1.00 0.00 O ATOM 0 H ASP A 105 7.468 -7.097 4.825 1.00 0.00 H new ATOM 0 HA ASP A 105 9.006 -5.800 6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.024 -7.240 5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.510 -6.051 3.942 1.00 0.00 H new ATOM 1374 N ASN A 106 7.945 -3.573 6.623 1.00 0.00 N ATOM 1375 CA ASN A 106 7.543 -2.192 6.451 1.00 0.00 C ATOM 1376 C ASN A 106 8.623 -1.238 6.938 1.00 0.00 C ATOM 1377 O ASN A 106 8.820 -1.045 8.139 1.00 0.00 O ATOM 1378 CB ASN A 106 6.205 -1.916 7.146 1.00 0.00 C ATOM 1379 CG ASN A 106 6.041 -2.607 8.493 1.00 0.00 C ATOM 1380 OD1 ASN A 106 7.004 -2.836 9.228 1.00 0.00 O ATOM 1381 ND2 ASN A 106 4.802 -2.947 8.822 1.00 0.00 N ATOM 0 H ASN A 106 7.951 -3.895 7.591 1.00 0.00 H new ATOM 0 HA ASN A 106 7.406 -2.017 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.098 -0.841 7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.396 -2.233 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.620 -3.415 9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.031 -2.741 8.187 1.00 0.00 H new ATOM 1388 N LYS A 107 9.328 -0.652 5.985 1.00 0.00 N ATOM 1389 CA LYS A 107 10.379 0.307 6.276 1.00 0.00 C ATOM 1390 C LYS A 107 10.368 1.406 5.210 1.00 0.00 C ATOM 1391 O LYS A 107 9.709 1.255 4.181 1.00 0.00 O ATOM 1392 CB LYS A 107 11.746 -0.394 6.326 1.00 0.00 C ATOM 1393 CG LYS A 107 12.369 -0.635 4.967 1.00 0.00 C ATOM 1394 CD LYS A 107 11.782 -1.847 4.258 1.00 0.00 C ATOM 1395 CE LYS A 107 12.538 -2.147 2.973 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.092 -3.417 2.342 1.00 0.00 N ATOM 0 H LYS A 107 9.188 -0.827 4.990 1.00 0.00 H new ATOM 0 HA LYS A 107 10.200 0.757 7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.429 0.208 6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.633 -1.350 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.227 0.249 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.444 -0.773 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.822 -2.713 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.731 -1.667 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.397 -1.325 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.605 -2.205 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.886 -3.844 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.766 -4.075 3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.312 -3.222 1.682 1.00 0.00 H new