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 90 THR OG1 : rot -28:sc= 0.983 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -179:sc= 0.674 (180deg=-0.128) USER MOD Single : A 39 THR OG1 : rot -68:sc= 1.25 USER MOD Single : A 41 ASN : amide:sc=-0.00466 K(o=-0.0047,f=-0.64) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0.479) USER MOD Single : A 50 MET CE :methyl -130:sc= -6.46! (180deg=-11!) USER MOD Single : A 51 THR OG1 : rot -133:sc= -2.79! USER MOD Single : A 52 GLN : amide:sc= -5.62! C(o=-5.6!,f=-6.2!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.122 F(o=-0.99,f=-0.12) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -152:sc= -2 (180deg=-4.02!) USER MOD Single : A 65 SER OG : rot 6:sc= 0.9 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot -12:sc= 0.721 USER MOD Single : A 92 THR OG1 : rot -150:sc= -1.4 USER MOD Single : A 94 THR OG1 : rot 124:sc= 1.15 USER MOD Single : A 96 ASN : amide:sc= -1.91! C(o=-1.9!,f=-9.7!) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 98 SER OG : rot -27:sc= 0.127 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 103 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.6) USER MOD Single : A 106 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -1.405 1.243 -1.577 1.00 0.00 N ATOM 335 CA LEU A 38 -1.770 0.735 -0.260 1.00 0.00 C ATOM 336 C LEU A 38 -1.245 1.673 0.823 1.00 0.00 C ATOM 337 O LEU A 38 -0.327 2.456 0.579 1.00 0.00 O ATOM 338 CB LEU A 38 -1.180 -0.666 -0.068 1.00 0.00 C ATOM 339 CG LEU A 38 -1.671 -1.439 1.154 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.750 -2.425 0.746 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.523 -2.156 1.841 1.00 0.00 C ATOM 0 HA LEU A 38 -2.856 0.681 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.399 -1.256 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.096 -0.576 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.094 -0.729 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.094 -2.972 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.587 -1.886 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.345 -3.127 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.900 -2.699 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.064 -2.858 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.220 -1.427 2.164 1.00 0.00 H new ATOM 353 N THR A 39 -1.848 1.620 2.000 1.00 0.00 N ATOM 354 CA THR A 39 -1.377 2.403 3.130 1.00 0.00 C ATOM 355 C THR A 39 -1.123 1.520 4.347 1.00 0.00 C ATOM 356 O THR A 39 -1.331 0.309 4.294 1.00 0.00 O ATOM 357 CB THR A 39 -2.381 3.503 3.516 1.00 0.00 C ATOM 358 OG1 THR A 39 -3.577 2.916 4.044 1.00 0.00 O ATOM 359 CG2 THR A 39 -2.726 4.347 2.311 1.00 0.00 C ATOM 0 H THR A 39 -2.665 1.042 2.197 1.00 0.00 H new ATOM 0 HA THR A 39 -0.442 2.868 2.817 1.00 0.00 H new ATOM 0 HB THR A 39 -1.922 4.136 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.048 2.436 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.437 5.121 2.600 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.821 4.813 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.169 3.717 1.540 1.00 0.00 H new ATOM 367 N ALA A 40 -0.702 2.132 5.448 1.00 0.00 N ATOM 368 CA ALA A 40 -0.447 1.396 6.685 1.00 0.00 C ATOM 369 C ALA A 40 -1.740 0.818 7.240 1.00 0.00 C ATOM 370 O ALA A 40 -1.754 -0.253 7.848 1.00 0.00 O ATOM 371 CB ALA A 40 0.200 2.298 7.721 1.00 0.00 C ATOM 0 H ALA A 40 -0.530 3.135 5.511 1.00 0.00 H new ATOM 0 HA ALA A 40 0.235 0.578 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.382 1.731 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.146 2.676 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.463 3.135 7.939 1.00 0.00 H new ATOM 377 N ASN A 41 -2.826 1.543 7.016 1.00 0.00 N ATOM 378 CA ASN A 41 -4.143 1.126 7.469 1.00 0.00 C ATOM 379 C ASN A 41 -4.528 -0.179 6.801 1.00 0.00 C ATOM 380 O ASN A 41 -5.042 -1.100 7.432 1.00 0.00 O ATOM 381 CB ASN A 41 -5.176 2.197 7.130 1.00 0.00 C ATOM 382 CG ASN A 41 -4.849 3.540 7.755 1.00 0.00 C ATOM 383 OD1 ASN A 41 -4.183 3.613 8.784 1.00 0.00 O ATOM 384 ND2 ASN A 41 -5.317 4.613 7.139 1.00 0.00 N ATOM 0 H ASN A 41 -2.819 2.433 6.517 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.115 0.984 8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.236 2.309 6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.158 1.871 7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.128 5.541 7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.867 4.512 6.286 1.00 0.00 H new ATOM 391 N ASP A 42 -4.248 -0.238 5.515 1.00 0.00 N ATOM 392 CA ASP A 42 -4.514 -1.424 4.712 1.00 0.00 C ATOM 393 C ASP A 42 -3.587 -2.569 5.106 1.00 0.00 C ATOM 394 O ASP A 42 -3.961 -3.733 5.014 1.00 0.00 O ATOM 395 CB ASP A 42 -4.355 -1.108 3.225 1.00 0.00 C ATOM 396 CG ASP A 42 -5.267 0.005 2.754 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.489 -0.228 2.637 1.00 0.00 O ATOM 398 OD2 ASP A 42 -4.768 1.126 2.503 1.00 0.00 O ATOM 0 H ASP A 42 -3.830 0.532 4.993 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.542 -1.734 4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.320 -0.830 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.560 -2.008 2.644 1.00 0.00 H new ATOM 403 N VAL A 43 -2.380 -2.237 5.550 1.00 0.00 N ATOM 404 CA VAL A 43 -1.443 -3.248 6.040 1.00 0.00 C ATOM 405 C VAL A 43 -2.040 -4.003 7.228 1.00 0.00 C ATOM 406 O VAL A 43 -1.867 -5.212 7.362 1.00 0.00 O ATOM 407 CB VAL A 43 -0.097 -2.623 6.466 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.793 -3.664 7.110 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.613 -2.020 5.281 1.00 0.00 C ATOM 0 H VAL A 43 -2.026 -1.281 5.582 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.260 -3.939 5.217 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.310 -1.836 7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.737 -3.205 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.298 -4.071 7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.986 -4.468 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.559 -1.586 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.805 -2.795 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.011 -1.242 4.840 1.00 0.00 H new ATOM 419 N SER A 44 -2.756 -3.274 8.069 1.00 0.00 N ATOM 420 CA SER A 44 -3.407 -3.846 9.245 1.00 0.00 C ATOM 421 C SER A 44 -4.388 -4.960 8.860 1.00 0.00 C ATOM 422 O SER A 44 -4.721 -5.824 9.676 1.00 0.00 O ATOM 423 CB SER A 44 -4.131 -2.740 10.004 1.00 0.00 C ATOM 424 OG SER A 44 -4.706 -3.215 11.209 1.00 0.00 O ATOM 0 H SER A 44 -2.904 -2.271 7.959 1.00 0.00 H new ATOM 0 HA SER A 44 -2.643 -4.292 9.882 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.431 -1.935 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.911 -2.316 9.372 1.00 0.00 H new ATOM 0 HG SER A 44 -5.160 -2.477 11.668 1.00 0.00 H new ATOM 430 N LYS A 45 -4.837 -4.932 7.610 1.00 0.00 N ATOM 431 CA LYS A 45 -5.785 -5.914 7.098 1.00 0.00 C ATOM 432 C LYS A 45 -5.142 -7.292 6.945 1.00 0.00 C ATOM 433 O LYS A 45 -5.822 -8.313 7.050 1.00 0.00 O ATOM 434 CB LYS A 45 -6.334 -5.458 5.755 1.00 0.00 C ATOM 435 CG LYS A 45 -7.088 -4.142 5.825 1.00 0.00 C ATOM 436 CD LYS A 45 -7.490 -3.675 4.441 1.00 0.00 C ATOM 437 CE LYS A 45 -8.433 -4.663 3.791 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.534 -4.449 2.325 1.00 0.00 N ATOM 0 H LYS A 45 -4.555 -4.230 6.925 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.597 -5.996 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.509 -5.358 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.998 -6.228 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.976 -4.260 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.464 -3.386 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.969 -2.698 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.601 -3.553 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.087 -5.678 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.422 -4.571 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.446 -4.814 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.468 -3.432 2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.759 -4.951 1.847 1.00 0.00 H new ATOM 452 N ILE A 46 -3.839 -7.326 6.684 1.00 0.00 N ATOM 453 CA ILE A 46 -3.154 -8.584 6.484 1.00 0.00 C ATOM 454 C ILE A 46 -2.435 -9.054 7.730 1.00 0.00 C ATOM 455 O ILE A 46 -2.474 -8.415 8.782 1.00 0.00 O ATOM 456 CB ILE A 46 -2.137 -8.539 5.334 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.057 -7.475 5.553 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.855 -8.323 4.023 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.119 -7.646 4.618 1.00 0.00 C ATOM 0 H ILE A 46 -3.246 -6.500 6.608 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.947 -9.287 6.230 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.623 -9.500 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.491 -6.486 5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.708 -7.523 6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.128 -8.292 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.555 -9.141 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.400 -7.380 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.856 -6.867 4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.573 -8.624 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.223 -7.570 3.586 1.00 0.00 H new ATOM 471 N ARG A 47 -1.763 -10.185 7.574 1.00 0.00 N ATOM 472 CA ARG A 47 -1.061 -10.842 8.661 1.00 0.00 C ATOM 473 C ARG A 47 -0.228 -11.978 8.107 1.00 0.00 C ATOM 474 O ARG A 47 -0.567 -12.566 7.078 1.00 0.00 O ATOM 475 CB ARG A 47 -2.048 -11.396 9.701 1.00 0.00 C ATOM 476 CG ARG A 47 -2.960 -12.495 9.169 1.00 0.00 C ATOM 477 CD ARG A 47 -4.141 -11.928 8.400 1.00 0.00 C ATOM 478 NE ARG A 47 -4.941 -11.029 9.230 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.272 -11.005 9.240 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.967 -11.825 8.455 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.907 -10.160 10.038 1.00 0.00 N ATOM 0 H ARG A 47 -1.690 -10.674 6.682 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.420 -10.109 9.150 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.485 -11.785 10.550 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.663 -10.577 10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.389 -13.158 8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.324 -13.099 10.000 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.781 -11.390 7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.767 -12.744 8.039 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.448 -10.378 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.480 -12.477 7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.987 -11.801 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.376 -9.532 10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.927 -10.138 10.049 1.00 0.00 H new ATOM 495 N VAL A 48 0.858 -12.274 8.790 1.00 0.00 N ATOM 496 CA VAL A 48 1.742 -13.338 8.381 1.00 0.00 C ATOM 497 C VAL A 48 1.093 -14.687 8.643 1.00 0.00 C ATOM 498 O VAL A 48 0.352 -14.848 9.618 1.00 0.00 O ATOM 499 CB VAL A 48 3.075 -13.256 9.124 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.194 -13.775 8.247 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.347 -11.833 9.554 1.00 0.00 C ATOM 0 H VAL A 48 1.149 -11.786 9.637 1.00 0.00 H new ATOM 0 HA VAL A 48 1.932 -13.229 7.313 1.00 0.00 H new ATOM 0 HB VAL A 48 3.021 -13.879 10.017 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.139 -13.712 8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.997 -14.814 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.254 -13.174 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.299 -11.788 10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.389 -11.189 8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.549 -11.494 10.215 1.00 0.00 H new ATOM 511 N GLY A 49 1.360 -15.644 7.777 1.00 0.00 N ATOM 512 CA GLY A 49 0.745 -16.946 7.906 1.00 0.00 C ATOM 513 C GLY A 49 -0.068 -17.306 6.684 1.00 0.00 C ATOM 514 O GLY A 49 -0.112 -18.471 6.282 1.00 0.00 O ATOM 0 H GLY A 49 1.993 -15.545 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.517 -17.699 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.103 -16.959 8.787 1.00 0.00 H new ATOM 518 N MET A 50 -0.716 -16.310 6.088 1.00 0.00 N ATOM 519 CA MET A 50 -1.493 -16.553 4.883 1.00 0.00 C ATOM 520 C MET A 50 -0.618 -16.489 3.640 1.00 0.00 C ATOM 521 O MET A 50 0.580 -16.199 3.716 1.00 0.00 O ATOM 522 CB MET A 50 -2.699 -15.612 4.748 1.00 0.00 C ATOM 523 CG MET A 50 -2.406 -14.131 4.891 1.00 0.00 C ATOM 524 SD MET A 50 -3.896 -13.134 4.647 1.00 0.00 S ATOM 525 CE MET A 50 -3.214 -11.485 4.634 1.00 0.00 C ATOM 0 H MET A 50 -0.718 -15.344 6.414 1.00 0.00 H new ATOM 0 HA MET A 50 -1.891 -17.563 4.977 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.158 -15.779 3.773 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.438 -15.890 5.500 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.993 -13.935 5.881 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.648 -13.837 4.165 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.777 -10.853 5.321 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.170 -11.521 4.946 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.278 -11.073 3.627 1.00 0.00 H new ATOM 535 N THR A 51 -1.224 -16.762 2.502 1.00 0.00 N ATOM 536 CA THR A 51 -0.486 -16.945 1.268 1.00 0.00 C ATOM 537 C THR A 51 -0.419 -15.669 0.452 1.00 0.00 C ATOM 538 O THR A 51 -0.889 -14.613 0.880 1.00 0.00 O ATOM 539 CB THR A 51 -1.135 -18.018 0.392 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.389 -17.549 -0.111 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.366 -19.269 1.185 1.00 0.00 C ATOM 0 H THR A 51 -2.234 -16.863 2.406 1.00 0.00 H new ATOM 0 HA THR A 51 0.520 -17.246 1.561 1.00 0.00 H new ATOM 0 HB THR A 51 -0.463 -18.234 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.071 -18.242 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.828 -20.023 0.548 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.413 -19.644 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.025 -19.051 2.026 1.00 0.00 H new ATOM 549 N GLN A 52 0.149 -15.786 -0.735 1.00 0.00 N ATOM 550 CA GLN A 52 0.140 -14.708 -1.691 1.00 0.00 C ATOM 551 C GLN A 52 -1.282 -14.372 -2.101 1.00 0.00 C ATOM 552 O GLN A 52 -1.684 -13.212 -2.076 1.00 0.00 O ATOM 553 CB GLN A 52 0.938 -15.090 -2.924 1.00 0.00 C ATOM 554 CG GLN A 52 2.436 -15.163 -2.694 1.00 0.00 C ATOM 555 CD GLN A 52 3.189 -15.559 -3.943 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.742 -15.300 -5.056 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.342 -16.179 -3.769 1.00 0.00 N ATOM 0 H GLN A 52 0.625 -16.629 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 52 0.594 -13.835 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.589 -16.058 -3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.737 -14.365 -3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.796 -14.194 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.645 -15.883 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.678 -16.376 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.896 -16.461 -4.577 1.00 0.00 H new ATOM 566 N GLN A 53 -2.062 -15.393 -2.440 1.00 0.00 N ATOM 567 CA GLN A 53 -3.397 -15.157 -2.965 1.00 0.00 C ATOM 568 C GLN A 53 -4.258 -14.506 -1.905 1.00 0.00 C ATOM 569 O GLN A 53 -5.130 -13.699 -2.201 1.00 0.00 O ATOM 570 CB GLN A 53 -4.037 -16.452 -3.464 1.00 0.00 C ATOM 571 CG GLN A 53 -4.289 -17.501 -2.396 1.00 0.00 C ATOM 572 CD GLN A 53 -5.764 -17.799 -2.186 1.00 0.00 C ATOM 573 OE1 GLN A 53 -6.616 -16.796 -2.346 1.00 0.00 O flip ATOM 574 NE2 GLN A 53 -6.135 -18.926 -1.859 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.797 -16.375 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.316 -14.484 -3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.985 -16.209 -3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.394 -16.884 -4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.775 -18.422 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.856 -17.163 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.452 -19.675 -1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.126 -19.111 -1.702 1.00 0.00 H new ATOM 583 N GLN A 54 -3.995 -14.869 -0.667 1.00 0.00 N ATOM 584 CA GLN A 54 -4.659 -14.246 0.466 1.00 0.00 C ATOM 585 C GLN A 54 -4.355 -12.753 0.510 1.00 0.00 C ATOM 586 O GLN A 54 -5.264 -11.923 0.554 1.00 0.00 O ATOM 587 CB GLN A 54 -4.199 -14.880 1.772 1.00 0.00 C ATOM 588 CG GLN A 54 -4.351 -16.386 1.821 1.00 0.00 C ATOM 589 CD GLN A 54 -5.561 -16.840 2.605 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.598 -16.181 2.617 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.415 -17.960 3.294 1.00 0.00 N ATOM 0 H GLN A 54 -3.324 -15.595 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.732 -14.397 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.152 -14.627 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.765 -14.442 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.421 -16.770 0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.455 -16.820 2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.534 -18.473 3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.183 -18.310 3.867 1.00 0.00 H new ATOM 600 N VAL A 55 -3.071 -12.416 0.481 1.00 0.00 N ATOM 601 CA VAL A 55 -2.643 -11.036 0.597 1.00 0.00 C ATOM 602 C VAL A 55 -3.016 -10.228 -0.638 1.00 0.00 C ATOM 603 O VAL A 55 -3.443 -9.087 -0.524 1.00 0.00 O ATOM 604 CB VAL A 55 -1.130 -10.949 0.840 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.670 -9.506 0.815 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.784 -11.586 2.165 1.00 0.00 C ATOM 0 H VAL A 55 -2.309 -13.086 0.378 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.164 -10.610 1.454 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.616 -11.487 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.405 -9.464 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.898 -9.068 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.186 -8.946 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.291 -11.520 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.307 -11.065 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.086 -12.633 2.155 1.00 0.00 H new ATOM 616 N ALA A 56 -2.876 -10.823 -1.815 1.00 0.00 N ATOM 617 CA ALA A 56 -3.247 -10.147 -3.056 1.00 0.00 C ATOM 618 C ALA A 56 -4.717 -9.778 -3.026 1.00 0.00 C ATOM 619 O ALA A 56 -5.139 -8.779 -3.603 1.00 0.00 O ATOM 620 CB ALA A 56 -2.962 -11.026 -4.263 1.00 0.00 C ATOM 0 H ALA A 56 -2.511 -11.767 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.647 -9.241 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.248 -10.498 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.898 -11.261 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.536 -11.950 -4.184 1.00 0.00 H new ATOM 626 N TYR A 57 -5.494 -10.606 -2.360 1.00 0.00 N ATOM 627 CA TYR A 57 -6.917 -10.382 -2.242 1.00 0.00 C ATOM 628 C TYR A 57 -7.230 -9.361 -1.142 1.00 0.00 C ATOM 629 O TYR A 57 -8.157 -8.560 -1.267 1.00 0.00 O ATOM 630 CB TYR A 57 -7.610 -11.706 -1.980 1.00 0.00 C ATOM 631 CG TYR A 57 -7.779 -12.540 -3.232 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.884 -12.426 -4.297 1.00 0.00 C ATOM 633 CD2 TYR A 57 -8.826 -13.443 -3.354 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.032 -13.180 -5.433 1.00 0.00 C ATOM 635 CE2 TYR A 57 -8.977 -14.208 -4.495 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.078 -14.073 -5.531 1.00 0.00 C ATOM 637 OH TYR A 57 -8.217 -14.837 -6.665 1.00 0.00 O ATOM 0 H TYR A 57 -5.159 -11.447 -1.889 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.291 -9.964 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.035 -12.272 -1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.589 -11.517 -1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.060 -11.731 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.533 -13.549 -2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.331 -13.075 -6.248 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.795 -14.908 -4.574 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.003 -15.416 -6.575 1.00 0.00 H new ATOM 647 N ALA A 58 -6.457 -9.415 -0.061 1.00 0.00 N ATOM 648 CA ALA A 58 -6.622 -8.507 1.071 1.00 0.00 C ATOM 649 C ALA A 58 -6.082 -7.113 0.767 1.00 0.00 C ATOM 650 O ALA A 58 -6.750 -6.103 1.002 1.00 0.00 O ATOM 651 CB ALA A 58 -5.909 -9.069 2.292 1.00 0.00 C ATOM 0 H ALA A 58 -5.700 -10.088 0.055 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.691 -8.419 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.036 -8.387 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.333 -10.041 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.847 -9.182 2.073 1.00 0.00 H new ATOM 657 N LEU A 59 -4.865 -7.081 0.253 1.00 0.00 N ATOM 658 CA LEU A 59 -4.125 -5.849 0.042 1.00 0.00 C ATOM 659 C LEU A 59 -4.376 -5.264 -1.338 1.00 0.00 C ATOM 660 O LEU A 59 -4.386 -4.045 -1.517 1.00 0.00 O ATOM 661 CB LEU A 59 -2.636 -6.141 0.226 1.00 0.00 C ATOM 662 CG LEU A 59 -1.956 -5.374 1.347 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.883 -5.272 2.538 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.675 -6.071 1.731 1.00 0.00 C ATOM 0 H LEU A 59 -4.357 -7.918 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.464 -5.110 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.512 -7.208 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.121 -5.918 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.720 -4.366 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.388 -4.721 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.794 -4.749 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.136 -6.272 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.188 -5.520 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.898 -7.083 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.011 -6.114 0.867 1.00 0.00 H new ATOM 676 N GLY A 60 -4.589 -6.134 -2.306 1.00 0.00 N ATOM 677 CA GLY A 60 -4.757 -5.694 -3.668 1.00 0.00 C ATOM 678 C GLY A 60 -3.623 -6.176 -4.544 1.00 0.00 C ATOM 679 O GLY A 60 -2.452 -5.992 -4.207 1.00 0.00 O ATOM 0 H GLY A 60 -4.649 -7.143 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.704 -6.066 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.805 -4.605 -3.698 1.00 0.00 H new ATOM 683 N THR A 61 -3.961 -6.818 -5.650 1.00 0.00 N ATOM 684 CA THR A 61 -2.960 -7.325 -6.563 1.00 0.00 C ATOM 685 C THR A 61 -2.100 -6.192 -7.116 1.00 0.00 C ATOM 686 O THR A 61 -2.609 -5.154 -7.547 1.00 0.00 O ATOM 687 CB THR A 61 -3.612 -8.118 -7.706 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.662 -7.347 -8.310 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.179 -9.425 -7.174 1.00 0.00 C ATOM 0 H THR A 61 -4.924 -6.999 -5.934 1.00 0.00 H new ATOM 0 HA THR A 61 -2.312 -8.001 -6.006 1.00 0.00 H new ATOM 0 HB THR A 61 -2.853 -8.334 -8.458 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.069 -7.862 -9.038 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.639 -9.981 -7.991 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.376 -10.019 -6.738 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.929 -9.213 -6.412 1.00 0.00 H new ATOM 697 N PRO A 62 -0.776 -6.386 -7.086 1.00 0.00 N ATOM 698 CA PRO A 62 0.200 -5.357 -7.446 1.00 0.00 C ATOM 699 C PRO A 62 0.217 -5.057 -8.941 1.00 0.00 C ATOM 700 O PRO A 62 -0.252 -5.846 -9.759 1.00 0.00 O ATOM 701 CB PRO A 62 1.546 -5.956 -6.998 1.00 0.00 C ATOM 702 CG PRO A 62 1.201 -7.158 -6.179 1.00 0.00 C ATOM 703 CD PRO A 62 -0.123 -7.634 -6.691 1.00 0.00 C ATOM 0 HA PRO A 62 -0.033 -4.403 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.158 -6.230 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.120 -5.236 -6.415 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.961 -7.932 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.143 -6.906 -5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.011 -8.318 -7.533 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.689 -8.163 -5.924 1.00 0.00 H new ATOM 711 N LEU A 63 0.798 -3.901 -9.257 1.00 0.00 N ATOM 712 CA LEU A 63 0.746 -3.274 -10.582 1.00 0.00 C ATOM 713 C LEU A 63 1.222 -4.209 -11.679 1.00 0.00 C ATOM 714 O LEU A 63 0.731 -4.155 -12.802 1.00 0.00 O ATOM 715 CB LEU A 63 1.639 -2.039 -10.578 1.00 0.00 C ATOM 716 CG LEU A 63 1.537 -1.172 -9.329 1.00 0.00 C ATOM 717 CD1 LEU A 63 2.875 -0.511 -9.060 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.443 -0.129 -9.486 1.00 0.00 C ATOM 0 H LEU A 63 1.334 -3.357 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.293 -3.015 -10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.675 -2.358 -10.696 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.392 -1.428 -11.447 1.00 0.00 H new ATOM 0 HG LEU A 63 1.276 -1.803 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.801 0.109 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.635 -1.277 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.151 0.111 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.387 0.479 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.669 0.510 -10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.513 -0.626 -9.648 1.00 0.00 H new ATOM 730 N MET A 64 2.192 -5.050 -11.338 1.00 0.00 N ATOM 731 CA MET A 64 2.745 -6.023 -12.281 1.00 0.00 C ATOM 732 C MET A 64 1.705 -7.059 -12.720 1.00 0.00 C ATOM 733 O MET A 64 2.009 -7.945 -13.515 1.00 0.00 O ATOM 734 CB MET A 64 3.956 -6.715 -11.659 1.00 0.00 C ATOM 735 CG MET A 64 3.736 -7.162 -10.224 1.00 0.00 C ATOM 736 SD MET A 64 5.237 -7.801 -9.474 1.00 0.00 S ATOM 737 CE MET A 64 4.678 -7.958 -7.789 1.00 0.00 C ATOM 0 H MET A 64 2.616 -5.079 -10.411 1.00 0.00 H new ATOM 0 HA MET A 64 3.053 -5.480 -13.175 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.217 -7.583 -12.264 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.808 -6.036 -11.692 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.368 -6.321 -9.636 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.964 -7.931 -10.199 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.527 -7.853 -7.113 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.945 -7.180 -7.575 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.220 -8.937 -7.647 1.00 0.00 H new ATOM 747 N SER A 65 0.495 -6.952 -12.165 1.00 0.00 N ATOM 748 CA SER A 65 -0.678 -7.751 -12.565 1.00 0.00 C ATOM 749 C SER A 65 -0.495 -9.257 -12.349 1.00 0.00 C ATOM 750 O SER A 65 -1.379 -10.050 -12.673 1.00 0.00 O ATOM 751 CB SER A 65 -1.098 -7.455 -14.021 1.00 0.00 C ATOM 752 OG SER A 65 -0.092 -7.808 -14.958 1.00 0.00 O ATOM 0 H SER A 65 0.294 -6.296 -11.410 1.00 0.00 H new ATOM 0 HA SER A 65 -1.483 -7.439 -11.900 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.012 -8.002 -14.251 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.328 -6.394 -14.121 1.00 0.00 H new ATOM 0 HG SER A 65 0.641 -8.265 -14.495 1.00 0.00 H new ATOM 758 N ASP A 66 0.641 -9.648 -11.799 1.00 0.00 N ATOM 759 CA ASP A 66 0.865 -11.031 -11.411 1.00 0.00 C ATOM 760 C ASP A 66 1.531 -11.078 -10.050 1.00 0.00 C ATOM 761 O ASP A 66 2.756 -11.007 -9.953 1.00 0.00 O ATOM 762 CB ASP A 66 1.756 -11.788 -12.398 1.00 0.00 C ATOM 763 CG ASP A 66 1.169 -11.927 -13.788 1.00 0.00 C ATOM 764 OD1 ASP A 66 0.138 -12.616 -13.940 1.00 0.00 O ATOM 765 OD2 ASP A 66 1.752 -11.367 -14.742 1.00 0.00 O ATOM 0 H ASP A 66 1.426 -9.025 -11.610 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.113 -11.511 -11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.715 -11.275 -12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.956 -12.783 -12.000 1.00 0.00 H new ATOM 770 N PRO A 67 0.742 -11.176 -8.976 1.00 0.00 N ATOM 771 CA PRO A 67 1.290 -11.291 -7.629 1.00 0.00 C ATOM 772 C PRO A 67 2.007 -12.627 -7.427 1.00 0.00 C ATOM 773 O PRO A 67 3.030 -12.694 -6.746 1.00 0.00 O ATOM 774 CB PRO A 67 0.053 -11.197 -6.727 1.00 0.00 C ATOM 775 CG PRO A 67 -1.093 -11.612 -7.589 1.00 0.00 C ATOM 776 CD PRO A 67 -0.731 -11.185 -8.989 1.00 0.00 C ATOM 0 HA PRO A 67 2.036 -10.525 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.149 -11.849 -5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.084 -10.183 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.251 -12.689 -7.537 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.019 -11.138 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.122 -11.879 -9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.136 -10.201 -9.226 1.00 0.00 H new ATOM 784 N PHE A 68 1.485 -13.669 -8.075 1.00 0.00 N ATOM 785 CA PHE A 68 2.013 -15.026 -7.938 1.00 0.00 C ATOM 786 C PHE A 68 3.264 -15.228 -8.788 1.00 0.00 C ATOM 787 O PHE A 68 3.737 -16.354 -8.959 1.00 0.00 O ATOM 788 CB PHE A 68 0.944 -16.047 -8.337 1.00 0.00 C ATOM 789 CG PHE A 68 0.531 -16.961 -7.219 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.415 -16.557 -6.291 1.00 0.00 C ATOM 791 CD2 PHE A 68 1.090 -18.223 -7.097 1.00 0.00 C ATOM 792 CE1 PHE A 68 -0.796 -17.396 -5.261 1.00 0.00 C ATOM 793 CE2 PHE A 68 0.712 -19.065 -6.069 1.00 0.00 C ATOM 794 CZ PHE A 68 -0.231 -18.652 -5.149 1.00 0.00 C ATOM 0 H PHE A 68 0.688 -13.596 -8.707 1.00 0.00 H new ATOM 0 HA PHE A 68 2.287 -15.173 -6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.065 -15.515 -8.702 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.320 -16.648 -9.165 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.859 -15.576 -6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.829 -18.552 -7.813 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.535 -17.070 -4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.154 -20.047 -5.985 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.526 -19.309 -4.344 1.00 0.00 H new ATOM 804 N GLY A 69 3.794 -14.142 -9.330 1.00 0.00 N ATOM 805 CA GLY A 69 4.995 -14.230 -10.128 1.00 0.00 C ATOM 806 C GLY A 69 6.237 -13.996 -9.294 1.00 0.00 C ATOM 807 O GLY A 69 7.317 -14.485 -9.616 1.00 0.00 O ATOM 0 H GLY A 69 3.412 -13.201 -9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.050 -15.213 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.953 -13.496 -10.932 1.00 0.00 H new ATOM 811 N THR A 70 6.070 -13.255 -8.212 1.00 0.00 N ATOM 812 CA THR A 70 7.179 -12.893 -7.346 1.00 0.00 C ATOM 813 C THR A 70 6.894 -13.322 -5.906 1.00 0.00 C ATOM 814 O THR A 70 5.812 -13.819 -5.596 1.00 0.00 O ATOM 815 CB THR A 70 7.428 -11.372 -7.377 1.00 0.00 C ATOM 816 OG1 THR A 70 8.636 -11.037 -6.677 1.00 0.00 O ATOM 817 CG2 THR A 70 6.272 -10.656 -6.748 1.00 0.00 C ATOM 0 H THR A 70 5.167 -12.889 -7.910 1.00 0.00 H new ATOM 0 HA THR A 70 8.067 -13.408 -7.713 1.00 0.00 H new ATOM 0 HB THR A 70 7.531 -11.063 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.775 -10.068 -6.711 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.453 -9.581 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.360 -10.883 -7.300 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.161 -10.982 -5.714 1.00 0.00 H new ATOM 825 N ASN A 71 7.874 -13.118 -5.038 1.00 0.00 N ATOM 826 CA ASN A 71 7.727 -13.402 -3.616 1.00 0.00 C ATOM 827 C ASN A 71 8.111 -12.165 -2.813 1.00 0.00 C ATOM 828 O ASN A 71 8.325 -12.232 -1.600 1.00 0.00 O ATOM 829 CB ASN A 71 8.592 -14.600 -3.196 1.00 0.00 C ATOM 830 CG ASN A 71 8.144 -15.900 -3.842 1.00 0.00 C ATOM 831 OD1 ASN A 71 7.309 -16.625 -3.299 1.00 0.00 O ATOM 832 ND2 ASN A 71 8.711 -16.213 -5.001 1.00 0.00 N ATOM 0 H ASN A 71 8.790 -12.752 -5.297 1.00 0.00 H new ATOM 0 HA ASN A 71 6.687 -13.659 -3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.631 -14.405 -3.463 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.557 -14.706 -2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.459 -17.081 -5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.399 -15.586 -5.418 1.00 0.00 H new ATOM 839 N THR A 72 8.216 -11.039 -3.514 1.00 0.00 N ATOM 840 CA THR A 72 8.516 -9.760 -2.901 1.00 0.00 C ATOM 841 C THR A 72 7.549 -8.700 -3.424 1.00 0.00 C ATOM 842 O THR A 72 7.600 -8.320 -4.594 1.00 0.00 O ATOM 843 CB THR A 72 9.962 -9.333 -3.201 1.00 0.00 C ATOM 844 OG1 THR A 72 10.867 -10.386 -2.840 1.00 0.00 O ATOM 845 CG2 THR A 72 10.304 -8.084 -2.424 1.00 0.00 C ATOM 0 H THR A 72 8.094 -10.994 -4.526 1.00 0.00 H new ATOM 0 HA THR A 72 8.403 -9.861 -1.822 1.00 0.00 H new ATOM 0 HB THR A 72 10.054 -9.128 -4.268 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.786 -10.108 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.330 -7.789 -2.643 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.626 -7.280 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.203 -8.280 -1.357 1.00 0.00 H new ATOM 853 N TRP A 73 6.650 -8.248 -2.566 1.00 0.00 N ATOM 854 CA TRP A 73 5.621 -7.299 -2.978 1.00 0.00 C ATOM 855 C TRP A 73 5.912 -5.919 -2.417 1.00 0.00 C ATOM 856 O TRP A 73 6.502 -5.796 -1.344 1.00 0.00 O ATOM 857 CB TRP A 73 4.240 -7.778 -2.526 1.00 0.00 C ATOM 858 CG TRP A 73 3.801 -9.045 -3.199 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.483 -9.756 -4.144 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.579 -9.747 -2.981 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.760 -10.858 -4.523 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.588 -10.873 -3.822 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.476 -9.533 -2.158 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.544 -11.783 -3.857 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.439 -10.438 -2.196 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.479 -11.547 -3.041 1.00 0.00 C ATOM 0 H TRP A 73 6.609 -8.519 -1.584 1.00 0.00 H new ATOM 0 HA TRP A 73 5.628 -7.237 -4.066 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.252 -7.933 -1.447 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.508 -6.996 -2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.453 -9.489 -4.537 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.049 -11.551 -5.213 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.435 -8.675 -1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.573 -12.646 -4.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.421 -10.286 -1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.354 -12.235 -3.049 1.00 0.00 H new ATOM 877 N PHE A 74 5.495 -4.882 -3.138 1.00 0.00 N ATOM 878 CA PHE A 74 5.804 -3.514 -2.739 1.00 0.00 C ATOM 879 C PHE A 74 4.531 -2.692 -2.570 1.00 0.00 C ATOM 880 O PHE A 74 3.788 -2.468 -3.525 1.00 0.00 O ATOM 881 CB PHE A 74 6.719 -2.839 -3.771 1.00 0.00 C ATOM 882 CG PHE A 74 7.842 -3.716 -4.258 1.00 0.00 C ATOM 883 CD1 PHE A 74 8.864 -4.104 -3.406 1.00 0.00 C ATOM 884 CD2 PHE A 74 7.860 -4.162 -5.570 1.00 0.00 C ATOM 885 CE1 PHE A 74 9.885 -4.919 -3.860 1.00 0.00 C ATOM 886 CE2 PHE A 74 8.878 -4.977 -6.026 1.00 0.00 C ATOM 887 CZ PHE A 74 9.891 -5.357 -5.170 1.00 0.00 C ATOM 0 H PHE A 74 4.947 -4.962 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 74 6.322 -3.560 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.118 -2.527 -4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.141 -1.935 -3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.863 -3.767 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.069 -3.869 -6.244 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.679 -5.213 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.881 -5.316 -7.051 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.687 -5.996 -5.523 1.00 0.00 H new ATOM 897 N TYR A 75 4.279 -2.268 -1.344 1.00 0.00 N ATOM 898 CA TYR A 75 3.174 -1.372 -1.033 1.00 0.00 C ATOM 899 C TYR A 75 3.726 -0.177 -0.261 1.00 0.00 C ATOM 900 O TYR A 75 4.908 -0.157 0.064 1.00 0.00 O ATOM 901 CB TYR A 75 2.109 -2.098 -0.206 1.00 0.00 C ATOM 902 CG TYR A 75 1.522 -3.321 -0.870 1.00 0.00 C ATOM 903 CD1 TYR A 75 0.564 -3.213 -1.869 1.00 0.00 C ATOM 904 CD2 TYR A 75 1.922 -4.582 -0.475 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.022 -4.338 -2.457 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.391 -5.717 -1.060 1.00 0.00 C ATOM 907 CZ TYR A 75 0.436 -5.587 -2.051 1.00 0.00 C ATOM 908 OH TYR A 75 -0.107 -6.707 -2.636 1.00 0.00 O ATOM 0 H TYR A 75 4.836 -2.535 -0.532 1.00 0.00 H new ATOM 0 HA TYR A 75 2.703 -1.033 -1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.547 -2.394 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.302 -1.399 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.238 -2.235 -2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.663 -4.684 0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.724 -4.239 -3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.720 -6.697 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.895 -6.453 -3.160 1.00 0.00 H new ATOM 918 N VAL A 76 2.897 0.819 0.024 1.00 0.00 N ATOM 919 CA VAL A 76 3.378 2.023 0.700 1.00 0.00 C ATOM 920 C VAL A 76 2.622 2.227 2.023 1.00 0.00 C ATOM 921 O VAL A 76 1.652 1.524 2.308 1.00 0.00 O ATOM 922 CB VAL A 76 3.247 3.274 -0.215 1.00 0.00 C ATOM 923 CG1 VAL A 76 4.066 4.445 0.315 1.00 0.00 C ATOM 924 CG2 VAL A 76 3.675 2.944 -1.638 1.00 0.00 C ATOM 0 H VAL A 76 1.901 0.821 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 76 4.437 1.890 0.922 1.00 0.00 H new ATOM 0 HB VAL A 76 2.197 3.568 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.950 5.301 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.717 4.711 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.118 4.162 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.576 3.832 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.714 2.614 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.042 2.150 -2.033 1.00 0.00 H new ATOM 934 N PHE A 77 3.090 3.165 2.838 1.00 0.00 N ATOM 935 CA PHE A 77 2.534 3.392 4.167 1.00 0.00 C ATOM 936 C PHE A 77 1.487 4.501 4.173 1.00 0.00 C ATOM 937 O PHE A 77 1.125 5.046 3.132 1.00 0.00 O ATOM 938 CB PHE A 77 3.653 3.744 5.147 1.00 0.00 C ATOM 939 CG PHE A 77 3.666 2.867 6.362 1.00 0.00 C ATOM 940 CD1 PHE A 77 3.505 1.503 6.230 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.827 3.404 7.628 1.00 0.00 C ATOM 942 CE1 PHE A 77 3.505 0.681 7.336 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.830 2.588 8.743 1.00 0.00 C ATOM 944 CZ PHE A 77 3.667 1.223 8.597 1.00 0.00 C ATOM 0 H PHE A 77 3.862 3.787 2.598 1.00 0.00 H new ATOM 0 HA PHE A 77 2.042 2.469 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.613 3.663 4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.543 4.783 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.377 1.074 5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.951 4.470 7.745 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.379 -0.385 7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.959 3.016 9.726 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.666 0.582 9.466 1.00 0.00 H new ATOM 1137 N THR A 90 7.793 1.656 2.862 1.00 0.00 N ATOM 1138 CA THR A 90 7.197 0.707 1.960 1.00 0.00 C ATOM 1139 C THR A 90 6.966 -0.623 2.644 1.00 0.00 C ATOM 1140 O THR A 90 7.763 -1.059 3.481 1.00 0.00 O ATOM 1141 CB THR A 90 8.081 0.499 0.727 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.459 0.358 1.108 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.922 1.663 -0.221 1.00 0.00 C ATOM 0 HA THR A 90 6.236 1.114 1.646 1.00 0.00 H new ATOM 0 HB THR A 90 7.768 -0.417 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.618 0.840 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.554 1.509 -1.096 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.881 1.738 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.217 2.584 0.281 1.00 0.00 H new ATOM 1151 N LEU A 91 5.863 -1.251 2.298 1.00 0.00 N ATOM 1152 CA LEU A 91 5.566 -2.575 2.787 1.00 0.00 C ATOM 1153 C LEU A 91 6.118 -3.590 1.809 1.00 0.00 C ATOM 1154 O LEU A 91 5.580 -3.780 0.717 1.00 0.00 O ATOM 1155 CB LEU A 91 4.065 -2.798 2.958 1.00 0.00 C ATOM 1156 CG LEU A 91 3.709 -4.112 3.646 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.989 -4.019 5.129 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.267 -4.514 3.417 1.00 0.00 C ATOM 0 H LEU A 91 5.155 -0.861 1.676 1.00 0.00 H new ATOM 0 HA LEU A 91 6.029 -2.689 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.649 -1.973 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.590 -2.773 1.977 1.00 0.00 H new ATOM 0 HG LEU A 91 4.336 -4.885 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.731 -4.963 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.047 -3.810 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.392 -3.217 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.066 -5.456 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.607 -3.740 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.088 -4.636 2.349 1.00 0.00 H new ATOM 1170 N THR A 92 7.201 -4.217 2.195 1.00 0.00 N ATOM 1171 CA THR A 92 7.850 -5.198 1.362 1.00 0.00 C ATOM 1172 C THR A 92 7.487 -6.576 1.858 1.00 0.00 C ATOM 1173 O THR A 92 7.997 -7.044 2.873 1.00 0.00 O ATOM 1174 CB THR A 92 9.374 -5.018 1.369 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.697 -3.663 1.028 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.028 -5.968 0.380 1.00 0.00 C ATOM 0 H THR A 92 7.657 -4.062 3.094 1.00 0.00 H new ATOM 0 HA THR A 92 7.509 -5.068 0.335 1.00 0.00 H new ATOM 0 HB THR A 92 9.751 -5.244 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.566 -3.638 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.109 -5.826 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.792 -6.997 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.653 -5.764 -0.623 1.00 0.00 H new ATOM 1184 N LEU A 93 6.579 -7.217 1.168 1.00 0.00 N ATOM 1185 CA LEU A 93 6.064 -8.468 1.651 1.00 0.00 C ATOM 1186 C LEU A 93 6.986 -9.604 1.253 1.00 0.00 C ATOM 1187 O LEU A 93 7.330 -9.755 0.079 1.00 0.00 O ATOM 1188 CB LEU A 93 4.648 -8.713 1.147 1.00 0.00 C ATOM 1189 CG LEU A 93 3.801 -9.490 2.115 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.585 -8.658 3.357 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.484 -9.871 1.504 1.00 0.00 C ATOM 0 H LEU A 93 6.187 -6.898 0.282 1.00 0.00 H new ATOM 0 HA LEU A 93 6.021 -8.422 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.170 -7.754 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.694 -9.252 0.201 1.00 0.00 H new ATOM 0 HG LEU A 93 4.319 -10.413 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.971 -9.214 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.548 -8.429 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.080 -7.730 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.895 -10.432 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.942 -8.970 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.657 -10.488 0.622 1.00 0.00 H new ATOM 1203 N THR A 94 7.405 -10.383 2.237 1.00 0.00 N ATOM 1204 CA THR A 94 8.337 -11.439 2.020 1.00 0.00 C ATOM 1205 C THR A 94 7.660 -12.805 2.121 1.00 0.00 C ATOM 1206 O THR A 94 7.086 -13.159 3.161 1.00 0.00 O ATOM 1207 CB THR A 94 9.475 -11.332 3.040 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.261 -10.159 2.783 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.332 -12.564 2.982 1.00 0.00 C ATOM 0 H THR A 94 7.098 -10.288 3.205 1.00 0.00 H new ATOM 0 HA THR A 94 8.741 -11.344 1.012 1.00 0.00 H new ATOM 0 HB THR A 94 9.050 -11.250 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.289 -9.601 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.139 -12.481 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.726 -13.440 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.754 -12.667 1.982 1.00 0.00 H new ATOM 1217 N PHE A 95 7.725 -13.551 1.028 1.00 0.00 N ATOM 1218 CA PHE A 95 7.189 -14.900 0.975 1.00 0.00 C ATOM 1219 C PHE A 95 8.326 -15.902 0.891 1.00 0.00 C ATOM 1220 O PHE A 95 9.375 -15.605 0.316 1.00 0.00 O ATOM 1221 CB PHE A 95 6.246 -15.077 -0.222 1.00 0.00 C ATOM 1222 CG PHE A 95 4.977 -14.289 -0.106 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.902 -14.816 0.575 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.857 -13.031 -0.673 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.728 -14.115 0.697 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.679 -12.320 -0.554 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.612 -12.869 0.135 1.00 0.00 C ATOM 0 H PHE A 95 8.150 -13.238 0.155 1.00 0.00 H new ATOM 0 HA PHE A 95 6.616 -15.075 1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.767 -14.779 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.000 -16.134 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.984 -15.797 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.690 -12.603 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.896 -14.544 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.591 -11.339 -0.997 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.689 -12.317 0.230 1.00 0.00 H new ATOM 1237 N ASN A 96 8.126 -17.074 1.468 1.00 0.00 N ATOM 1238 CA ASN A 96 9.176 -18.090 1.506 1.00 0.00 C ATOM 1239 C ASN A 96 9.419 -18.726 0.136 1.00 0.00 C ATOM 1240 O ASN A 96 10.290 -18.284 -0.617 1.00 0.00 O ATOM 1241 CB ASN A 96 8.870 -19.163 2.567 1.00 0.00 C ATOM 1242 CG ASN A 96 7.401 -19.557 2.651 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.672 -19.552 1.652 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.956 -19.882 3.856 1.00 0.00 N ATOM 0 H ASN A 96 7.252 -17.350 1.916 1.00 0.00 H new ATOM 0 HA ASN A 96 10.098 -17.582 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.461 -20.052 2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.193 -18.797 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.978 -20.141 3.986 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.591 -19.873 4.654 1.00 0.00 H new ATOM 1251 N SER A 97 8.668 -19.766 -0.178 1.00 0.00 N ATOM 1252 CA SER A 97 8.815 -20.464 -1.447 1.00 0.00 C ATOM 1253 C SER A 97 7.492 -21.078 -1.881 1.00 0.00 C ATOM 1254 O SER A 97 7.214 -21.201 -3.072 1.00 0.00 O ATOM 1255 CB SER A 97 9.887 -21.548 -1.332 1.00 0.00 C ATOM 1256 OG SER A 97 11.144 -20.980 -0.989 1.00 0.00 O ATOM 0 H SER A 97 7.945 -20.149 0.431 1.00 0.00 H new ATOM 0 HA SER A 97 9.122 -19.741 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.594 -22.277 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.971 -22.085 -2.277 1.00 0.00 H new ATOM 0 HG SER A 97 11.816 -21.690 -0.919 1.00 0.00 H new ATOM 1262 N SER A 98 6.668 -21.449 -0.910 1.00 0.00 N ATOM 1263 CA SER A 98 5.360 -22.007 -1.201 1.00 0.00 C ATOM 1264 C SER A 98 4.374 -20.876 -1.470 1.00 0.00 C ATOM 1265 O SER A 98 3.230 -21.102 -1.855 1.00 0.00 O ATOM 1266 CB SER A 98 4.886 -22.878 -0.027 1.00 0.00 C ATOM 1267 OG SER A 98 3.719 -23.614 -0.356 1.00 0.00 O ATOM 0 H SER A 98 6.884 -21.373 0.084 1.00 0.00 H new ATOM 0 HA SER A 98 5.421 -22.637 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.681 -23.566 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.685 -22.245 0.837 1.00 0.00 H new ATOM 0 HG SER A 98 3.213 -23.134 -1.044 1.00 0.00 H new ATOM 1273 N GLY A 99 4.843 -19.649 -1.269 1.00 0.00 N ATOM 1274 CA GLY A 99 4.001 -18.489 -1.462 1.00 0.00 C ATOM 1275 C GLY A 99 3.289 -18.138 -0.186 1.00 0.00 C ATOM 1276 O GLY A 99 2.181 -17.606 -0.194 1.00 0.00 O ATOM 0 H GLY A 99 5.797 -19.440 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.606 -17.644 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.273 -18.687 -2.249 1.00 0.00 H new ATOM 1280 N VAL A 100 3.943 -18.458 0.914 1.00 0.00 N ATOM 1281 CA VAL A 100 3.406 -18.233 2.239 1.00 0.00 C ATOM 1282 C VAL A 100 4.161 -17.091 2.905 1.00 0.00 C ATOM 1283 O VAL A 100 5.384 -16.996 2.779 1.00 0.00 O ATOM 1284 CB VAL A 100 3.548 -19.505 3.095 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.847 -19.351 4.438 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.026 -20.722 2.344 1.00 0.00 C ATOM 0 H VAL A 100 4.869 -18.885 0.911 1.00 0.00 H new ATOM 0 HA VAL A 100 2.350 -17.978 2.153 1.00 0.00 H new ATOM 0 HB VAL A 100 4.609 -19.656 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.966 -20.266 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.286 -18.516 4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.786 -19.160 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.136 -21.609 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.973 -20.577 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.595 -20.853 1.423 1.00 0.00 H new ATOM 1296 N LEU A 101 3.429 -16.206 3.570 1.00 0.00 N ATOM 1297 CA LEU A 101 4.027 -15.084 4.262 1.00 0.00 C ATOM 1298 C LEU A 101 4.971 -15.521 5.355 1.00 0.00 C ATOM 1299 O LEU A 101 4.634 -16.358 6.191 1.00 0.00 O ATOM 1300 CB LEU A 101 2.948 -14.204 4.857 1.00 0.00 C ATOM 1301 CG LEU A 101 2.549 -13.039 3.982 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.474 -12.223 4.659 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.754 -12.178 3.685 1.00 0.00 C ATOM 0 H LEU A 101 2.412 -16.249 3.642 1.00 0.00 H new ATOM 0 HA LEU A 101 4.604 -14.526 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.066 -14.813 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.295 -13.821 5.817 1.00 0.00 H new ATOM 0 HG LEU A 101 2.153 -13.423 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.195 -11.386 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.600 -12.850 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.850 -11.843 5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.456 -11.341 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.169 -11.799 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.507 -12.772 3.168 1.00 0.00 H new ATOM 1315 N THR A 102 6.151 -14.937 5.338 1.00 0.00 N ATOM 1316 CA THR A 102 7.133 -15.173 6.378 1.00 0.00 C ATOM 1317 C THR A 102 7.374 -13.901 7.166 1.00 0.00 C ATOM 1318 O THR A 102 7.558 -13.931 8.385 1.00 0.00 O ATOM 1319 CB THR A 102 8.467 -15.668 5.793 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.200 -14.576 5.221 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.201 -16.684 4.712 1.00 0.00 C ATOM 0 H THR A 102 6.456 -14.291 4.610 1.00 0.00 H new ATOM 0 HA THR A 102 6.736 -15.947 7.035 1.00 0.00 H new ATOM 0 HB THR A 102 9.050 -16.116 6.598 1.00 0.00 H new ATOM 0 HG1 THR A 102 10.047 -14.907 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.148 -17.033 4.300 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.655 -17.529 5.133 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.607 -16.226 3.921 1.00 0.00 H new ATOM 1329 N ASN A 103 7.364 -12.777 6.463 1.00 0.00 N ATOM 1330 CA ASN A 103 7.564 -11.492 7.115 1.00 0.00 C ATOM 1331 C ASN A 103 6.835 -10.375 6.387 1.00 0.00 C ATOM 1332 O ASN A 103 6.598 -10.447 5.179 1.00 0.00 O ATOM 1333 CB ASN A 103 9.053 -11.150 7.188 1.00 0.00 C ATOM 1334 CG ASN A 103 9.325 -9.953 8.080 1.00 0.00 C ATOM 1335 OD1 ASN A 103 8.641 -9.739 9.083 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.305 -9.153 7.708 1.00 0.00 N ATOM 0 H ASN A 103 7.221 -12.729 5.454 1.00 0.00 H new ATOM 0 HA ASN A 103 7.156 -11.578 8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.604 -12.013 7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.426 -10.945 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.521 -8.321 8.257 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.847 -9.366 6.871 1.00 0.00 H new ATOM 1343 N ILE A 104 6.485 -9.348 7.138 1.00 0.00 N ATOM 1344 CA ILE A 104 5.907 -8.143 6.578 1.00 0.00 C ATOM 1345 C ILE A 104 6.910 -7.010 6.775 1.00 0.00 C ATOM 1346 O ILE A 104 6.931 -6.378 7.834 1.00 0.00 O ATOM 1347 CB ILE A 104 4.591 -7.744 7.290 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.778 -8.970 7.741 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.751 -6.841 6.397 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.140 -9.771 6.628 1.00 0.00 C ATOM 0 H ILE A 104 6.593 -9.326 8.152 1.00 0.00 H new ATOM 0 HA ILE A 104 5.685 -8.325 5.527 1.00 0.00 H new ATOM 0 HB ILE A 104 4.866 -7.193 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.433 -9.629 8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.994 -8.635 8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.831 -6.572 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.313 -5.937 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.507 -7.367 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.591 -10.612 7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.453 -9.135 6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.915 -10.145 5.958 1.00 0.00 H new ATOM 1362 N ASP A 105 7.746 -6.760 5.777 1.00 0.00 N ATOM 1363 CA ASP A 105 8.817 -5.782 5.914 1.00 0.00 C ATOM 1364 C ASP A 105 8.304 -4.365 5.718 1.00 0.00 C ATOM 1365 O ASP A 105 8.193 -3.890 4.594 1.00 0.00 O ATOM 1366 CB ASP A 105 9.929 -6.053 4.899 1.00 0.00 C ATOM 1367 CG ASP A 105 10.846 -7.190 5.293 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.797 -6.949 6.066 1.00 0.00 O ATOM 1369 OD2 ASP A 105 10.639 -8.327 4.813 1.00 0.00 O ATOM 0 H ASP A 105 7.704 -7.219 4.867 1.00 0.00 H new ATOM 0 HA ASP A 105 9.212 -5.878 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.479 -6.279 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.522 -5.147 4.772 1.00 0.00 H new ATOM 1374 N ASN A 106 8.009 -3.682 6.809 1.00 0.00 N ATOM 1375 CA ASN A 106 7.601 -2.296 6.740 1.00 0.00 C ATOM 1376 C ASN A 106 8.725 -1.400 7.235 1.00 0.00 C ATOM 1377 O ASN A 106 9.006 -1.310 8.429 1.00 0.00 O ATOM 1378 CB ASN A 106 6.300 -2.062 7.518 1.00 0.00 C ATOM 1379 CG ASN A 106 6.322 -2.615 8.933 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.671 -1.917 9.882 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.944 -3.874 9.082 1.00 0.00 N ATOM 0 H ASN A 106 8.045 -4.067 7.753 1.00 0.00 H new ATOM 0 HA ASN A 106 7.396 -2.041 5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.101 -0.991 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.474 -2.519 6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.935 -4.298 10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.661 -4.421 8.269 1.00 0.00 H new ATOM 1388 N LYS A 107 9.386 -0.769 6.288 1.00 0.00 N ATOM 1389 CA LYS A 107 10.534 0.073 6.564 1.00 0.00 C ATOM 1390 C LYS A 107 10.561 1.231 5.564 1.00 0.00 C ATOM 1391 O LYS A 107 9.890 1.169 4.539 1.00 0.00 O ATOM 1392 CB LYS A 107 11.819 -0.758 6.457 1.00 0.00 C ATOM 1393 CG LYS A 107 12.260 -1.020 5.033 1.00 0.00 C ATOM 1394 CD LYS A 107 11.344 -2.003 4.324 1.00 0.00 C ATOM 1395 CE LYS A 107 11.807 -2.267 2.904 1.00 0.00 C ATOM 1396 NZ LYS A 107 11.735 -1.053 2.050 1.00 0.00 N ATOM 0 H LYS A 107 9.142 -0.825 5.299 1.00 0.00 H new ATOM 0 HA LYS A 107 10.464 0.477 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.620 -0.242 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.667 -1.712 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.280 -0.080 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.278 -1.410 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.315 -2.941 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.328 -1.610 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.833 -2.635 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.193 -3.054 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.045 -1.288 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.755 -0.705 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.354 -0.315 2.443 1.00 0.00 H new