USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= -1.46 (180deg=-2.15) USER MOD Single : A 97 ASN : amide:sc= -4.14! C(o=-4.1!,f=-6.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0047 USER MOD Single : A 107 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.075) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -19:sc= 0.345 USER MOD Single : A 111 ASN : amide:sc= -1.93! C(o=-1.9!,f=-3.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -143:sc= -0.491 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 137 ASN : amide:sc= -1.03 K(o=-1,f=-3.2) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.171 F(o=-0.79,f=-0.17) USER MOD Single : A 144 MET CE :methyl -146:sc= -1.16 (180deg=-3.66!) USER MOD Single : A 145 MET CE :methyl -154:sc= 0 (180deg=-0.579) USER MOD Single : A 146 THR OG1 : rot 87:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 4.970 -11.768 -8.405 1.00 0.00 N ATOM 382 CA GLU A 82 3.901 -11.170 -9.194 1.00 0.00 C ATOM 383 C GLU A 82 2.596 -11.931 -8.995 1.00 0.00 C ATOM 384 O GLU A 82 1.515 -11.341 -9.015 1.00 0.00 O ATOM 385 CB GLU A 82 4.278 -11.180 -10.678 1.00 0.00 C ATOM 386 CG GLU A 82 3.184 -10.484 -11.493 1.00 0.00 C ATOM 387 CD GLU A 82 3.589 -10.414 -12.960 1.00 0.00 C ATOM 388 OE1 GLU A 82 4.563 -11.059 -13.316 1.00 0.00 O ATOM 389 OE2 GLU A 82 2.918 -9.723 -13.707 1.00 0.00 O ATOM 0 HA GLU A 82 3.762 -10.142 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.232 -10.673 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.406 -12.206 -11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.244 -11.027 -11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.015 -9.479 -11.106 1.00 0.00 H new ATOM 396 N GLU A 83 2.700 -13.242 -8.812 1.00 0.00 N ATOM 397 CA GLU A 83 1.517 -14.073 -8.618 1.00 0.00 C ATOM 398 C GLU A 83 0.807 -13.706 -7.319 1.00 0.00 C ATOM 399 O GLU A 83 -0.423 -13.689 -7.258 1.00 0.00 O ATOM 400 CB GLU A 83 1.923 -15.548 -8.582 1.00 0.00 C ATOM 401 CG GLU A 83 2.476 -15.964 -9.946 1.00 0.00 C ATOM 402 CD GLU A 83 1.366 -15.948 -10.990 1.00 0.00 C ATOM 403 OE1 GLU A 83 0.335 -16.548 -10.736 1.00 0.00 O ATOM 404 OE2 GLU A 83 1.561 -15.335 -12.026 1.00 0.00 O ATOM 0 H GLU A 83 3.584 -13.750 -8.794 1.00 0.00 H new ATOM 0 HA GLU A 83 0.833 -13.901 -9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.675 -15.709 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.063 -16.166 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.276 -15.286 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.911 -16.962 -9.882 1.00 0.00 H new ATOM 411 N GLU A 84 1.587 -13.412 -6.286 1.00 0.00 N ATOM 412 CA GLU A 84 1.022 -13.044 -4.995 1.00 0.00 C ATOM 413 C GLU A 84 0.227 -11.750 -5.103 1.00 0.00 C ATOM 414 O GLU A 84 -0.764 -11.558 -4.399 1.00 0.00 O ATOM 415 CB GLU A 84 2.136 -12.878 -3.959 1.00 0.00 C ATOM 416 CG GLU A 84 2.694 -14.252 -3.580 1.00 0.00 C ATOM 417 CD GLU A 84 3.776 -14.098 -2.516 1.00 0.00 C ATOM 418 OE1 GLU A 84 3.955 -12.990 -2.036 1.00 0.00 O ATOM 419 OE2 GLU A 84 4.411 -15.089 -2.198 1.00 0.00 O ATOM 0 H GLU A 84 2.606 -13.421 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 84 0.351 -13.842 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.931 -12.250 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.750 -12.374 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.892 -14.889 -3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.106 -14.743 -4.462 1.00 0.00 H new ATOM 426 N ILE A 85 0.665 -10.864 -5.990 1.00 0.00 N ATOM 427 CA ILE A 85 -0.016 -9.591 -6.179 1.00 0.00 C ATOM 428 C ILE A 85 -1.455 -9.818 -6.632 1.00 0.00 C ATOM 429 O ILE A 85 -2.381 -9.196 -6.114 1.00 0.00 O ATOM 430 CB ILE A 85 0.725 -8.750 -7.224 1.00 0.00 C ATOM 431 CG1 ILE A 85 2.188 -8.585 -6.799 1.00 0.00 C ATOM 432 CG2 ILE A 85 0.068 -7.372 -7.341 1.00 0.00 C ATOM 433 CD1 ILE A 85 2.948 -7.791 -7.865 1.00 0.00 C ATOM 0 H ILE A 85 1.482 -11.003 -6.585 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.025 -9.059 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 85 0.679 -9.252 -8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.242 -8.070 -5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.650 -9.563 -6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.599 -6.778 -8.085 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.972 -7.489 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.109 -6.866 -6.376 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.988 -7.675 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.906 -8.324 -8.815 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.492 -6.808 -7.980 1.00 0.00 H new ATOM 445 N ARG A 86 -1.635 -10.708 -7.601 1.00 0.00 N ATOM 446 CA ARG A 86 -2.968 -11.000 -8.115 1.00 0.00 C ATOM 447 C ARG A 86 -3.872 -11.503 -6.993 1.00 0.00 C ATOM 448 O ARG A 86 -5.016 -11.070 -6.863 1.00 0.00 O ATOM 449 CB ARG A 86 -2.879 -12.060 -9.213 1.00 0.00 C ATOM 450 CG ARG A 86 -4.268 -12.296 -9.808 1.00 0.00 C ATOM 451 CD ARG A 86 -4.153 -13.237 -11.009 1.00 0.00 C ATOM 452 NE ARG A 86 -3.301 -12.642 -12.032 1.00 0.00 N ATOM 453 CZ ARG A 86 -2.921 -13.336 -13.099 1.00 0.00 C ATOM 454 NH1 ARG A 86 -3.228 -14.600 -13.198 1.00 0.00 N ATOM 455 NH2 ARG A 86 -2.240 -12.754 -14.048 1.00 0.00 N ATOM 0 H ARG A 86 -0.882 -11.236 -8.043 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.391 -10.084 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.189 -11.735 -9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.484 -12.990 -8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.929 -12.727 -9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.710 -11.348 -10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.740 -14.195 -10.692 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.142 -13.437 -11.420 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.991 -11.676 -11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.760 -15.055 -12.456 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.936 -15.133 -14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.999 -11.766 -13.971 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.948 -13.287 -14.867 1.00 0.00 H new ATOM 469 N GLU A 87 -3.345 -12.410 -6.178 1.00 0.00 N ATOM 470 CA GLU A 87 -4.106 -12.956 -5.061 1.00 0.00 C ATOM 471 C GLU A 87 -4.356 -11.882 -4.007 1.00 0.00 C ATOM 472 O GLU A 87 -5.414 -11.845 -3.382 1.00 0.00 O ATOM 473 CB GLU A 87 -3.351 -14.128 -4.434 1.00 0.00 C ATOM 474 CG GLU A 87 -3.337 -15.307 -5.409 1.00 0.00 C ATOM 475 CD GLU A 87 -2.490 -16.441 -4.841 1.00 0.00 C ATOM 476 OE1 GLU A 87 -1.916 -16.252 -3.781 1.00 0.00 O ATOM 477 OE2 GLU A 87 -2.432 -17.484 -5.472 1.00 0.00 O ATOM 0 H GLU A 87 -2.399 -12.781 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.066 -13.308 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.331 -13.830 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.827 -14.422 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.354 -15.655 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.936 -14.989 -6.372 1.00 0.00 H new ATOM 484 N ALA A 88 -3.371 -11.012 -3.810 1.00 0.00 N ATOM 485 CA ALA A 88 -3.494 -9.950 -2.821 1.00 0.00 C ATOM 486 C ALA A 88 -4.708 -9.077 -3.127 1.00 0.00 C ATOM 487 O ALA A 88 -5.484 -8.745 -2.234 1.00 0.00 O ATOM 488 CB ALA A 88 -2.232 -9.086 -2.826 1.00 0.00 C ATOM 0 H ALA A 88 -2.486 -11.021 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.621 -10.404 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.331 -8.294 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.367 -9.704 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.098 -8.644 -3.813 1.00 0.00 H new ATOM 494 N PHE A 89 -4.862 -8.705 -4.392 1.00 0.00 N ATOM 495 CA PHE A 89 -5.981 -7.863 -4.798 1.00 0.00 C ATOM 496 C PHE A 89 -7.303 -8.515 -4.404 1.00 0.00 C ATOM 497 O PHE A 89 -8.203 -7.850 -3.892 1.00 0.00 O ATOM 498 CB PHE A 89 -5.949 -7.654 -6.314 1.00 0.00 C ATOM 499 CG PHE A 89 -6.944 -6.584 -6.697 1.00 0.00 C ATOM 500 CD1 PHE A 89 -6.543 -5.242 -6.733 1.00 0.00 C ATOM 501 CD2 PHE A 89 -8.263 -6.930 -7.014 1.00 0.00 C ATOM 502 CE1 PHE A 89 -7.462 -4.246 -7.087 1.00 0.00 C ATOM 503 CE2 PHE A 89 -9.182 -5.934 -7.367 1.00 0.00 C ATOM 504 CZ PHE A 89 -8.781 -4.592 -7.404 1.00 0.00 C ATOM 0 H PHE A 89 -4.232 -8.970 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.894 -6.900 -4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.947 -7.364 -6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.187 -8.587 -6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.525 -4.976 -6.488 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.572 -7.965 -6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.153 -3.211 -7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.200 -6.200 -7.611 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.490 -3.824 -7.677 1.00 0.00 H new ATOM 514 N ARG A 90 -7.416 -9.817 -4.647 1.00 0.00 N ATOM 515 CA ARG A 90 -8.640 -10.541 -4.314 1.00 0.00 C ATOM 516 C ARG A 90 -8.975 -10.360 -2.834 1.00 0.00 C ATOM 517 O ARG A 90 -10.125 -10.103 -2.478 1.00 0.00 O ATOM 518 CB ARG A 90 -8.458 -12.030 -4.621 1.00 0.00 C ATOM 519 CG ARG A 90 -8.413 -12.236 -6.136 1.00 0.00 C ATOM 520 CD ARG A 90 -8.171 -13.714 -6.444 1.00 0.00 C ATOM 521 NE ARG A 90 -8.093 -13.922 -7.885 1.00 0.00 N ATOM 522 CZ ARG A 90 -8.116 -15.145 -8.406 1.00 0.00 C ATOM 523 NH1 ARG A 90 -8.853 -16.073 -7.859 1.00 0.00 N ATOM 524 NH2 ARG A 90 -7.400 -15.418 -9.463 1.00 0.00 N ATOM 0 H ARG A 90 -6.684 -10.388 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.459 -10.143 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.538 -12.396 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.278 -12.604 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.350 -11.909 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.621 -11.628 -6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.246 -14.045 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.977 -14.317 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.019 -13.115 -8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.411 -15.860 -7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.871 -17.011 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.823 -14.693 -9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.418 -16.356 -9.863 1.00 0.00 H new ATOM 538 N VAL A 91 -7.967 -10.492 -1.981 1.00 0.00 N ATOM 539 CA VAL A 91 -8.164 -10.332 -0.542 1.00 0.00 C ATOM 540 C VAL A 91 -8.532 -8.887 -0.212 1.00 0.00 C ATOM 541 O VAL A 91 -9.408 -8.628 0.612 1.00 0.00 O ATOM 542 CB VAL A 91 -6.896 -10.733 0.210 1.00 0.00 C ATOM 543 CG1 VAL A 91 -7.081 -10.462 1.704 1.00 0.00 C ATOM 544 CG2 VAL A 91 -6.627 -12.224 -0.007 1.00 0.00 C ATOM 0 H VAL A 91 -7.009 -10.708 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.982 -10.981 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.053 -10.152 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.176 -10.748 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.275 -9.401 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.924 -11.044 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.723 -12.512 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.471 -12.804 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.496 -12.419 -1.071 1.00 0.00 H new ATOM 554 N GLU A 92 -7.848 -7.954 -0.860 1.00 0.00 N ATOM 555 CA GLU A 92 -8.092 -6.534 -0.640 1.00 0.00 C ATOM 556 C GLU A 92 -9.411 -6.117 -1.276 1.00 0.00 C ATOM 557 O GLU A 92 -9.684 -4.926 -1.428 1.00 0.00 O ATOM 558 CB GLU A 92 -6.949 -5.697 -1.223 1.00 0.00 C ATOM 559 CG GLU A 92 -5.643 -6.039 -0.502 1.00 0.00 C ATOM 560 CD GLU A 92 -5.735 -5.656 0.971 1.00 0.00 C ATOM 561 OE1 GLU A 92 -6.587 -4.846 1.299 1.00 0.00 O ATOM 562 OE2 GLU A 92 -4.961 -6.186 1.750 1.00 0.00 O ATOM 0 H GLU A 92 -7.118 -8.155 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.145 -6.360 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.849 -5.893 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.170 -4.635 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.437 -7.105 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.812 -5.512 -0.971 1.00 0.00 H new ATOM 569 N ASP A 93 -10.226 -7.102 -1.649 1.00 0.00 N ATOM 570 CA ASP A 93 -11.517 -6.830 -2.265 1.00 0.00 C ATOM 571 C ASP A 93 -12.520 -7.937 -1.930 1.00 0.00 C ATOM 572 O ASP A 93 -12.981 -8.661 -2.809 1.00 0.00 O ATOM 573 CB ASP A 93 -11.338 -6.722 -3.783 1.00 0.00 C ATOM 574 CG ASP A 93 -10.979 -5.290 -4.173 1.00 0.00 C ATOM 575 OD1 ASP A 93 -11.800 -4.409 -3.943 1.00 0.00 O ATOM 576 OD2 ASP A 93 -9.893 -5.097 -4.696 1.00 0.00 O ATOM 0 H ASP A 93 -10.013 -8.093 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.907 -5.890 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.554 -7.404 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.256 -7.024 -4.287 1.00 0.00 H new ATOM 581 N LYS A 94 -12.861 -8.051 -0.658 1.00 0.00 N ATOM 582 CA LYS A 94 -13.819 -9.057 -0.218 1.00 0.00 C ATOM 583 C LYS A 94 -15.155 -8.873 -0.933 1.00 0.00 C ATOM 584 O LYS A 94 -15.876 -9.838 -1.183 1.00 0.00 O ATOM 585 CB LYS A 94 -14.024 -8.965 1.291 1.00 0.00 C ATOM 586 CG LYS A 94 -14.674 -7.624 1.636 1.00 0.00 C ATOM 587 CD LYS A 94 -14.678 -7.439 3.155 1.00 0.00 C ATOM 588 CE LYS A 94 -15.458 -8.579 3.815 1.00 0.00 C ATOM 589 NZ LYS A 94 -16.635 -8.932 2.973 1.00 0.00 N ATOM 0 H LYS A 94 -12.491 -7.462 0.088 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.421 -10.041 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.654 -9.786 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -13.068 -9.061 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.128 -6.809 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.693 -7.592 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.655 -7.421 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.129 -6.481 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.814 -9.449 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.787 -8.280 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.349 -9.411 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.044 -8.066 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.335 -9.566 2.205 1.00 0.00 H new ATOM 603 N ASP A 95 -15.482 -7.624 -1.248 1.00 0.00 N ATOM 604 CA ASP A 95 -16.741 -7.321 -1.919 1.00 0.00 C ATOM 605 C ASP A 95 -16.649 -7.650 -3.406 1.00 0.00 C ATOM 606 O ASP A 95 -17.616 -7.485 -4.150 1.00 0.00 O ATOM 607 CB ASP A 95 -17.073 -5.833 -1.753 1.00 0.00 C ATOM 608 CG ASP A 95 -15.919 -4.978 -2.283 1.00 0.00 C ATOM 609 OD1 ASP A 95 -15.042 -5.537 -2.918 1.00 0.00 O ATOM 610 OD2 ASP A 95 -15.927 -3.778 -2.048 1.00 0.00 O ATOM 0 H ASP A 95 -14.898 -6.811 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 95 -17.526 -7.928 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -17.991 -5.594 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.252 -5.607 -0.702 1.00 0.00 H new ATOM 615 N GLY A 96 -15.479 -8.119 -3.833 1.00 0.00 N ATOM 616 CA GLY A 96 -15.272 -8.469 -5.234 1.00 0.00 C ATOM 617 C GLY A 96 -15.378 -7.232 -6.122 1.00 0.00 C ATOM 618 O GLY A 96 -15.794 -7.317 -7.273 1.00 0.00 O ATOM 0 H GLY A 96 -14.666 -8.264 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.291 -8.928 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.011 -9.208 -5.542 1.00 0.00 H new ATOM 622 N ASN A 97 -14.999 -6.081 -5.575 1.00 0.00 N ATOM 623 CA ASN A 97 -15.051 -4.832 -6.310 1.00 0.00 C ATOM 624 C ASN A 97 -13.748 -4.604 -7.063 1.00 0.00 C ATOM 625 O ASN A 97 -12.683 -4.457 -6.465 1.00 0.00 O ATOM 626 CB ASN A 97 -15.299 -3.672 -5.345 1.00 0.00 C ATOM 627 CG ASN A 97 -15.212 -2.345 -6.085 1.00 0.00 C ATOM 628 OD1 ASN A 97 -14.722 -1.360 -5.527 1.00 0.00 O ATOM 629 ND2 ASN A 97 -15.655 -2.263 -7.312 1.00 0.00 N ATOM 0 H ASN A 97 -14.652 -5.993 -4.620 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.868 -4.885 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.281 -3.776 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.565 -3.696 -4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.597 -1.379 -7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.058 -3.083 -7.764 1.00 0.00 H new ATOM 636 N GLY A 98 -13.850 -4.558 -8.377 1.00 0.00 N ATOM 637 CA GLY A 98 -12.680 -4.329 -9.227 1.00 0.00 C ATOM 638 C GLY A 98 -11.926 -3.072 -8.794 1.00 0.00 C ATOM 639 O GLY A 98 -10.898 -2.728 -9.373 1.00 0.00 O ATOM 0 H GLY A 98 -14.726 -4.675 -8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.015 -5.191 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.995 -4.229 -10.266 1.00 0.00 H new ATOM 643 N TYR A 99 -12.434 -2.401 -7.761 1.00 0.00 N ATOM 644 CA TYR A 99 -11.799 -1.193 -7.242 1.00 0.00 C ATOM 645 C TYR A 99 -11.632 -1.299 -5.732 1.00 0.00 C ATOM 646 O TYR A 99 -12.422 -1.955 -5.055 1.00 0.00 O ATOM 647 CB TYR A 99 -12.646 0.030 -7.584 1.00 0.00 C ATOM 648 CG TYR A 99 -12.759 0.157 -9.084 1.00 0.00 C ATOM 649 CD1 TYR A 99 -11.683 0.654 -9.826 1.00 0.00 C ATOM 650 CD2 TYR A 99 -13.941 -0.222 -9.734 1.00 0.00 C ATOM 651 CE1 TYR A 99 -11.787 0.773 -11.217 1.00 0.00 C ATOM 652 CE2 TYR A 99 -14.045 -0.102 -11.124 1.00 0.00 C ATOM 653 CZ TYR A 99 -12.969 0.395 -11.865 1.00 0.00 C ATOM 654 OH TYR A 99 -13.071 0.515 -13.236 1.00 0.00 O ATOM 0 H TYR A 99 -13.284 -2.675 -7.268 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.817 -1.086 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.637 -0.064 -7.140 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.193 0.929 -7.165 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.771 0.946 -9.326 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -14.772 -0.607 -9.162 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.956 1.156 -11.790 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -14.957 -0.393 -11.624 1.00 0.00 H new ATOM 0 HH TYR A 99 -13.955 0.208 -13.526 1.00 0.00 H new ATOM 664 N ILE A 100 -10.591 -0.653 -5.214 1.00 0.00 N ATOM 665 CA ILE A 100 -10.314 -0.683 -3.777 1.00 0.00 C ATOM 666 C ILE A 100 -10.652 0.660 -3.145 1.00 0.00 C ATOM 667 O ILE A 100 -10.190 1.706 -3.597 1.00 0.00 O ATOM 668 CB ILE A 100 -8.837 -0.998 -3.539 1.00 0.00 C ATOM 669 CG1 ILE A 100 -8.486 -2.323 -4.222 1.00 0.00 C ATOM 670 CG2 ILE A 100 -8.577 -1.119 -2.037 1.00 0.00 C ATOM 671 CD1 ILE A 100 -6.975 -2.548 -4.152 1.00 0.00 C ATOM 0 H ILE A 100 -9.928 -0.105 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.931 -1.457 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.223 -0.198 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.010 -3.145 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.814 -2.307 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.524 -1.344 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.831 -0.179 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.190 -1.921 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.725 -3.491 -4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.462 -1.731 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.660 -2.583 -3.109 1.00 0.00 H new ATOM 683 N SER A 101 -11.463 0.622 -2.091 1.00 0.00 N ATOM 684 CA SER A 101 -11.863 1.842 -1.389 1.00 0.00 C ATOM 685 C SER A 101 -11.052 2.008 -0.107 1.00 0.00 C ATOM 686 O SER A 101 -10.207 1.174 0.219 1.00 0.00 O ATOM 687 CB SER A 101 -13.352 1.785 -1.052 1.00 0.00 C ATOM 688 OG SER A 101 -13.661 0.519 -0.485 1.00 0.00 O ATOM 0 H SER A 101 -11.856 -0.236 -1.704 1.00 0.00 H new ATOM 0 HA SER A 101 -11.673 2.696 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.608 2.581 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.946 1.947 -1.951 1.00 0.00 H new ATOM 0 HG SER A 101 -14.616 0.482 -0.267 1.00 0.00 H new ATOM 694 N ALA A 102 -11.316 3.091 0.615 1.00 0.00 N ATOM 695 CA ALA A 102 -10.606 3.359 1.860 1.00 0.00 C ATOM 696 C ALA A 102 -10.824 2.226 2.861 1.00 0.00 C ATOM 697 O ALA A 102 -9.884 1.764 3.504 1.00 0.00 O ATOM 698 CB ALA A 102 -11.097 4.676 2.466 1.00 0.00 C ATOM 0 H ALA A 102 -12.011 3.793 0.362 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.541 3.432 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.563 4.870 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.913 5.490 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.166 4.607 2.669 1.00 0.00 H new ATOM 704 N ALA A 103 -12.071 1.788 2.991 1.00 0.00 N ATOM 705 CA ALA A 103 -12.404 0.721 3.927 1.00 0.00 C ATOM 706 C ALA A 103 -11.501 -0.484 3.692 1.00 0.00 C ATOM 707 O ALA A 103 -10.929 -1.033 4.632 1.00 0.00 O ATOM 708 CB ALA A 103 -13.867 0.307 3.743 1.00 0.00 C ATOM 0 H ALA A 103 -12.864 2.153 2.463 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.255 1.086 4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.110 -0.491 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.514 1.164 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.019 -0.048 2.724 1.00 0.00 H new ATOM 714 N GLU A 104 -11.358 -0.876 2.433 1.00 0.00 N ATOM 715 CA GLU A 104 -10.501 -2.004 2.087 1.00 0.00 C ATOM 716 C GLU A 104 -9.038 -1.625 2.281 1.00 0.00 C ATOM 717 O GLU A 104 -8.212 -2.457 2.651 1.00 0.00 O ATOM 718 CB GLU A 104 -10.751 -2.428 0.636 1.00 0.00 C ATOM 719 CG GLU A 104 -12.029 -3.269 0.563 1.00 0.00 C ATOM 720 CD GLU A 104 -12.526 -3.340 -0.875 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.769 -2.976 -1.758 1.00 0.00 O ATOM 722 OE2 GLU A 104 -13.655 -3.754 -1.071 1.00 0.00 O ATOM 0 H GLU A 104 -11.820 -0.434 1.639 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.736 -2.843 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.845 -1.548 -0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.903 -3.002 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.835 -4.273 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.798 -2.833 1.201 1.00 0.00 H new ATOM 729 N LEU A 105 -8.718 -0.371 2.015 1.00 0.00 N ATOM 730 CA LEU A 105 -7.351 0.095 2.158 1.00 0.00 C ATOM 731 C LEU A 105 -6.899 -0.020 3.613 1.00 0.00 C ATOM 732 O LEU A 105 -5.728 -0.278 3.901 1.00 0.00 O ATOM 733 CB LEU A 105 -7.245 1.566 1.690 1.00 0.00 C ATOM 734 CG LEU A 105 -5.869 1.814 1.046 1.00 0.00 C ATOM 735 CD1 LEU A 105 -4.757 1.453 2.045 1.00 0.00 C ATOM 736 CD2 LEU A 105 -5.728 0.954 -0.238 1.00 0.00 C ATOM 0 H LEU A 105 -9.381 0.338 1.701 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.703 -0.527 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.036 1.787 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.386 2.237 2.537 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.780 2.867 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.784 1.630 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.855 2.071 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.843 0.402 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.753 1.133 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.821 -0.101 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.511 1.226 -0.946 1.00 0.00 H new ATOM 748 N ARG A 106 -7.834 0.157 4.521 1.00 0.00 N ATOM 749 CA ARG A 106 -7.519 0.070 5.942 1.00 0.00 C ATOM 750 C ARG A 106 -7.060 -1.341 6.309 1.00 0.00 C ATOM 751 O ARG A 106 -6.201 -1.530 7.170 1.00 0.00 O ATOM 752 CB ARG A 106 -8.745 0.450 6.771 1.00 0.00 C ATOM 753 CG ARG A 106 -8.376 0.459 8.256 1.00 0.00 C ATOM 754 CD ARG A 106 -9.589 0.891 9.079 1.00 0.00 C ATOM 755 NE ARG A 106 -9.211 1.069 10.476 1.00 0.00 N ATOM 756 CZ ARG A 106 -10.131 1.205 11.426 1.00 0.00 C ATOM 757 NH1 ARG A 106 -11.354 0.804 11.211 1.00 0.00 N ATOM 758 NH2 ARG A 106 -9.812 1.740 12.573 1.00 0.00 N ATOM 0 H ARG A 106 -8.811 0.360 4.310 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.708 0.765 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.110 1.432 6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.553 -0.259 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.047 -0.533 8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.543 1.140 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.994 1.822 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.377 0.142 9.000 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.223 1.090 10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.604 0.386 10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.060 0.908 11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.856 2.054 12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.518 1.844 13.301 1.00 0.00 H new ATOM 772 N HIS A 107 -7.657 -2.329 5.657 1.00 0.00 N ATOM 773 CA HIS A 107 -7.321 -3.727 5.930 1.00 0.00 C ATOM 774 C HIS A 107 -5.816 -3.939 5.781 1.00 0.00 C ATOM 775 O HIS A 107 -5.197 -4.651 6.569 1.00 0.00 O ATOM 776 CB HIS A 107 -8.065 -4.650 4.966 1.00 0.00 C ATOM 777 CG HIS A 107 -9.540 -4.582 5.248 1.00 0.00 C ATOM 778 ND1 HIS A 107 -10.438 -5.487 4.707 1.00 0.00 N ATOM 779 CD2 HIS A 107 -10.291 -3.720 6.009 1.00 0.00 C ATOM 780 CE1 HIS A 107 -11.666 -5.153 5.145 1.00 0.00 C ATOM 781 NE2 HIS A 107 -11.632 -4.081 5.943 1.00 0.00 N ATOM 0 H HIS A 107 -8.371 -2.195 4.941 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.621 -3.964 6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -7.866 -4.354 3.936 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.709 -5.674 5.078 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.899 -2.887 6.574 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.568 -5.686 4.884 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.420 -3.626 6.404 1.00 0.00 H new ATOM 789 N VAL A 108 -5.229 -3.318 4.771 1.00 0.00 N ATOM 790 CA VAL A 108 -3.796 -3.450 4.543 1.00 0.00 C ATOM 791 C VAL A 108 -3.019 -2.949 5.760 1.00 0.00 C ATOM 792 O VAL A 108 -2.068 -3.587 6.201 1.00 0.00 O ATOM 793 CB VAL A 108 -3.389 -2.635 3.312 1.00 0.00 C ATOM 794 CG1 VAL A 108 -1.865 -2.647 3.165 1.00 0.00 C ATOM 795 CG2 VAL A 108 -4.022 -3.252 2.066 1.00 0.00 C ATOM 0 H VAL A 108 -5.715 -2.723 4.101 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.564 -4.502 4.378 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.732 -1.607 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.579 -2.066 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.410 -2.210 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.519 -3.674 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.734 -2.674 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.677 -4.280 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.107 -3.243 2.167 1.00 0.00 H new ATOM 805 N MET A 109 -3.425 -1.804 6.291 1.00 0.00 N ATOM 806 CA MET A 109 -2.748 -1.229 7.451 1.00 0.00 C ATOM 807 C MET A 109 -2.847 -2.169 8.649 1.00 0.00 C ATOM 808 O MET A 109 -1.884 -2.328 9.400 1.00 0.00 O ATOM 809 CB MET A 109 -3.386 0.123 7.804 1.00 0.00 C ATOM 810 CG MET A 109 -2.854 1.206 6.865 1.00 0.00 C ATOM 811 SD MET A 109 -3.086 0.682 5.147 1.00 0.00 S ATOM 812 CE MET A 109 -1.675 1.572 4.447 1.00 0.00 C ATOM 0 H MET A 109 -4.212 -1.257 5.943 1.00 0.00 H new ATOM 0 HA MET A 109 -1.696 -1.085 7.205 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.471 0.057 7.720 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.161 0.383 8.838 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.376 2.146 7.044 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.797 1.386 7.062 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.625 1.388 3.374 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.793 2.641 4.627 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.756 1.225 4.918 1.00 0.00 H new ATOM 822 N THR A 110 -4.013 -2.783 8.828 1.00 0.00 N ATOM 823 CA THR A 110 -4.218 -3.692 9.943 1.00 0.00 C ATOM 824 C THR A 110 -3.285 -4.893 9.831 1.00 0.00 C ATOM 825 O THR A 110 -2.834 -5.435 10.839 1.00 0.00 O ATOM 826 CB THR A 110 -5.672 -4.167 9.962 1.00 0.00 C ATOM 827 OG1 THR A 110 -5.990 -4.790 8.728 1.00 0.00 O ATOM 828 CG2 THR A 110 -6.602 -2.974 10.183 1.00 0.00 C ATOM 0 H THR A 110 -4.823 -2.667 8.219 1.00 0.00 H new ATOM 0 HA THR A 110 -3.997 -3.163 10.870 1.00 0.00 H new ATOM 0 HB THR A 110 -5.802 -4.883 10.773 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.342 -4.515 8.046 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.637 -3.317 10.196 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.365 -2.499 11.135 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.468 -2.254 9.376 1.00 0.00 H new ATOM 836 N ASN A 111 -2.997 -5.302 8.598 1.00 0.00 N ATOM 837 CA ASN A 111 -2.112 -6.439 8.371 1.00 0.00 C ATOM 838 C ASN A 111 -0.706 -6.133 8.878 1.00 0.00 C ATOM 839 O ASN A 111 -0.061 -6.976 9.500 1.00 0.00 O ATOM 840 CB ASN A 111 -2.062 -6.769 6.879 1.00 0.00 C ATOM 841 CG ASN A 111 -1.110 -7.934 6.636 1.00 0.00 C ATOM 842 OD1 ASN A 111 -0.447 -8.399 7.562 1.00 0.00 O ATOM 843 ND2 ASN A 111 -1.001 -8.435 5.436 1.00 0.00 N ATOM 0 H ASN A 111 -3.360 -4.868 7.749 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.502 -7.297 8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.060 -7.023 6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.733 -5.896 6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.365 -9.214 5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.552 -8.048 4.670 1.00 0.00 H new ATOM 850 N LEU A 112 -0.242 -4.917 8.618 1.00 0.00 N ATOM 851 CA LEU A 112 1.082 -4.502 9.064 1.00 0.00 C ATOM 852 C LEU A 112 1.096 -4.293 10.570 1.00 0.00 C ATOM 853 O LEU A 112 2.121 -4.486 11.220 1.00 0.00 O ATOM 854 CB LEU A 112 1.498 -3.204 8.346 1.00 0.00 C ATOM 855 CG LEU A 112 2.145 -3.539 7.000 1.00 0.00 C ATOM 856 CD1 LEU A 112 1.117 -4.201 6.087 1.00 0.00 C ATOM 857 CD2 LEU A 112 2.657 -2.254 6.352 1.00 0.00 C ATOM 0 H LEU A 112 -0.760 -4.204 8.103 1.00 0.00 H new ATOM 0 HA LEU A 112 1.794 -5.289 8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.627 -2.568 8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.197 -2.643 8.966 1.00 0.00 H new ATOM 0 HG LEU A 112 2.978 -4.224 7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.580 -4.438 5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.754 -5.118 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.281 -3.520 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.119 -2.489 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.824 -1.568 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.394 -1.786 7.004 1.00 0.00 H new ATOM 869 N GLY A 113 -0.043 -3.885 11.118 1.00 0.00 N ATOM 870 CA GLY A 113 -0.154 -3.639 12.555 1.00 0.00 C ATOM 871 C GLY A 113 -0.200 -2.145 12.849 1.00 0.00 C ATOM 872 O GLY A 113 -0.564 -1.732 13.950 1.00 0.00 O ATOM 0 H GLY A 113 -0.901 -3.717 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.054 -4.118 12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.694 -4.089 13.072 1.00 0.00 H new ATOM 876 N GLU A 114 0.164 -1.337 11.858 1.00 0.00 N ATOM 877 CA GLU A 114 0.152 0.111 12.024 1.00 0.00 C ATOM 878 C GLU A 114 -1.278 0.620 12.116 1.00 0.00 C ATOM 879 O GLU A 114 -2.175 0.090 11.465 1.00 0.00 O ATOM 880 CB GLU A 114 0.860 0.780 10.844 1.00 0.00 C ATOM 881 CG GLU A 114 0.158 0.391 9.542 1.00 0.00 C ATOM 882 CD GLU A 114 0.905 0.983 8.352 1.00 0.00 C ATOM 883 OE1 GLU A 114 1.426 2.078 8.488 1.00 0.00 O ATOM 884 OE2 GLU A 114 0.942 0.334 7.319 1.00 0.00 O ATOM 0 H GLU A 114 0.469 -1.658 10.939 1.00 0.00 H new ATOM 0 HA GLU A 114 0.677 0.359 12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.849 1.863 10.966 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.905 0.473 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.115 -0.694 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.871 0.751 9.552 1.00 0.00 H new ATOM 891 N LYS A 115 -1.485 1.654 12.927 1.00 0.00 N ATOM 892 CA LYS A 115 -2.818 2.240 13.105 1.00 0.00 C ATOM 893 C LYS A 115 -2.839 3.675 12.599 1.00 0.00 C ATOM 894 O LYS A 115 -2.190 4.552 13.160 1.00 0.00 O ATOM 895 CB LYS A 115 -3.206 2.208 14.588 1.00 0.00 C ATOM 896 CG LYS A 115 -2.007 2.622 15.449 1.00 0.00 C ATOM 897 CD LYS A 115 -2.387 2.537 16.923 1.00 0.00 C ATOM 898 CE LYS A 115 -1.175 2.909 17.779 1.00 0.00 C ATOM 899 NZ LYS A 115 -1.537 2.805 19.221 1.00 0.00 N ATOM 0 H LYS A 115 -0.751 2.105 13.472 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.536 1.655 12.530 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.044 2.881 14.768 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.536 1.207 14.865 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.156 1.972 15.244 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.700 3.638 15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.218 3.210 17.136 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.723 1.529 17.166 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.340 2.246 17.554 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.849 3.923 17.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.714 3.058 19.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.322 3.455 19.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.828 1.830 19.436 1.00 0.00 H new ATOM 913 N LEU A 116 -3.594 3.908 11.529 1.00 0.00 N ATOM 914 CA LEU A 116 -3.699 5.247 10.943 1.00 0.00 C ATOM 915 C LEU A 116 -5.138 5.738 11.008 1.00 0.00 C ATOM 916 O LEU A 116 -6.070 4.945 11.132 1.00 0.00 O ATOM 917 CB LEU A 116 -3.231 5.216 9.491 1.00 0.00 C ATOM 918 CG LEU A 116 -1.840 4.576 9.412 1.00 0.00 C ATOM 919 CD1 LEU A 116 -1.387 4.523 7.951 1.00 0.00 C ATOM 920 CD2 LEU A 116 -0.837 5.402 10.231 1.00 0.00 C ATOM 0 H LEU A 116 -4.141 3.193 11.050 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.066 5.929 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.937 4.651 8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.200 6.228 9.087 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.886 3.565 9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.398 4.068 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.094 3.929 7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.346 5.534 7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.149 4.941 10.170 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.789 6.415 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.158 5.436 11.272 1.00 0.00 H new ATOM 932 N THR A 117 -5.309 7.052 10.927 1.00 0.00 N ATOM 933 CA THR A 117 -6.641 7.649 10.978 1.00 0.00 C ATOM 934 C THR A 117 -7.289 7.619 9.600 1.00 0.00 C ATOM 935 O THR A 117 -6.631 7.344 8.598 1.00 0.00 O ATOM 936 CB THR A 117 -6.551 9.092 11.473 1.00 0.00 C ATOM 937 OG1 THR A 117 -5.859 9.876 10.515 1.00 0.00 O ATOM 938 CG2 THR A 117 -5.799 9.131 12.805 1.00 0.00 C ATOM 0 H THR A 117 -4.547 7.723 10.826 1.00 0.00 H new ATOM 0 HA THR A 117 -7.253 7.070 11.669 1.00 0.00 H new ATOM 0 HB THR A 117 -7.555 9.491 11.614 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.300 10.536 10.975 1.00 0.00 H new ATOM 0 HG21 THR A 117 -5.735 10.161 13.157 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.331 8.528 13.541 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.794 8.732 12.667 1.00 0.00 H new ATOM 946 N ASP A 118 -8.587 7.896 9.559 1.00 0.00 N ATOM 947 CA ASP A 118 -9.318 7.893 8.299 1.00 0.00 C ATOM 948 C ASP A 118 -8.771 8.960 7.354 1.00 0.00 C ATOM 949 O ASP A 118 -8.650 8.732 6.150 1.00 0.00 O ATOM 950 CB ASP A 118 -10.805 8.149 8.556 1.00 0.00 C ATOM 951 CG ASP A 118 -11.440 6.930 9.216 1.00 0.00 C ATOM 952 OD1 ASP A 118 -10.824 5.877 9.190 1.00 0.00 O ATOM 953 OD2 ASP A 118 -12.534 7.067 9.739 1.00 0.00 O ATOM 0 H ASP A 118 -9.151 8.124 10.378 1.00 0.00 H new ATOM 0 HA ASP A 118 -9.193 6.916 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.926 9.023 9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -11.312 8.369 7.616 1.00 0.00 H new ATOM 958 N GLU A 119 -8.454 10.128 7.904 1.00 0.00 N ATOM 959 CA GLU A 119 -7.934 11.223 7.101 1.00 0.00 C ATOM 960 C GLU A 119 -6.591 10.843 6.485 1.00 0.00 C ATOM 961 O GLU A 119 -6.311 11.174 5.333 1.00 0.00 O ATOM 962 CB GLU A 119 -7.764 12.465 7.973 1.00 0.00 C ATOM 963 CG GLU A 119 -9.131 12.932 8.476 1.00 0.00 C ATOM 964 CD GLU A 119 -8.968 14.158 9.370 1.00 0.00 C ATOM 965 OE1 GLU A 119 -7.842 14.593 9.547 1.00 0.00 O ATOM 966 OE2 GLU A 119 -9.973 14.644 9.863 1.00 0.00 O ATOM 0 H GLU A 119 -8.548 10.338 8.898 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.641 11.434 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.112 12.242 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.285 13.260 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.776 13.171 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -9.617 12.129 9.031 1.00 0.00 H new ATOM 973 N GLU A 120 -5.767 10.144 7.257 1.00 0.00 N ATOM 974 CA GLU A 120 -4.457 9.721 6.772 1.00 0.00 C ATOM 975 C GLU A 120 -4.606 8.739 5.616 1.00 0.00 C ATOM 976 O GLU A 120 -3.846 8.786 4.647 1.00 0.00 O ATOM 977 CB GLU A 120 -3.669 9.064 7.908 1.00 0.00 C ATOM 978 CG GLU A 120 -3.261 10.129 8.928 1.00 0.00 C ATOM 979 CD GLU A 120 -2.657 9.465 10.161 1.00 0.00 C ATOM 980 OE1 GLU A 120 -2.558 8.250 10.164 1.00 0.00 O ATOM 981 OE2 GLU A 120 -2.302 10.181 11.083 1.00 0.00 O ATOM 0 H GLU A 120 -5.979 9.860 8.213 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.918 10.600 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.276 8.297 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.784 8.567 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.539 10.813 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.129 10.723 9.213 1.00 0.00 H new ATOM 988 N VAL A 121 -5.591 7.853 5.719 1.00 0.00 N ATOM 989 CA VAL A 121 -5.829 6.869 4.670 1.00 0.00 C ATOM 990 C VAL A 121 -6.229 7.562 3.370 1.00 0.00 C ATOM 991 O VAL A 121 -5.709 7.245 2.302 1.00 0.00 O ATOM 992 CB VAL A 121 -6.940 5.907 5.101 1.00 0.00 C ATOM 993 CG1 VAL A 121 -7.299 4.978 3.939 1.00 0.00 C ATOM 994 CG2 VAL A 121 -6.457 5.072 6.288 1.00 0.00 C ATOM 0 H VAL A 121 -6.232 7.796 6.510 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.908 6.310 4.503 1.00 0.00 H new ATOM 0 HB VAL A 121 -7.821 6.480 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.090 4.295 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -7.644 5.571 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.419 4.405 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -7.247 4.387 6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.575 4.502 5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -6.205 5.732 7.118 1.00 0.00 H new ATOM 1004 N ASP A 122 -7.159 8.507 3.470 1.00 0.00 N ATOM 1005 CA ASP A 122 -7.625 9.230 2.292 1.00 0.00 C ATOM 1006 C ASP A 122 -6.471 9.971 1.627 1.00 0.00 C ATOM 1007 O ASP A 122 -6.304 9.921 0.410 1.00 0.00 O ATOM 1008 CB ASP A 122 -8.709 10.232 2.693 1.00 0.00 C ATOM 1009 CG ASP A 122 -9.399 10.780 1.447 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -8.931 10.488 0.358 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -10.382 11.485 1.599 1.00 0.00 O ATOM 0 H ASP A 122 -7.601 8.788 4.345 1.00 0.00 H new ATOM 0 HA ASP A 122 -8.036 8.509 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -9.440 9.749 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.268 11.049 3.264 1.00 0.00 H new ATOM 1016 N GLU A 123 -5.677 10.655 2.439 1.00 0.00 N ATOM 1017 CA GLU A 123 -4.535 11.403 1.923 1.00 0.00 C ATOM 1018 C GLU A 123 -3.477 10.453 1.371 1.00 0.00 C ATOM 1019 O GLU A 123 -2.826 10.753 0.370 1.00 0.00 O ATOM 1020 CB GLU A 123 -3.926 12.264 3.033 1.00 0.00 C ATOM 1021 CG GLU A 123 -4.921 13.352 3.445 1.00 0.00 C ATOM 1022 CD GLU A 123 -5.122 14.340 2.302 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -4.130 14.833 1.790 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -6.265 14.588 1.951 1.00 0.00 O ATOM 0 H GLU A 123 -5.799 10.709 3.450 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.883 12.048 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.675 11.642 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.998 12.718 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.875 12.899 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -4.554 13.875 4.328 1.00 0.00 H new ATOM 1031 N MET A 124 -3.304 9.310 2.030 1.00 0.00 N ATOM 1032 CA MET A 124 -2.318 8.338 1.594 1.00 0.00 C ATOM 1033 C MET A 124 -2.647 7.838 0.190 1.00 0.00 C ATOM 1034 O MET A 124 -1.765 7.730 -0.660 1.00 0.00 O ATOM 1035 CB MET A 124 -2.294 7.158 2.568 1.00 0.00 C ATOM 1036 CG MET A 124 -1.186 6.181 2.173 1.00 0.00 C ATOM 1037 SD MET A 124 0.428 6.972 2.405 1.00 0.00 S ATOM 1038 CE MET A 124 0.746 6.360 4.077 1.00 0.00 C ATOM 0 H MET A 124 -3.831 9.040 2.860 1.00 0.00 H new ATOM 0 HA MET A 124 -1.339 8.816 1.575 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.129 7.517 3.584 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.258 6.650 2.562 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.250 5.277 2.779 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.308 5.877 1.133 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.709 6.734 4.424 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.041 6.707 4.747 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.761 5.270 4.069 1.00 0.00 H new ATOM 1048 N ILE A 125 -3.918 7.521 -0.041 1.00 0.00 N ATOM 1049 CA ILE A 125 -4.344 7.023 -1.339 1.00 0.00 C ATOM 1050 C ILE A 125 -4.125 8.084 -2.410 1.00 0.00 C ATOM 1051 O ILE A 125 -3.663 7.780 -3.505 1.00 0.00 O ATOM 1052 CB ILE A 125 -5.826 6.646 -1.288 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -6.011 5.459 -0.343 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -6.301 6.251 -2.691 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -7.503 5.250 -0.071 1.00 0.00 C ATOM 0 H ILE A 125 -4.664 7.600 0.650 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.753 6.142 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.407 7.497 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.581 4.559 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.482 5.640 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.357 5.982 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.163 7.091 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.721 5.398 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.635 4.403 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.918 6.147 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.020 5.050 -1.010 1.00 0.00 H new ATOM 1067 N ARG A 126 -4.468 9.326 -2.088 1.00 0.00 N ATOM 1068 CA ARG A 126 -4.316 10.422 -3.038 1.00 0.00 C ATOM 1069 C ARG A 126 -2.868 10.525 -3.506 1.00 0.00 C ATOM 1070 O ARG A 126 -2.603 10.736 -4.689 1.00 0.00 O ATOM 1071 CB ARG A 126 -4.741 11.741 -2.385 1.00 0.00 C ATOM 1072 CG ARG A 126 -4.679 12.870 -3.419 1.00 0.00 C ATOM 1073 CD ARG A 126 -5.131 14.179 -2.774 1.00 0.00 C ATOM 1074 NE ARG A 126 -5.087 15.262 -3.750 1.00 0.00 N ATOM 1075 CZ ARG A 126 -5.109 16.534 -3.366 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -4.180 16.991 -2.573 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -6.059 17.326 -3.782 1.00 0.00 N ATOM 0 H ARG A 126 -4.851 9.598 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.952 10.224 -3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.752 11.653 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -4.087 11.969 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.663 12.972 -3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.317 12.633 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.144 14.071 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.488 14.417 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.039 15.039 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.437 16.372 -2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.196 17.967 -2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -6.786 16.969 -4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -6.075 18.302 -3.487 1.00 0.00 H new ATOM 1091 N GLU A 127 -1.937 10.378 -2.572 1.00 0.00 N ATOM 1092 CA GLU A 127 -0.519 10.455 -2.903 1.00 0.00 C ATOM 1093 C GLU A 127 -0.119 9.302 -3.817 1.00 0.00 C ATOM 1094 O GLU A 127 0.712 9.465 -4.710 1.00 0.00 O ATOM 1095 CB GLU A 127 0.318 10.409 -1.624 1.00 0.00 C ATOM 1096 CG GLU A 127 0.084 11.686 -0.815 1.00 0.00 C ATOM 1097 CD GLU A 127 0.831 11.606 0.512 1.00 0.00 C ATOM 1098 OE1 GLU A 127 1.484 10.602 0.743 1.00 0.00 O ATOM 1099 OE2 GLU A 127 0.737 12.550 1.280 1.00 0.00 O ATOM 0 H GLU A 127 -2.135 10.206 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 127 -0.337 11.395 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.047 9.535 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.375 10.311 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.424 12.553 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.982 11.822 -0.634 1.00 0.00 H new ATOM 1106 N ALA A 128 -0.715 8.136 -3.588 1.00 0.00 N ATOM 1107 CA ALA A 128 -0.413 6.959 -4.400 1.00 0.00 C ATOM 1108 C ALA A 128 -1.276 6.939 -5.657 1.00 0.00 C ATOM 1109 O ALA A 128 -0.913 6.326 -6.660 1.00 0.00 O ATOM 1110 CB ALA A 128 -0.664 5.688 -3.586 1.00 0.00 C ATOM 0 H ALA A 128 -1.405 7.980 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 128 0.636 7.002 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.437 4.814 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.025 5.689 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.709 5.654 -3.278 1.00 0.00 H new ATOM 1116 N ASP A 129 -2.422 7.611 -5.595 1.00 0.00 N ATOM 1117 CA ASP A 129 -3.331 7.656 -6.733 1.00 0.00 C ATOM 1118 C ASP A 129 -2.655 8.324 -7.926 1.00 0.00 C ATOM 1119 O ASP A 129 -2.376 9.522 -7.902 1.00 0.00 O ATOM 1120 CB ASP A 129 -4.590 8.434 -6.360 1.00 0.00 C ATOM 1121 CG ASP A 129 -5.663 8.221 -7.417 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -5.359 7.620 -8.434 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -6.777 8.653 -7.187 1.00 0.00 O ATOM 0 H ASP A 129 -2.740 8.128 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 129 -3.601 6.635 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.956 8.106 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -4.359 9.496 -6.272 1.00 0.00 H new ATOM 1128 N ILE A 130 -2.381 7.534 -8.960 1.00 0.00 N ATOM 1129 CA ILE A 130 -1.724 8.055 -10.151 1.00 0.00 C ATOM 1130 C ILE A 130 -2.636 9.005 -10.913 1.00 0.00 C ATOM 1131 O ILE A 130 -2.206 10.063 -11.367 1.00 0.00 O ATOM 1132 CB ILE A 130 -1.317 6.905 -11.068 1.00 0.00 C ATOM 1133 CG1 ILE A 130 -0.503 5.885 -10.266 1.00 0.00 C ATOM 1134 CG2 ILE A 130 -0.464 7.438 -12.225 1.00 0.00 C ATOM 1135 CD1 ILE A 130 0.696 6.565 -9.588 1.00 0.00 C ATOM 0 H ILE A 130 -2.602 6.539 -8.996 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.839 8.605 -9.830 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.212 6.431 -11.471 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.137 5.417 -9.513 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.153 5.091 -10.926 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.177 6.612 -12.876 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.040 8.167 -12.796 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.432 7.915 -11.827 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.262 5.825 -9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.338 7.011 -10.347 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.339 7.342 -8.912 1.00 0.00 H new ATOM 1147 N ASP A 131 -3.894 8.606 -11.070 1.00 0.00 N ATOM 1148 CA ASP A 131 -4.865 9.415 -11.804 1.00 0.00 C ATOM 1149 C ASP A 131 -5.726 10.231 -10.851 1.00 0.00 C ATOM 1150 O ASP A 131 -6.757 10.775 -11.245 1.00 0.00 O ATOM 1151 CB ASP A 131 -5.750 8.511 -12.661 1.00 0.00 C ATOM 1152 CG ASP A 131 -6.406 7.445 -11.793 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -6.306 7.554 -10.584 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -6.994 6.533 -12.350 1.00 0.00 O ATOM 0 H ASP A 131 -4.266 7.731 -10.701 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.320 10.105 -12.448 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.515 9.106 -13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.153 8.039 -13.441 1.00 0.00 H new ATOM 1159 N GLY A 132 -5.296 10.324 -9.595 1.00 0.00 N ATOM 1160 CA GLY A 132 -6.039 11.096 -8.604 1.00 0.00 C ATOM 1161 C GLY A 132 -7.535 10.847 -8.732 1.00 0.00 C ATOM 1162 O GLY A 132 -8.341 11.754 -8.530 1.00 0.00 O ATOM 0 H GLY A 132 -4.448 9.880 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.706 10.826 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.831 12.158 -8.734 1.00 0.00 H new ATOM 1166 N ASP A 133 -7.903 9.617 -9.078 1.00 0.00 N ATOM 1167 CA ASP A 133 -9.309 9.268 -9.240 1.00 0.00 C ATOM 1168 C ASP A 133 -9.958 9.007 -7.885 1.00 0.00 C ATOM 1169 O ASP A 133 -11.153 8.725 -7.804 1.00 0.00 O ATOM 1170 CB ASP A 133 -9.439 8.024 -10.122 1.00 0.00 C ATOM 1171 CG ASP A 133 -8.613 6.885 -9.539 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -7.902 7.130 -8.582 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -8.706 5.784 -10.058 1.00 0.00 O ATOM 0 H ASP A 133 -7.252 8.851 -9.250 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.819 10.105 -9.716 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.485 7.726 -10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.102 8.248 -11.134 1.00 0.00 H new ATOM 1178 N GLY A 134 -9.163 9.104 -6.826 1.00 0.00 N ATOM 1179 CA GLY A 134 -9.668 8.880 -5.479 1.00 0.00 C ATOM 1180 C GLY A 134 -9.787 7.390 -5.182 1.00 0.00 C ATOM 1181 O GLY A 134 -10.143 6.996 -4.074 1.00 0.00 O ATOM 0 H GLY A 134 -8.171 9.335 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -9.001 9.347 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -10.642 9.356 -5.368 1.00 0.00 H new ATOM 1185 N GLN A 135 -9.486 6.564 -6.181 1.00 0.00 N ATOM 1186 CA GLN A 135 -9.564 5.111 -6.017 1.00 0.00 C ATOM 1187 C GLN A 135 -8.394 4.435 -6.722 1.00 0.00 C ATOM 1188 O GLN A 135 -7.801 4.995 -7.640 1.00 0.00 O ATOM 1189 CB GLN A 135 -10.881 4.594 -6.594 1.00 0.00 C ATOM 1190 CG GLN A 135 -12.042 5.081 -5.725 1.00 0.00 C ATOM 1191 CD GLN A 135 -13.366 4.592 -6.303 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -13.532 4.539 -7.521 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -14.323 4.224 -5.495 1.00 0.00 N ATOM 0 H GLN A 135 -9.188 6.871 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 135 -9.518 4.876 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -11.006 4.947 -7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -10.872 3.505 -6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -11.923 4.714 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -12.038 6.170 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -14.184 4.269 -4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -15.210 3.892 -5.873 1.00 0.00 H new ATOM 1202 N VAL A 136 -8.070 3.222 -6.289 1.00 0.00 N ATOM 1203 CA VAL A 136 -6.965 2.474 -6.889 1.00 0.00 C ATOM 1204 C VAL A 136 -7.500 1.470 -7.902 1.00 0.00 C ATOM 1205 O VAL A 136 -8.314 0.610 -7.570 1.00 0.00 O ATOM 1206 CB VAL A 136 -6.186 1.738 -5.801 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -5.043 0.946 -6.439 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -5.615 2.753 -4.809 1.00 0.00 C ATOM 0 H VAL A 136 -8.550 2.736 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 136 -6.302 3.174 -7.398 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.852 1.053 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.487 0.421 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.451 0.223 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.376 1.629 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.059 2.229 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.949 3.438 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.430 3.316 -4.355 1.00 0.00 H new ATOM 1218 N ASN A 137 -7.037 1.590 -9.144 1.00 0.00 N ATOM 1219 CA ASN A 137 -7.480 0.691 -10.210 1.00 0.00 C ATOM 1220 C ASN A 137 -6.544 -0.508 -10.316 1.00 0.00 C ATOM 1221 O ASN A 137 -5.413 -0.473 -9.831 1.00 0.00 O ATOM 1222 CB ASN A 137 -7.504 1.439 -11.543 1.00 0.00 C ATOM 1223 CG ASN A 137 -8.496 2.595 -11.472 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -9.438 2.560 -10.681 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -8.336 3.627 -12.256 1.00 0.00 N ATOM 0 H ASN A 137 -6.360 2.295 -9.437 1.00 0.00 H new ATOM 0 HA ASN A 137 -8.483 0.338 -9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -6.508 1.817 -11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.783 0.758 -12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.993 4.406 -12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.554 3.654 -12.911 1.00 0.00 H new ATOM 1232 N TYR A 138 -7.025 -1.573 -10.953 1.00 0.00 N ATOM 1233 CA TYR A 138 -6.220 -2.779 -11.114 1.00 0.00 C ATOM 1234 C TYR A 138 -4.936 -2.465 -11.875 1.00 0.00 C ATOM 1235 O TYR A 138 -3.841 -2.824 -11.441 1.00 0.00 O ATOM 1236 CB TYR A 138 -7.020 -3.835 -11.876 1.00 0.00 C ATOM 1237 CG TYR A 138 -6.152 -5.046 -12.123 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -5.995 -6.014 -11.125 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -5.502 -5.199 -13.354 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -5.187 -7.134 -11.356 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -4.694 -6.317 -13.586 1.00 0.00 C ATOM 1242 CZ TYR A 138 -4.536 -7.285 -12.587 1.00 0.00 C ATOM 1243 OH TYR A 138 -3.739 -8.388 -12.816 1.00 0.00 O ATOM 0 H TYR A 138 -7.958 -1.625 -11.362 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.960 -3.159 -10.126 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.904 -4.119 -11.305 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.371 -3.427 -12.824 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.497 -5.897 -10.176 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.625 -4.453 -14.125 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.066 -7.881 -10.585 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -4.192 -6.433 -14.535 1.00 0.00 H new ATOM 0 HH TYR A 138 -3.363 -8.338 -13.720 1.00 0.00 H new ATOM 1253 N GLU A 139 -5.077 -1.793 -13.008 1.00 0.00 N ATOM 1254 CA GLU A 139 -3.918 -1.434 -13.820 1.00 0.00 C ATOM 1255 C GLU A 139 -2.956 -0.569 -13.018 1.00 0.00 C ATOM 1256 O GLU A 139 -1.739 -0.705 -13.137 1.00 0.00 O ATOM 1257 CB GLU A 139 -4.372 -0.675 -15.070 1.00 0.00 C ATOM 1258 CG GLU A 139 -5.207 -1.596 -15.962 1.00 0.00 C ATOM 1259 CD GLU A 139 -4.349 -2.750 -16.471 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -3.138 -2.603 -16.476 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -4.915 -3.765 -16.845 1.00 0.00 O ATOM 0 H GLU A 139 -5.973 -1.486 -13.386 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.406 -2.349 -14.118 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.958 0.198 -14.783 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -3.505 -0.310 -15.620 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.058 -1.984 -15.402 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.610 -1.033 -16.804 1.00 0.00 H new ATOM 1268 N GLU A 140 -3.509 0.317 -12.198 1.00 0.00 N ATOM 1269 CA GLU A 140 -2.687 1.196 -11.375 1.00 0.00 C ATOM 1270 C GLU A 140 -2.093 0.427 -10.200 1.00 0.00 C ATOM 1271 O GLU A 140 -0.985 0.720 -9.750 1.00 0.00 O ATOM 1272 CB GLU A 140 -3.531 2.361 -10.852 1.00 0.00 C ATOM 1273 CG GLU A 140 -3.803 3.346 -11.990 1.00 0.00 C ATOM 1274 CD GLU A 140 -4.700 4.477 -11.497 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -4.214 5.307 -10.748 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -5.860 4.496 -11.876 1.00 0.00 O ATOM 0 H GLU A 140 -4.515 0.445 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.874 1.584 -11.989 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.472 1.989 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.010 2.865 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.863 3.752 -12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.280 2.829 -12.823 1.00 0.00 H new ATOM 1283 N PHE A 141 -2.836 -0.558 -9.704 1.00 0.00 N ATOM 1284 CA PHE A 141 -2.369 -1.360 -8.579 1.00 0.00 C ATOM 1285 C PHE A 141 -1.077 -2.085 -8.943 1.00 0.00 C ATOM 1286 O PHE A 141 -0.110 -2.069 -8.181 1.00 0.00 O ATOM 1287 CB PHE A 141 -3.441 -2.379 -8.190 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.990 -3.141 -6.964 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.846 -2.473 -5.740 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -2.714 -4.512 -7.046 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.429 -3.174 -4.603 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -2.297 -5.212 -5.910 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.154 -4.545 -4.689 1.00 0.00 C ATOM 0 H PHE A 141 -3.756 -0.818 -10.060 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.174 -0.699 -7.735 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.385 -1.872 -7.989 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.619 -3.069 -9.015 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.057 -1.416 -5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.824 -5.029 -7.988 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.319 -2.659 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.085 -6.269 -5.975 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.832 -5.087 -3.812 1.00 0.00 H new ATOM 1303 N VAL A 142 -1.068 -2.724 -10.109 1.00 0.00 N ATOM 1304 CA VAL A 142 0.109 -3.460 -10.551 1.00 0.00 C ATOM 1305 C VAL A 142 1.311 -2.525 -10.626 1.00 0.00 C ATOM 1306 O VAL A 142 2.394 -2.855 -10.145 1.00 0.00 O ATOM 1307 CB VAL A 142 -0.151 -4.070 -11.932 1.00 0.00 C ATOM 1308 CG1 VAL A 142 1.123 -4.746 -12.445 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -1.274 -5.106 -11.832 1.00 0.00 C ATOM 0 H VAL A 142 -1.854 -2.747 -10.758 1.00 0.00 H new ATOM 0 HA VAL A 142 0.318 -4.256 -9.836 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.445 -3.281 -12.624 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.935 -5.179 -13.427 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.921 -4.008 -12.521 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.421 -5.533 -11.753 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.458 -5.539 -12.815 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.982 -5.894 -11.137 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.183 -4.624 -11.472 1.00 0.00 H new ATOM 1319 N GLN A 143 1.111 -1.351 -11.216 1.00 0.00 N ATOM 1320 CA GLN A 143 2.188 -0.373 -11.325 1.00 0.00 C ATOM 1321 C GLN A 143 2.597 0.128 -9.944 1.00 0.00 C ATOM 1322 O GLN A 143 3.783 0.223 -9.633 1.00 0.00 O ATOM 1323 CB GLN A 143 1.731 0.807 -12.186 1.00 0.00 C ATOM 1324 CG GLN A 143 1.670 0.374 -13.653 1.00 0.00 C ATOM 1325 CD GLN A 143 3.081 0.289 -14.227 1.00 0.00 C ATOM 1326 OE1 GLN A 143 3.941 1.234 -13.961 1.00 0.00 O flip ATOM 1327 NE2 GLN A 143 3.408 -0.664 -14.936 1.00 0.00 N flip ATOM 0 H GLN A 143 0.223 -1.055 -11.622 1.00 0.00 H new ATOM 0 HA GLN A 143 3.048 -0.853 -11.792 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.751 1.153 -11.857 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.420 1.644 -12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 143 1.175 -0.594 -13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 143 1.076 1.085 -14.227 1.00 0.00 H new ATOM 0 HE21 GLN A 143 2.734 -1.401 -15.142 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.353 -0.716 -15.317 1.00 0.00 H new ATOM 1336 N MET A 144 1.605 0.445 -9.119 1.00 0.00 N ATOM 1337 CA MET A 144 1.870 0.938 -7.772 1.00 0.00 C ATOM 1338 C MET A 144 2.672 -0.088 -6.982 1.00 0.00 C ATOM 1339 O MET A 144 3.489 0.271 -6.137 1.00 0.00 O ATOM 1340 CB MET A 144 0.552 1.218 -7.046 1.00 0.00 C ATOM 1341 CG MET A 144 0.837 1.872 -5.691 1.00 0.00 C ATOM 1342 SD MET A 144 -0.717 2.121 -4.800 1.00 0.00 S ATOM 1343 CE MET A 144 -1.472 3.275 -5.970 1.00 0.00 C ATOM 0 H MET A 144 0.616 0.370 -9.357 1.00 0.00 H new ATOM 0 HA MET A 144 2.445 1.861 -7.849 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.076 1.872 -7.651 1.00 0.00 H new ATOM 0 HB3 MET A 144 -0.000 0.289 -6.903 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.507 1.242 -5.105 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.342 2.827 -5.836 1.00 0.00 H new ATOM 0 HE1 MET A 144 -2.082 3.997 -5.427 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.690 3.801 -6.518 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.099 2.724 -6.671 1.00 0.00 H new ATOM 1353 N MET A 145 2.433 -1.364 -7.263 1.00 0.00 N ATOM 1354 CA MET A 145 3.139 -2.438 -6.572 1.00 0.00 C ATOM 1355 C MET A 145 4.458 -2.749 -7.267 1.00 0.00 C ATOM 1356 O MET A 145 5.439 -3.120 -6.622 1.00 0.00 O ATOM 1357 CB MET A 145 2.271 -3.693 -6.535 1.00 0.00 C ATOM 1358 CG MET A 145 2.872 -4.702 -5.555 1.00 0.00 C ATOM 1359 SD MET A 145 2.652 -4.096 -3.860 1.00 0.00 S ATOM 1360 CE MET A 145 1.260 -5.159 -3.410 1.00 0.00 C ATOM 0 H MET A 145 1.759 -1.680 -7.961 1.00 0.00 H new ATOM 0 HA MET A 145 3.349 -2.111 -5.553 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.256 -3.437 -6.232 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.206 -4.132 -7.531 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.389 -5.672 -5.672 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.931 -4.846 -5.767 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.672 -4.678 -2.628 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.632 -5.326 -4.285 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.635 -6.115 -3.045 1.00 0.00 H new ATOM 1370 N THR A 146 4.475 -2.608 -8.590 1.00 0.00 N ATOM 1371 CA THR A 146 5.681 -2.886 -9.368 1.00 0.00 C ATOM 1372 C THR A 146 6.474 -1.606 -9.608 1.00 0.00 C ATOM 1373 O THR A 146 7.489 -1.610 -10.302 1.00 0.00 O ATOM 1374 CB THR A 146 5.303 -3.518 -10.711 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.344 -4.545 -10.498 1.00 0.00 O ATOM 1376 CG2 THR A 146 6.547 -4.111 -11.383 1.00 0.00 C ATOM 0 H THR A 146 3.674 -2.305 -9.144 1.00 0.00 H new ATOM 0 HA THR A 146 6.302 -3.581 -8.803 1.00 0.00 H new ATOM 0 HB THR A 146 4.881 -2.750 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.444 -4.158 -10.505 1.00 0.00 H new ATOM 0 HG21 THR A 146 6.267 -4.558 -12.337 1.00 0.00 H new ATOM 0 HG22 THR A 146 7.280 -3.322 -11.553 1.00 0.00 H new ATOM 0 HG23 THR A 146 6.980 -4.875 -10.738 1.00 0.00 H new