USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 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+ -163:sc= -0.0627 (180deg=-0.581) USER MOD Single : A 97 ASN : amide:sc= -2.63! C(o=-2.6!,f=-13!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -80:sc= 1.13 USER MOD Single : A 107 HIS : no HD1:sc=-0.000615 X(o=-0.00062,f=0) USER MOD Single : A 109 MET CE :methyl -179:sc= -1.28 (180deg=-1.32) USER MOD Single : A 110 THR OG1 : rot 79:sc= 0.138 USER MOD Single : A 111 ASN : amide:sc= -1.59! C(o=-1.6!,f=-3.3!) USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= -0.0864 (180deg=-0.538) USER MOD Single : A 117 THR OG1 : rot -160:sc= -0.473 USER MOD Single : A 124 MET CE :methyl -178:sc= -0.175 (180deg=-0.188) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 137 ASN : amide:sc= -1.81 K(o=-1.8,f=-6.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.1) USER MOD Single : A 144 MET CE :methyl -157:sc= -0.735 (180deg=-2.59) USER MOD Single : A 145 MET CE :methyl 153:sc= -0.027 (180deg=-0.304) USER MOD Single : A 146 THR OG1 : rot 12:sc= 0.622 USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 3.363 -12.738 -8.967 1.00 0.00 N ATOM 382 CA GLU A 82 2.726 -11.703 -9.774 1.00 0.00 C ATOM 383 C GLU A 82 1.268 -12.059 -10.044 1.00 0.00 C ATOM 384 O GLU A 82 0.413 -11.177 -10.147 1.00 0.00 O ATOM 385 CB GLU A 82 3.470 -11.548 -11.105 1.00 0.00 C ATOM 386 CG GLU A 82 2.866 -10.385 -11.894 1.00 0.00 C ATOM 387 CD GLU A 82 3.623 -10.197 -13.205 1.00 0.00 C ATOM 388 OE1 GLU A 82 4.698 -10.759 -13.331 1.00 0.00 O ATOM 389 OE2 GLU A 82 3.116 -9.494 -14.064 1.00 0.00 O ATOM 0 HA GLU A 82 2.764 -10.763 -9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.529 -11.367 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.399 -12.469 -11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.813 -10.580 -12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.913 -9.470 -11.303 1.00 0.00 H new ATOM 396 N GLU A 83 0.992 -13.352 -10.159 1.00 0.00 N ATOM 397 CA GLU A 83 -0.362 -13.810 -10.451 1.00 0.00 C ATOM 398 C GLU A 83 -1.315 -13.432 -9.324 1.00 0.00 C ATOM 399 O GLU A 83 -2.448 -13.015 -9.568 1.00 0.00 O ATOM 400 CB GLU A 83 -0.370 -15.330 -10.641 1.00 0.00 C ATOM 401 CG GLU A 83 0.432 -15.693 -11.892 1.00 0.00 C ATOM 402 CD GLU A 83 -0.265 -15.151 -13.136 1.00 0.00 C ATOM 403 OE1 GLU A 83 -1.462 -14.924 -13.068 1.00 0.00 O ATOM 404 OE2 GLU A 83 0.409 -14.966 -14.134 1.00 0.00 O ATOM 0 H GLU A 83 1.681 -14.097 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.696 -13.326 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.060 -15.819 -9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.395 -15.690 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.439 -15.281 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.535 -16.776 -11.966 1.00 0.00 H new ATOM 411 N GLU A 84 -0.848 -13.576 -8.089 1.00 0.00 N ATOM 412 CA GLU A 84 -1.671 -13.256 -6.928 1.00 0.00 C ATOM 413 C GLU A 84 -2.121 -11.799 -6.978 1.00 0.00 C ATOM 414 O GLU A 84 -3.204 -11.458 -6.499 1.00 0.00 O ATOM 415 CB GLU A 84 -0.881 -13.503 -5.642 1.00 0.00 C ATOM 416 CG GLU A 84 -1.831 -13.471 -4.444 1.00 0.00 C ATOM 417 CD GLU A 84 -2.742 -14.694 -4.467 1.00 0.00 C ATOM 418 OE1 GLU A 84 -2.385 -15.660 -5.122 1.00 0.00 O ATOM 419 OE2 GLU A 84 -3.781 -14.646 -3.830 1.00 0.00 O ATOM 0 H GLU A 84 0.090 -13.910 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.551 -13.899 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.376 -14.467 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.108 -12.744 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.259 -13.451 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.430 -12.561 -4.469 1.00 0.00 H new ATOM 426 N ILE A 85 -1.286 -10.946 -7.561 1.00 0.00 N ATOM 427 CA ILE A 85 -1.604 -9.526 -7.652 1.00 0.00 C ATOM 428 C ILE A 85 -2.905 -9.316 -8.419 1.00 0.00 C ATOM 429 O ILE A 85 -3.752 -8.518 -8.016 1.00 0.00 O ATOM 430 CB ILE A 85 -0.468 -8.783 -8.362 1.00 0.00 C ATOM 431 CG1 ILE A 85 0.862 -9.117 -7.679 1.00 0.00 C ATOM 432 CG2 ILE A 85 -0.716 -7.275 -8.281 1.00 0.00 C ATOM 433 CD1 ILE A 85 0.767 -8.795 -6.187 1.00 0.00 C ATOM 0 H ILE A 85 -0.392 -11.210 -7.974 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.723 -9.134 -6.642 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.429 -9.090 -9.407 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.100 -10.171 -7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.670 -8.545 -8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.092 -6.746 -8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.664 -7.036 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.753 -6.968 -7.236 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.714 -9.033 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.549 -7.735 -6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.030 -9.387 -5.737 1.00 0.00 H new ATOM 445 N ARG A 86 -3.058 -10.038 -9.525 1.00 0.00 N ATOM 446 CA ARG A 86 -4.260 -9.917 -10.342 1.00 0.00 C ATOM 447 C ARG A 86 -5.496 -10.308 -9.539 1.00 0.00 C ATOM 448 O ARG A 86 -6.509 -9.610 -9.562 1.00 0.00 O ATOM 449 CB ARG A 86 -4.144 -10.816 -11.575 1.00 0.00 C ATOM 450 CG ARG A 86 -5.358 -10.600 -12.480 1.00 0.00 C ATOM 451 CD ARG A 86 -5.240 -11.494 -13.716 1.00 0.00 C ATOM 452 NE ARG A 86 -5.302 -12.900 -13.330 1.00 0.00 N ATOM 453 CZ ARG A 86 -5.184 -13.866 -14.233 1.00 0.00 C ATOM 454 NH1 ARG A 86 -5.115 -13.568 -15.503 1.00 0.00 N ATOM 455 NH2 ARG A 86 -5.137 -15.114 -13.853 1.00 0.00 N ATOM 0 H ARG A 86 -2.371 -10.707 -9.873 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.360 -8.878 -10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.227 -10.589 -12.119 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.085 -11.861 -11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.275 -10.831 -11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.420 -9.554 -12.780 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.043 -11.266 -14.416 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.301 -11.292 -14.231 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.438 -13.145 -12.349 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.152 -12.593 -15.801 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.024 -14.310 -16.197 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.191 -15.348 -12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.046 -15.856 -14.548 1.00 0.00 H new ATOM 469 N GLU A 87 -5.406 -11.429 -8.833 1.00 0.00 N ATOM 470 CA GLU A 87 -6.520 -11.901 -8.017 1.00 0.00 C ATOM 471 C GLU A 87 -6.729 -10.986 -6.814 1.00 0.00 C ATOM 472 O GLU A 87 -7.860 -10.736 -6.400 1.00 0.00 O ATOM 473 CB GLU A 87 -6.251 -13.327 -7.539 1.00 0.00 C ATOM 474 CG GLU A 87 -6.261 -14.279 -8.736 1.00 0.00 C ATOM 475 CD GLU A 87 -5.896 -15.689 -8.284 1.00 0.00 C ATOM 476 OE1 GLU A 87 -5.659 -15.868 -7.101 1.00 0.00 O ATOM 477 OE2 GLU A 87 -5.860 -16.569 -9.128 1.00 0.00 O ATOM 0 H GLU A 87 -4.579 -12.025 -8.808 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.423 -11.889 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.288 -13.376 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.009 -13.628 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.247 -14.281 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.553 -13.935 -9.490 1.00 0.00 H new ATOM 484 N ALA A 88 -5.627 -10.491 -6.256 1.00 0.00 N ATOM 485 CA ALA A 88 -5.702 -9.612 -5.096 1.00 0.00 C ATOM 486 C ALA A 88 -6.558 -8.387 -5.407 1.00 0.00 C ATOM 487 O ALA A 88 -7.396 -7.983 -4.600 1.00 0.00 O ATOM 488 CB ALA A 88 -4.296 -9.161 -4.692 1.00 0.00 C ATOM 0 H ALA A 88 -4.681 -10.682 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.159 -10.164 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.360 -8.504 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.692 -10.033 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.834 -8.624 -5.520 1.00 0.00 H new ATOM 494 N PHE A 89 -6.349 -7.810 -6.583 1.00 0.00 N ATOM 495 CA PHE A 89 -7.107 -6.629 -6.990 1.00 0.00 C ATOM 496 C PHE A 89 -8.604 -6.922 -6.951 1.00 0.00 C ATOM 497 O PHE A 89 -9.393 -6.108 -6.468 1.00 0.00 O ATOM 498 CB PHE A 89 -6.705 -6.213 -8.406 1.00 0.00 C ATOM 499 CG PHE A 89 -7.309 -4.866 -8.725 1.00 0.00 C ATOM 500 CD1 PHE A 89 -6.634 -3.694 -8.366 1.00 0.00 C ATOM 501 CD2 PHE A 89 -8.543 -4.790 -9.381 1.00 0.00 C ATOM 502 CE1 PHE A 89 -7.192 -2.445 -8.661 1.00 0.00 C ATOM 503 CE2 PHE A 89 -9.103 -3.541 -9.677 1.00 0.00 C ATOM 504 CZ PHE A 89 -8.428 -2.368 -9.317 1.00 0.00 C ATOM 0 H PHE A 89 -5.667 -8.135 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.885 -5.817 -6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.619 -6.165 -8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.047 -6.957 -9.126 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.681 -3.753 -7.861 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.063 -5.695 -9.659 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.670 -1.541 -8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.055 -3.482 -10.183 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.860 -1.405 -9.545 1.00 0.00 H new ATOM 514 N ARG A 90 -8.990 -8.088 -7.459 1.00 0.00 N ATOM 515 CA ARG A 90 -10.396 -8.475 -7.476 1.00 0.00 C ATOM 516 C ARG A 90 -10.965 -8.486 -6.061 1.00 0.00 C ATOM 517 O ARG A 90 -12.061 -7.980 -5.819 1.00 0.00 O ATOM 518 CB ARG A 90 -10.546 -9.864 -8.099 1.00 0.00 C ATOM 519 CG ARG A 90 -12.029 -10.228 -8.184 1.00 0.00 C ATOM 520 CD ARG A 90 -12.182 -11.612 -8.816 1.00 0.00 C ATOM 521 NE ARG A 90 -11.626 -12.634 -7.935 1.00 0.00 N ATOM 522 CZ ARG A 90 -11.643 -13.918 -8.276 1.00 0.00 C ATOM 523 NH1 ARG A 90 -11.479 -14.264 -9.523 1.00 0.00 N ATOM 524 NH2 ARG A 90 -11.823 -14.833 -7.363 1.00 0.00 N ATOM 0 H ARG A 90 -8.354 -8.777 -7.862 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.948 -7.748 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.100 -9.878 -9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.013 -10.602 -7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.473 -10.220 -7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.563 -9.485 -8.777 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.235 -11.819 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.674 -11.637 -9.780 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.217 -12.358 -7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.338 -13.549 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.492 -15.250 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.951 -14.562 -6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.836 -15.819 -7.625 1.00 0.00 H new ATOM 538 N VAL A 91 -10.216 -9.069 -5.131 1.00 0.00 N ATOM 539 CA VAL A 91 -10.650 -9.130 -3.740 1.00 0.00 C ATOM 540 C VAL A 91 -10.618 -7.744 -3.105 1.00 0.00 C ATOM 541 O VAL A 91 -11.516 -7.374 -2.349 1.00 0.00 O ATOM 542 CB VAL A 91 -9.749 -10.079 -2.952 1.00 0.00 C ATOM 543 CG1 VAL A 91 -10.148 -10.056 -1.476 1.00 0.00 C ATOM 544 CG2 VAL A 91 -9.904 -11.500 -3.499 1.00 0.00 C ATOM 0 H VAL A 91 -9.311 -9.503 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.674 -9.502 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.711 -9.761 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.505 -10.733 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.039 -9.044 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.186 -10.374 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.261 -12.178 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.942 -11.817 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.619 -11.518 -4.551 1.00 0.00 H new ATOM 554 N GLU A 92 -9.573 -6.984 -3.412 1.00 0.00 N ATOM 555 CA GLU A 92 -9.431 -5.637 -2.871 1.00 0.00 C ATOM 556 C GLU A 92 -10.411 -4.682 -3.545 1.00 0.00 C ATOM 557 O GLU A 92 -10.319 -3.465 -3.380 1.00 0.00 O ATOM 558 CB GLU A 92 -8.001 -5.137 -3.073 1.00 0.00 C ATOM 559 CG GLU A 92 -7.045 -5.955 -2.203 1.00 0.00 C ATOM 560 CD GLU A 92 -5.606 -5.525 -2.465 1.00 0.00 C ATOM 561 OE1 GLU A 92 -5.413 -4.631 -3.272 1.00 0.00 O ATOM 562 OE2 GLU A 92 -4.718 -6.097 -1.855 1.00 0.00 O ATOM 0 H GLU A 92 -8.815 -7.275 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.652 -5.671 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.719 -5.224 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.934 -4.081 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.289 -5.816 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.161 -7.017 -2.419 1.00 0.00 H new ATOM 569 N ASP A 93 -11.339 -5.240 -4.316 1.00 0.00 N ATOM 570 CA ASP A 93 -12.327 -4.427 -5.015 1.00 0.00 C ATOM 571 C ASP A 93 -13.733 -4.973 -4.786 1.00 0.00 C ATOM 572 O ASP A 93 -14.366 -5.492 -5.705 1.00 0.00 O ATOM 573 CB ASP A 93 -12.021 -4.415 -6.514 1.00 0.00 C ATOM 574 CG ASP A 93 -12.820 -3.312 -7.200 1.00 0.00 C ATOM 575 OD1 ASP A 93 -13.400 -2.502 -6.495 1.00 0.00 O ATOM 576 OD2 ASP A 93 -12.838 -3.293 -8.420 1.00 0.00 O ATOM 0 H ASP A 93 -11.427 -6.244 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.278 -3.411 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.955 -4.257 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.269 -5.382 -6.952 1.00 0.00 H new ATOM 581 N LYS A 94 -14.218 -4.850 -3.553 1.00 0.00 N ATOM 582 CA LYS A 94 -15.547 -5.340 -3.213 1.00 0.00 C ATOM 583 C LYS A 94 -16.609 -4.640 -4.055 1.00 0.00 C ATOM 584 O LYS A 94 -17.562 -5.267 -4.516 1.00 0.00 O ATOM 585 CB LYS A 94 -15.829 -5.097 -1.729 1.00 0.00 C ATOM 586 CG LYS A 94 -14.904 -5.972 -0.882 1.00 0.00 C ATOM 587 CD LYS A 94 -15.183 -5.726 0.602 1.00 0.00 C ATOM 588 CE LYS A 94 -14.190 -6.523 1.448 1.00 0.00 C ATOM 589 NZ LYS A 94 -14.303 -7.971 1.116 1.00 0.00 N ATOM 0 H LYS A 94 -13.713 -4.418 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 94 -15.583 -6.410 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.675 -4.046 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.870 -5.327 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.060 -7.024 -1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.863 -5.745 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.098 -4.663 0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.203 -6.022 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.174 -6.174 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.390 -6.365 2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.857 -8.535 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.307 -8.232 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.824 -8.158 0.212 1.00 0.00 H new ATOM 603 N ASP A 95 -16.430 -3.337 -4.259 1.00 0.00 N ATOM 604 CA ASP A 95 -17.387 -2.563 -5.041 1.00 0.00 C ATOM 605 C ASP A 95 -17.206 -2.847 -6.531 1.00 0.00 C ATOM 606 O ASP A 95 -17.957 -2.339 -7.363 1.00 0.00 O ATOM 607 CB ASP A 95 -17.181 -1.068 -4.782 1.00 0.00 C ATOM 608 CG ASP A 95 -16.942 -0.825 -3.295 1.00 0.00 C ATOM 609 OD1 ASP A 95 -17.898 -0.900 -2.542 1.00 0.00 O ATOM 610 OD2 ASP A 95 -15.805 -0.569 -2.934 1.00 0.00 O ATOM 0 H ASP A 95 -15.641 -2.801 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.395 -2.851 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -16.331 -0.704 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -18.056 -0.509 -5.114 1.00 0.00 H new ATOM 615 N GLY A 96 -16.214 -3.669 -6.856 1.00 0.00 N ATOM 616 CA GLY A 96 -15.948 -4.017 -8.246 1.00 0.00 C ATOM 617 C GLY A 96 -15.962 -2.777 -9.132 1.00 0.00 C ATOM 618 O GLY A 96 -16.118 -2.873 -10.350 1.00 0.00 O ATOM 0 H GLY A 96 -15.585 -4.104 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.980 -4.512 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.697 -4.727 -8.596 1.00 0.00 H new ATOM 622 N ASN A 97 -15.793 -1.612 -8.514 1.00 0.00 N ATOM 623 CA ASN A 97 -15.783 -0.358 -9.257 1.00 0.00 C ATOM 624 C ASN A 97 -14.487 -0.214 -10.047 1.00 0.00 C ATOM 625 O ASN A 97 -14.370 0.648 -10.917 1.00 0.00 O ATOM 626 CB ASN A 97 -15.931 0.822 -8.295 1.00 0.00 C ATOM 627 CG ASN A 97 -14.914 0.702 -7.165 1.00 0.00 C ATOM 628 OD1 ASN A 97 -14.467 -0.399 -6.844 1.00 0.00 O ATOM 629 ND2 ASN A 97 -14.518 1.777 -6.538 1.00 0.00 N ATOM 0 H ASN A 97 -15.662 -1.511 -7.508 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.621 -0.364 -9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.783 1.760 -8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.941 0.844 -7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.838 1.705 -5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.889 2.689 -6.805 1.00 0.00 H new ATOM 636 N GLY A 98 -13.515 -1.065 -9.738 1.00 0.00 N ATOM 637 CA GLY A 98 -12.230 -1.029 -10.430 1.00 0.00 C ATOM 638 C GLY A 98 -11.280 -0.043 -9.763 1.00 0.00 C ATOM 639 O GLY A 98 -10.266 0.346 -10.343 1.00 0.00 O ATOM 0 H GLY A 98 -13.590 -1.784 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.785 -2.024 -10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.381 -0.746 -11.472 1.00 0.00 H new ATOM 643 N TYR A 99 -11.612 0.359 -8.540 1.00 0.00 N ATOM 644 CA TYR A 99 -10.778 1.301 -7.802 1.00 0.00 C ATOM 645 C TYR A 99 -10.676 0.892 -6.338 1.00 0.00 C ATOM 646 O TYR A 99 -11.642 0.403 -5.750 1.00 0.00 O ATOM 647 CB TYR A 99 -11.367 2.709 -7.903 1.00 0.00 C ATOM 648 CG TYR A 99 -11.393 3.143 -9.348 1.00 0.00 C ATOM 649 CD1 TYR A 99 -10.226 3.629 -9.953 1.00 0.00 C ATOM 650 CD2 TYR A 99 -12.580 3.060 -10.084 1.00 0.00 C ATOM 651 CE1 TYR A 99 -10.249 4.032 -11.294 1.00 0.00 C ATOM 652 CE2 TYR A 99 -12.603 3.463 -11.424 1.00 0.00 C ATOM 653 CZ TYR A 99 -11.437 3.949 -12.029 1.00 0.00 C ATOM 654 OH TYR A 99 -11.459 4.346 -13.351 1.00 0.00 O ATOM 0 H TYR A 99 -12.447 0.050 -8.042 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.779 1.294 -8.239 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.376 2.723 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -10.772 3.407 -7.314 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -9.309 3.693 -9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -13.479 2.685 -9.618 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -9.350 4.407 -11.761 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.520 3.399 -11.991 1.00 0.00 H new ATOM 0 HH TYR A 99 -12.361 4.223 -13.715 1.00 0.00 H new ATOM 664 N ILE A 100 -9.501 1.096 -5.750 1.00 0.00 N ATOM 665 CA ILE A 100 -9.283 0.738 -4.354 1.00 0.00 C ATOM 666 C ILE A 100 -9.363 1.975 -3.466 1.00 0.00 C ATOM 667 O ILE A 100 -8.602 2.927 -3.642 1.00 0.00 O ATOM 668 CB ILE A 100 -7.913 0.078 -4.192 1.00 0.00 C ATOM 669 CG1 ILE A 100 -8.015 -1.405 -4.562 1.00 0.00 C ATOM 670 CG2 ILE A 100 -7.449 0.207 -2.739 1.00 0.00 C ATOM 671 CD1 ILE A 100 -8.633 -1.542 -5.954 1.00 0.00 C ATOM 0 H ILE A 100 -8.691 1.505 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.061 0.037 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.195 0.571 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.026 -1.864 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.624 -1.933 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.473 -0.264 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.376 1.261 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.167 -0.284 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.706 -2.597 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.629 -1.098 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.006 -1.028 -6.683 1.00 0.00 H new ATOM 683 N SER A 101 -10.285 1.954 -2.510 1.00 0.00 N ATOM 684 CA SER A 101 -10.450 3.077 -1.595 1.00 0.00 C ATOM 685 C SER A 101 -9.732 2.806 -0.277 1.00 0.00 C ATOM 686 O SER A 101 -9.130 1.748 -0.093 1.00 0.00 O ATOM 687 CB SER A 101 -11.936 3.319 -1.329 1.00 0.00 C ATOM 688 OG SER A 101 -12.571 2.078 -1.054 1.00 0.00 O ATOM 0 H SER A 101 -10.926 1.177 -2.349 1.00 0.00 H new ATOM 0 HA SER A 101 -10.014 3.964 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.061 3.999 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.399 3.794 -2.193 1.00 0.00 H new ATOM 0 HG SER A 101 -12.760 1.614 -1.896 1.00 0.00 H new ATOM 694 N ALA A 102 -9.801 3.768 0.638 1.00 0.00 N ATOM 695 CA ALA A 102 -9.156 3.620 1.937 1.00 0.00 C ATOM 696 C ALA A 102 -9.712 2.407 2.678 1.00 0.00 C ATOM 697 O ALA A 102 -8.956 1.580 3.188 1.00 0.00 O ATOM 698 CB ALA A 102 -9.383 4.878 2.778 1.00 0.00 C ATOM 0 H ALA A 102 -10.293 4.652 0.505 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.088 3.476 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.898 4.760 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.960 5.741 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.452 5.030 2.923 1.00 0.00 H new ATOM 704 N ALA A 103 -11.038 2.299 2.719 1.00 0.00 N ATOM 705 CA ALA A 103 -11.681 1.184 3.405 1.00 0.00 C ATOM 706 C ALA A 103 -11.085 -0.141 2.935 1.00 0.00 C ATOM 707 O ALA A 103 -10.721 -0.989 3.752 1.00 0.00 O ATOM 708 CB ALA A 103 -13.183 1.197 3.116 1.00 0.00 C ATOM 0 H ALA A 103 -11.682 2.963 2.290 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.514 1.289 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.660 0.362 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.613 2.134 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.348 1.104 2.043 1.00 0.00 H new ATOM 714 N GLU A 104 -10.983 -0.309 1.623 1.00 0.00 N ATOM 715 CA GLU A 104 -10.407 -1.525 1.060 1.00 0.00 C ATOM 716 C GLU A 104 -8.936 -1.647 1.446 1.00 0.00 C ATOM 717 O GLU A 104 -8.433 -2.747 1.674 1.00 0.00 O ATOM 718 CB GLU A 104 -10.538 -1.510 -0.464 1.00 0.00 C ATOM 719 CG GLU A 104 -12.005 -1.695 -0.853 1.00 0.00 C ATOM 720 CD GLU A 104 -12.262 -1.091 -2.229 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.764 -1.641 -3.197 1.00 0.00 O ATOM 722 OE2 GLU A 104 -12.951 -0.087 -2.294 1.00 0.00 O ATOM 0 H GLU A 104 -11.289 0.376 0.932 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.949 -2.381 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.161 -0.568 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.933 -2.305 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.257 -2.756 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.648 -1.220 -0.113 1.00 0.00 H new ATOM 729 N LEU A 105 -8.251 -0.511 1.516 1.00 0.00 N ATOM 730 CA LEU A 105 -6.841 -0.500 1.884 1.00 0.00 C ATOM 731 C LEU A 105 -6.659 -0.999 3.316 1.00 0.00 C ATOM 732 O LEU A 105 -5.634 -1.588 3.654 1.00 0.00 O ATOM 733 CB LEU A 105 -6.277 0.917 1.759 1.00 0.00 C ATOM 734 CG LEU A 105 -4.822 0.848 1.287 1.00 0.00 C ATOM 735 CD1 LEU A 105 -4.013 -0.018 2.255 1.00 0.00 C ATOM 736 CD2 LEU A 105 -4.770 0.231 -0.115 1.00 0.00 C ATOM 0 H LEU A 105 -8.647 0.409 1.324 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.303 -1.164 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.872 1.496 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.335 1.429 2.720 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.400 1.853 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.977 -0.068 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.051 0.419 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.434 -1.023 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.735 0.181 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.191 -0.774 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.347 0.846 -0.805 1.00 0.00 H new ATOM 748 N ARG A 106 -7.656 -0.741 4.154 1.00 0.00 N ATOM 749 CA ARG A 106 -7.587 -1.150 5.554 1.00 0.00 C ATOM 750 C ARG A 106 -7.663 -2.666 5.685 1.00 0.00 C ATOM 751 O ARG A 106 -6.932 -3.269 6.470 1.00 0.00 O ATOM 752 CB ARG A 106 -8.733 -0.509 6.341 1.00 0.00 C ATOM 753 CG ARG A 106 -8.582 -0.842 7.827 1.00 0.00 C ATOM 754 CD ARG A 106 -9.697 -0.158 8.619 1.00 0.00 C ATOM 755 NE ARG A 106 -9.553 -0.444 10.043 1.00 0.00 N ATOM 756 CZ ARG A 106 -10.107 -1.524 10.585 1.00 0.00 C ATOM 757 NH1 ARG A 106 -10.448 -2.532 9.830 1.00 0.00 N ATOM 758 NH2 ARG A 106 -10.308 -1.577 11.874 1.00 0.00 N ATOM 0 H ARG A 106 -8.514 -0.255 3.893 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.632 -0.815 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.727 0.571 6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.691 -0.874 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.626 -1.921 7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.609 -0.510 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.664 0.919 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.668 -0.505 8.267 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.019 0.195 10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.290 -2.492 8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.873 -3.360 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.040 -0.790 12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.733 -2.406 12.290 1.00 0.00 H new ATOM 772 N HIS A 107 -8.550 -3.279 4.906 1.00 0.00 N ATOM 773 CA HIS A 107 -8.721 -4.725 4.952 1.00 0.00 C ATOM 774 C HIS A 107 -7.391 -5.428 4.688 1.00 0.00 C ATOM 775 O HIS A 107 -7.064 -6.419 5.339 1.00 0.00 O ATOM 776 CB HIS A 107 -9.747 -5.162 3.906 1.00 0.00 C ATOM 777 CG HIS A 107 -11.129 -5.088 4.496 1.00 0.00 C ATOM 778 ND1 HIS A 107 -11.752 -6.190 5.060 1.00 0.00 N ATOM 779 CD2 HIS A 107 -12.019 -4.050 4.619 1.00 0.00 C ATOM 780 CE1 HIS A 107 -12.963 -5.793 5.493 1.00 0.00 C ATOM 781 NE2 HIS A 107 -13.177 -4.498 5.248 1.00 0.00 N ATOM 0 H HIS A 107 -9.157 -2.800 4.241 1.00 0.00 H new ATOM 0 HA HIS A 107 -9.075 -5.001 5.945 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -9.681 -4.521 3.027 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -9.535 -6.179 3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.847 -3.039 4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -13.675 -6.443 5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.010 -3.954 5.473 1.00 0.00 H new ATOM 789 N VAL A 108 -6.633 -4.909 3.728 1.00 0.00 N ATOM 790 CA VAL A 108 -5.343 -5.496 3.388 1.00 0.00 C ATOM 791 C VAL A 108 -4.368 -5.362 4.552 1.00 0.00 C ATOM 792 O VAL A 108 -3.722 -6.331 4.948 1.00 0.00 O ATOM 793 CB VAL A 108 -4.764 -4.804 2.153 1.00 0.00 C ATOM 794 CG1 VAL A 108 -3.379 -5.375 1.848 1.00 0.00 C ATOM 795 CG2 VAL A 108 -5.688 -5.042 0.955 1.00 0.00 C ATOM 0 H VAL A 108 -6.887 -4.090 3.176 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.492 -6.555 3.175 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.681 -3.734 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.968 -4.881 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.720 -5.206 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.460 -6.445 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.276 -4.549 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.771 -6.112 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.676 -4.634 1.171 1.00 0.00 H new ATOM 805 N MET A 109 -4.268 -4.154 5.097 1.00 0.00 N ATOM 806 CA MET A 109 -3.365 -3.903 6.216 1.00 0.00 C ATOM 807 C MET A 109 -3.815 -4.675 7.451 1.00 0.00 C ATOM 808 O MET A 109 -2.992 -5.206 8.196 1.00 0.00 O ATOM 809 CB MET A 109 -3.327 -2.407 6.531 1.00 0.00 C ATOM 810 CG MET A 109 -2.783 -1.643 5.322 1.00 0.00 C ATOM 811 SD MET A 109 -1.047 -2.088 5.059 1.00 0.00 S ATOM 812 CE MET A 109 -0.333 -0.928 6.251 1.00 0.00 C ATOM 0 H MET A 109 -4.796 -3.339 4.786 1.00 0.00 H new ATOM 0 HA MET A 109 -2.367 -4.240 5.936 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.327 -2.052 6.779 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.699 -2.224 7.403 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.369 -1.881 4.434 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.874 -0.569 5.486 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.753 -1.020 6.242 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.614 0.090 5.981 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.708 -1.155 7.249 1.00 0.00 H new ATOM 822 N THR A 110 -5.126 -4.735 7.660 1.00 0.00 N ATOM 823 CA THR A 110 -5.676 -5.448 8.807 1.00 0.00 C ATOM 824 C THR A 110 -5.219 -6.903 8.799 1.00 0.00 C ATOM 825 O THR A 110 -4.943 -7.483 9.850 1.00 0.00 O ATOM 826 CB THR A 110 -7.205 -5.390 8.775 1.00 0.00 C ATOM 827 OG1 THR A 110 -7.622 -4.051 8.554 1.00 0.00 O ATOM 828 CG2 THR A 110 -7.764 -5.887 10.110 1.00 0.00 C ATOM 0 H THR A 110 -5.823 -4.302 7.055 1.00 0.00 H new ATOM 0 HA THR A 110 -5.315 -4.969 9.717 1.00 0.00 H new ATOM 0 HB THR A 110 -7.576 -6.024 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.532 -3.833 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.853 -5.845 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.444 -6.915 10.278 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.394 -5.255 10.917 1.00 0.00 H new ATOM 836 N ASN A 111 -5.142 -7.488 7.608 1.00 0.00 N ATOM 837 CA ASN A 111 -4.715 -8.876 7.476 1.00 0.00 C ATOM 838 C ASN A 111 -3.309 -9.060 8.037 1.00 0.00 C ATOM 839 O ASN A 111 -3.020 -10.054 8.704 1.00 0.00 O ATOM 840 CB ASN A 111 -4.736 -9.291 6.004 1.00 0.00 C ATOM 841 CG ASN A 111 -4.290 -10.742 5.865 1.00 0.00 C ATOM 842 OD1 ASN A 111 -3.951 -11.387 6.858 1.00 0.00 O ATOM 843 ND2 ASN A 111 -4.269 -11.299 4.685 1.00 0.00 N ATOM 0 H ASN A 111 -5.368 -7.027 6.727 1.00 0.00 H new ATOM 0 HA ASN A 111 -5.405 -9.503 8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.740 -9.170 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.078 -8.643 5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.972 -12.269 4.584 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.550 -10.764 3.863 1.00 0.00 H new ATOM 850 N LEU A 112 -2.437 -8.094 7.765 1.00 0.00 N ATOM 851 CA LEU A 112 -1.063 -8.159 8.249 1.00 0.00 C ATOM 852 C LEU A 112 -1.012 -7.898 9.751 1.00 0.00 C ATOM 853 O LEU A 112 0.033 -8.052 10.382 1.00 0.00 O ATOM 854 CB LEU A 112 -0.202 -7.128 7.519 1.00 0.00 C ATOM 855 CG LEU A 112 0.278 -7.711 6.189 1.00 0.00 C ATOM 856 CD1 LEU A 112 -0.931 -8.090 5.332 1.00 0.00 C ATOM 857 CD2 LEU A 112 1.120 -6.668 5.451 1.00 0.00 C ATOM 0 H LEU A 112 -2.655 -7.263 7.216 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.675 -9.158 8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.776 -6.219 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.653 -6.851 8.136 1.00 0.00 H new ATOM 0 HG LEU A 112 0.881 -8.599 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.589 -8.505 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.532 -8.832 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.535 -7.203 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.463 -7.082 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.516 -5.780 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.982 -6.398 6.062 1.00 0.00 H new ATOM 869 N GLY A 113 -2.147 -7.499 10.317 1.00 0.00 N ATOM 870 CA GLY A 113 -2.221 -7.227 11.746 1.00 0.00 C ATOM 871 C GLY A 113 -1.877 -5.772 12.043 1.00 0.00 C ATOM 872 O GLY A 113 -1.930 -5.332 13.192 1.00 0.00 O ATOM 0 H GLY A 113 -3.021 -7.358 9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.224 -7.449 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.535 -7.883 12.281 1.00 0.00 H new ATOM 876 N GLU A 114 -1.523 -5.029 10.999 1.00 0.00 N ATOM 877 CA GLU A 114 -1.170 -3.623 11.160 1.00 0.00 C ATOM 878 C GLU A 114 -2.402 -2.799 11.517 1.00 0.00 C ATOM 879 O GLU A 114 -3.397 -2.804 10.791 1.00 0.00 O ATOM 880 CB GLU A 114 -0.554 -3.089 9.866 1.00 0.00 C ATOM 881 CG GLU A 114 0.787 -3.781 9.615 1.00 0.00 C ATOM 882 CD GLU A 114 1.810 -3.329 10.652 1.00 0.00 C ATOM 883 OE1 GLU A 114 1.502 -2.415 11.399 1.00 0.00 O ATOM 884 OE2 GLU A 114 2.886 -3.902 10.682 1.00 0.00 O ATOM 0 H GLU A 114 -1.473 -5.373 10.040 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.445 -3.540 11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.229 -3.267 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.411 -2.011 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.662 -4.863 9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.145 -3.546 8.613 1.00 0.00 H new ATOM 891 N LYS A 115 -2.330 -2.090 12.639 1.00 0.00 N ATOM 892 CA LYS A 115 -3.446 -1.262 13.080 1.00 0.00 C ATOM 893 C LYS A 115 -3.174 0.207 12.778 1.00 0.00 C ATOM 894 O LYS A 115 -2.356 0.848 13.439 1.00 0.00 O ATOM 895 CB LYS A 115 -3.666 -1.442 14.584 1.00 0.00 C ATOM 896 CG LYS A 115 -4.955 -0.730 15.000 1.00 0.00 C ATOM 897 CD LYS A 115 -5.201 -0.950 16.495 1.00 0.00 C ATOM 898 CE LYS A 115 -6.478 -0.219 16.915 1.00 0.00 C ATOM 899 NZ LYS A 115 -7.641 -0.785 16.173 1.00 0.00 N ATOM 0 H LYS A 115 -1.517 -2.072 13.255 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.341 -1.573 12.541 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.728 -2.502 14.829 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.819 -1.036 15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.879 0.336 14.786 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.797 -1.112 14.422 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.293 -2.015 16.706 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.352 -0.583 17.072 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.633 -0.323 17.989 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.385 0.847 16.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.522 -0.536 16.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.661 -0.394 15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.552 -1.820 16.125 1.00 0.00 H new ATOM 913 N LEU A 116 -3.867 0.738 11.775 1.00 0.00 N ATOM 914 CA LEU A 116 -3.692 2.135 11.393 1.00 0.00 C ATOM 915 C LEU A 116 -4.998 2.904 11.568 1.00 0.00 C ATOM 916 O LEU A 116 -6.081 2.317 11.571 1.00 0.00 O ATOM 917 CB LEU A 116 -3.239 2.225 9.934 1.00 0.00 C ATOM 918 CG LEU A 116 -2.010 1.337 9.727 1.00 0.00 C ATOM 919 CD1 LEU A 116 -1.579 1.395 8.261 1.00 0.00 C ATOM 920 CD2 LEU A 116 -0.865 1.835 10.614 1.00 0.00 C ATOM 0 H LEU A 116 -4.550 0.227 11.216 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.932 2.576 12.038 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.045 1.909 9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.002 3.258 9.678 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.257 0.309 9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.704 0.762 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.393 1.041 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.333 2.423 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.011 1.203 10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.619 2.863 10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.170 1.794 11.660 1.00 0.00 H new ATOM 932 N THR A 117 -4.889 4.221 11.717 1.00 0.00 N ATOM 933 CA THR A 117 -6.068 5.061 11.888 1.00 0.00 C ATOM 934 C THR A 117 -6.642 5.464 10.533 1.00 0.00 C ATOM 935 O THR A 117 -6.000 5.283 9.497 1.00 0.00 O ATOM 936 CB THR A 117 -5.703 6.315 12.684 1.00 0.00 C ATOM 937 OG1 THR A 117 -4.861 7.145 11.898 1.00 0.00 O ATOM 938 CG2 THR A 117 -4.973 5.914 13.967 1.00 0.00 C ATOM 0 H THR A 117 -4.003 4.726 11.723 1.00 0.00 H new ATOM 0 HA THR A 117 -6.821 4.491 12.432 1.00 0.00 H new ATOM 0 HB THR A 117 -6.612 6.859 12.941 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.376 7.765 12.482 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.714 6.809 14.533 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.621 5.278 14.570 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.064 5.369 13.713 1.00 0.00 H new ATOM 946 N ASP A 118 -7.851 6.013 10.548 1.00 0.00 N ATOM 947 CA ASP A 118 -8.502 6.439 9.314 1.00 0.00 C ATOM 948 C ASP A 118 -7.717 7.569 8.657 1.00 0.00 C ATOM 949 O ASP A 118 -7.625 7.644 7.432 1.00 0.00 O ATOM 950 CB ASP A 118 -9.928 6.908 9.610 1.00 0.00 C ATOM 951 CG ASP A 118 -10.813 5.710 9.939 1.00 0.00 C ATOM 952 OD1 ASP A 118 -10.386 4.596 9.687 1.00 0.00 O ATOM 953 OD2 ASP A 118 -11.905 5.926 10.439 1.00 0.00 O ATOM 0 H ASP A 118 -8.397 6.173 11.394 1.00 0.00 H new ATOM 0 HA ASP A 118 -8.535 5.590 8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.923 7.608 10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.330 7.442 8.749 1.00 0.00 H new ATOM 958 N GLU A 119 -7.156 8.449 9.480 1.00 0.00 N ATOM 959 CA GLU A 119 -6.382 9.572 8.967 1.00 0.00 C ATOM 960 C GLU A 119 -5.099 9.083 8.304 1.00 0.00 C ATOM 961 O GLU A 119 -4.689 9.600 7.264 1.00 0.00 O ATOM 962 CB GLU A 119 -6.035 10.533 10.107 1.00 0.00 C ATOM 963 CG GLU A 119 -5.289 11.745 9.547 1.00 0.00 C ATOM 964 CD GLU A 119 -5.031 12.757 10.657 1.00 0.00 C ATOM 965 OE1 GLU A 119 -5.246 12.414 11.808 1.00 0.00 O ATOM 966 OE2 GLU A 119 -4.625 13.864 10.341 1.00 0.00 O ATOM 0 H GLU A 119 -7.222 8.407 10.497 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.985 10.093 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.945 10.855 10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.419 10.025 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -4.344 11.429 9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.874 12.207 8.751 1.00 0.00 H new ATOM 973 N GLU A 120 -4.468 8.084 8.912 1.00 0.00 N ATOM 974 CA GLU A 120 -3.225 7.539 8.378 1.00 0.00 C ATOM 975 C GLU A 120 -3.454 6.933 6.998 1.00 0.00 C ATOM 976 O GLU A 120 -2.667 7.151 6.076 1.00 0.00 O ATOM 977 CB GLU A 120 -2.675 6.469 9.322 1.00 0.00 C ATOM 978 CG GLU A 120 -2.118 7.136 10.582 1.00 0.00 C ATOM 979 CD GLU A 120 -1.766 6.077 11.621 1.00 0.00 C ATOM 980 OE1 GLU A 120 -1.938 4.906 11.325 1.00 0.00 O ATOM 981 OE2 GLU A 120 -1.331 6.452 12.697 1.00 0.00 O ATOM 0 H GLU A 120 -4.794 7.638 9.769 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.503 8.351 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.463 5.765 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.892 5.897 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.233 7.721 10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.853 7.829 10.992 1.00 0.00 H new ATOM 988 N VAL A 121 -4.537 6.175 6.862 1.00 0.00 N ATOM 989 CA VAL A 121 -4.862 5.547 5.587 1.00 0.00 C ATOM 990 C VAL A 121 -5.100 6.607 4.515 1.00 0.00 C ATOM 991 O VAL A 121 -4.574 6.510 3.406 1.00 0.00 O ATOM 992 CB VAL A 121 -6.114 4.681 5.735 1.00 0.00 C ATOM 993 CG1 VAL A 121 -6.495 4.095 4.374 1.00 0.00 C ATOM 994 CG2 VAL A 121 -5.832 3.544 6.719 1.00 0.00 C ATOM 0 H VAL A 121 -5.200 5.982 7.613 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.021 4.922 5.286 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.936 5.292 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -7.387 3.478 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.695 4.905 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.674 3.484 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.723 2.926 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.010 2.934 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.561 3.961 7.689 1.00 0.00 H new ATOM 1004 N ASP A 122 -5.893 7.619 4.854 1.00 0.00 N ATOM 1005 CA ASP A 122 -6.189 8.692 3.912 1.00 0.00 C ATOM 1006 C ASP A 122 -4.903 9.376 3.458 1.00 0.00 C ATOM 1007 O ASP A 122 -4.692 9.593 2.265 1.00 0.00 O ATOM 1008 CB ASP A 122 -7.112 9.722 4.569 1.00 0.00 C ATOM 1009 CG ASP A 122 -7.629 10.701 3.521 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -7.159 10.637 2.396 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -8.486 11.500 3.857 1.00 0.00 O ATOM 0 H ASP A 122 -6.339 7.718 5.766 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.685 8.261 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.949 9.217 5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.573 10.261 5.348 1.00 0.00 H new ATOM 1016 N GLU A 123 -4.047 9.713 4.418 1.00 0.00 N ATOM 1017 CA GLU A 123 -2.783 10.370 4.105 1.00 0.00 C ATOM 1018 C GLU A 123 -1.864 9.426 3.336 1.00 0.00 C ATOM 1019 O GLU A 123 -1.156 9.844 2.420 1.00 0.00 O ATOM 1020 CB GLU A 123 -2.094 10.819 5.394 1.00 0.00 C ATOM 1021 CG GLU A 123 -2.913 11.932 6.051 1.00 0.00 C ATOM 1022 CD GLU A 123 -2.879 13.186 5.183 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -1.968 13.302 4.380 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -3.765 14.010 5.332 1.00 0.00 O ATOM 0 H GLU A 123 -4.204 9.544 5.412 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.992 11.241 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -1.993 9.976 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.087 11.175 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -3.943 11.603 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.513 12.154 7.040 1.00 0.00 H new ATOM 1031 N MET A 124 -1.883 8.153 3.714 1.00 0.00 N ATOM 1032 CA MET A 124 -1.054 7.157 3.045 1.00 0.00 C ATOM 1033 C MET A 124 -1.438 7.043 1.573 1.00 0.00 C ATOM 1034 O MET A 124 -0.574 6.914 0.704 1.00 0.00 O ATOM 1035 CB MET A 124 -1.223 5.795 3.725 1.00 0.00 C ATOM 1036 CG MET A 124 -0.194 4.813 3.163 1.00 0.00 C ATOM 1037 SD MET A 124 1.452 5.248 3.778 1.00 0.00 S ATOM 1038 CE MET A 124 2.189 5.664 2.178 1.00 0.00 C ATOM 0 H MET A 124 -2.458 7.788 4.473 1.00 0.00 H new ATOM 0 HA MET A 124 -0.013 7.471 3.115 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.094 5.896 4.803 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.231 5.416 3.559 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.447 3.795 3.459 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.206 4.841 2.073 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.236 5.932 2.318 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.121 4.804 1.512 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.654 6.506 1.739 1.00 0.00 H new ATOM 1048 N ILE A 125 -2.737 7.089 1.300 1.00 0.00 N ATOM 1049 CA ILE A 125 -3.222 6.983 -0.072 1.00 0.00 C ATOM 1050 C ILE A 125 -2.742 8.165 -0.906 1.00 0.00 C ATOM 1051 O ILE A 125 -2.292 7.994 -2.038 1.00 0.00 O ATOM 1052 CB ILE A 125 -4.752 6.939 -0.080 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -5.228 5.621 0.539 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -5.258 7.035 -1.523 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -5.244 4.527 -0.530 1.00 0.00 C ATOM 0 H ILE A 125 -3.468 7.198 2.003 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.827 6.065 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.142 7.776 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.569 5.333 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.225 5.745 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.348 7.004 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.919 7.972 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.868 6.198 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.583 3.590 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.921 4.814 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.239 4.396 -0.931 1.00 0.00 H new ATOM 1067 N ARG A 126 -2.839 9.361 -0.338 1.00 0.00 N ATOM 1068 CA ARG A 126 -2.420 10.568 -1.042 1.00 0.00 C ATOM 1069 C ARG A 126 -0.946 10.480 -1.423 1.00 0.00 C ATOM 1070 O ARG A 126 -0.555 10.869 -2.524 1.00 0.00 O ATOM 1071 CB ARG A 126 -2.651 11.796 -0.160 1.00 0.00 C ATOM 1072 CG ARG A 126 -2.306 13.062 -0.946 1.00 0.00 C ATOM 1073 CD ARG A 126 -2.704 14.294 -0.131 1.00 0.00 C ATOM 1074 NE ARG A 126 -4.156 14.399 -0.053 1.00 0.00 N ATOM 1075 CZ ARG A 126 -4.739 15.208 0.826 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -4.483 16.488 0.806 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -5.569 14.722 1.709 1.00 0.00 N ATOM 0 H ARG A 126 -3.202 9.521 0.602 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.014 10.660 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -3.690 11.831 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.035 11.733 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.239 13.087 -1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.828 13.062 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.283 14.227 0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -2.291 15.192 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.734 13.843 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.835 16.868 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.931 17.108 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.770 13.722 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -6.017 15.342 2.384 1.00 0.00 H new ATOM 1091 N GLU A 127 -0.130 9.970 -0.504 1.00 0.00 N ATOM 1092 CA GLU A 127 1.298 9.832 -0.756 1.00 0.00 C ATOM 1093 C GLU A 127 1.556 8.762 -1.812 1.00 0.00 C ATOM 1094 O GLU A 127 2.421 8.922 -2.673 1.00 0.00 O ATOM 1095 CB GLU A 127 2.024 9.461 0.539 1.00 0.00 C ATOM 1096 CG GLU A 127 1.996 10.652 1.499 1.00 0.00 C ATOM 1097 CD GLU A 127 2.619 10.260 2.833 1.00 0.00 C ATOM 1098 OE1 GLU A 127 3.032 9.119 2.959 1.00 0.00 O ATOM 1099 OE2 GLU A 127 2.675 11.107 3.710 1.00 0.00 O ATOM 0 H GLU A 127 -0.432 9.648 0.415 1.00 0.00 H new ATOM 0 HA GLU A 127 1.676 10.786 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.547 8.597 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.054 9.179 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.541 11.491 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.969 10.983 1.651 1.00 0.00 H new ATOM 1106 N ALA A 128 0.802 7.669 -1.737 1.00 0.00 N ATOM 1107 CA ALA A 128 0.962 6.577 -2.690 1.00 0.00 C ATOM 1108 C ALA A 128 0.291 6.919 -4.016 1.00 0.00 C ATOM 1109 O ALA A 128 0.680 6.413 -5.068 1.00 0.00 O ATOM 1110 CB ALA A 128 0.349 5.295 -2.122 1.00 0.00 C ATOM 0 H ALA A 128 0.080 7.517 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 128 2.027 6.425 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.472 4.484 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.850 5.034 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.713 5.453 -1.932 1.00 0.00 H new ATOM 1116 N ASP A 129 -0.719 7.782 -3.957 1.00 0.00 N ATOM 1117 CA ASP A 129 -1.440 8.180 -5.161 1.00 0.00 C ATOM 1118 C ASP A 129 -0.513 8.910 -6.126 1.00 0.00 C ATOM 1119 O ASP A 129 -0.053 10.016 -5.844 1.00 0.00 O ATOM 1120 CB ASP A 129 -2.612 9.091 -4.789 1.00 0.00 C ATOM 1121 CG ASP A 129 -3.444 9.402 -6.028 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -2.945 9.192 -7.121 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -4.569 9.844 -5.864 1.00 0.00 O ATOM 0 H ASP A 129 -1.054 8.216 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.817 7.281 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -3.234 8.608 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.239 10.016 -4.350 1.00 0.00 H new ATOM 1128 N ILE A 130 -0.241 8.283 -7.265 1.00 0.00 N ATOM 1129 CA ILE A 130 0.635 8.881 -8.265 1.00 0.00 C ATOM 1130 C ILE A 130 -0.038 10.081 -8.922 1.00 0.00 C ATOM 1131 O ILE A 130 0.583 11.125 -9.115 1.00 0.00 O ATOM 1132 CB ILE A 130 0.993 7.847 -9.332 1.00 0.00 C ATOM 1133 CG1 ILE A 130 1.567 6.597 -8.660 1.00 0.00 C ATOM 1134 CG2 ILE A 130 2.037 8.433 -10.286 1.00 0.00 C ATOM 1135 CD1 ILE A 130 1.945 5.568 -9.726 1.00 0.00 C ATOM 0 H ILE A 130 -0.612 7.367 -7.518 1.00 0.00 H new ATOM 0 HA ILE A 130 1.544 9.218 -7.767 1.00 0.00 H new ATOM 0 HB ILE A 130 0.096 7.582 -9.892 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.443 6.860 -8.068 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.834 6.172 -7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.291 7.694 -11.046 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.632 9.323 -10.767 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.933 8.700 -9.726 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.353 4.679 -9.245 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.059 5.296 -10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.693 5.995 -10.395 1.00 0.00 H new ATOM 1147 N ASP A 131 -1.313 9.922 -9.265 1.00 0.00 N ATOM 1148 CA ASP A 131 -2.058 10.994 -9.913 1.00 0.00 C ATOM 1149 C ASP A 131 -2.738 11.881 -8.875 1.00 0.00 C ATOM 1150 O ASP A 131 -3.543 12.748 -9.215 1.00 0.00 O ATOM 1151 CB ASP A 131 -3.112 10.405 -10.853 1.00 0.00 C ATOM 1152 CG ASP A 131 -4.035 9.471 -10.079 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -4.321 9.771 -8.931 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -4.445 8.472 -10.645 1.00 0.00 O ATOM 0 H ASP A 131 -1.848 9.068 -9.106 1.00 0.00 H new ATOM 0 HA ASP A 131 -1.357 11.600 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.692 11.206 -11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -2.626 9.861 -11.663 1.00 0.00 H new ATOM 1159 N GLY A 132 -2.413 11.651 -7.607 1.00 0.00 N ATOM 1160 CA GLY A 132 -2.993 12.443 -6.527 1.00 0.00 C ATOM 1161 C GLY A 132 -4.481 12.674 -6.762 1.00 0.00 C ATOM 1162 O GLY A 132 -5.000 13.757 -6.492 1.00 0.00 O ATOM 0 H GLY A 132 -1.758 10.930 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -2.846 11.931 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -2.479 13.401 -6.456 1.00 0.00 H new ATOM 1166 N ASP A 133 -5.161 11.654 -7.271 1.00 0.00 N ATOM 1167 CA ASP A 133 -6.593 11.756 -7.533 1.00 0.00 C ATOM 1168 C ASP A 133 -7.395 11.326 -6.309 1.00 0.00 C ATOM 1169 O ASP A 133 -8.626 11.326 -6.330 1.00 0.00 O ATOM 1170 CB ASP A 133 -6.970 10.878 -8.728 1.00 0.00 C ATOM 1171 CG ASP A 133 -6.822 9.405 -8.360 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -6.226 9.131 -7.333 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -7.306 8.576 -9.113 1.00 0.00 O ATOM 0 H ASP A 133 -4.748 10.752 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 133 -6.828 12.796 -7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -7.996 11.084 -9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -6.332 11.115 -9.579 1.00 0.00 H new ATOM 1178 N GLY A 134 -6.689 10.957 -5.245 1.00 0.00 N ATOM 1179 CA GLY A 134 -7.346 10.534 -4.013 1.00 0.00 C ATOM 1180 C GLY A 134 -7.745 9.066 -4.086 1.00 0.00 C ATOM 1181 O GLY A 134 -8.300 8.515 -3.135 1.00 0.00 O ATOM 0 H GLY A 134 -5.670 10.942 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.677 10.691 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.230 11.147 -3.839 1.00 0.00 H new ATOM 1185 N GLN A 135 -7.458 8.434 -5.220 1.00 0.00 N ATOM 1186 CA GLN A 135 -7.798 7.029 -5.408 1.00 0.00 C ATOM 1187 C GLN A 135 -6.672 6.299 -6.131 1.00 0.00 C ATOM 1188 O GLN A 135 -5.843 6.918 -6.797 1.00 0.00 O ATOM 1189 CB GLN A 135 -9.090 6.907 -6.220 1.00 0.00 C ATOM 1190 CG GLN A 135 -10.263 7.444 -5.396 1.00 0.00 C ATOM 1191 CD GLN A 135 -11.547 7.383 -6.216 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -11.554 6.839 -7.321 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -12.641 7.909 -5.738 1.00 0.00 N ATOM 0 H GLN A 135 -6.994 8.869 -6.017 1.00 0.00 H new ATOM 0 HA GLN A 135 -7.941 6.575 -4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -9.001 7.465 -7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -9.267 5.865 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -10.376 6.858 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.064 8.472 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -12.633 8.359 -4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -13.504 7.870 -6.280 1.00 0.00 H new ATOM 1202 N VAL A 136 -6.649 4.976 -5.997 1.00 0.00 N ATOM 1203 CA VAL A 136 -5.621 4.169 -6.646 1.00 0.00 C ATOM 1204 C VAL A 136 -6.221 3.374 -7.802 1.00 0.00 C ATOM 1205 O VAL A 136 -7.239 2.700 -7.643 1.00 0.00 O ATOM 1206 CB VAL A 136 -4.992 3.210 -5.636 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -4.093 2.212 -6.369 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -4.156 4.006 -4.632 1.00 0.00 C ATOM 0 H VAL A 136 -7.325 4.443 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.852 4.836 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 136 -5.779 2.670 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.645 1.528 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.687 1.645 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.306 2.751 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.707 3.323 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -3.370 4.545 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -4.795 4.717 -4.109 1.00 0.00 H new ATOM 1218 N ASN A 137 -5.581 3.456 -8.964 1.00 0.00 N ATOM 1219 CA ASN A 137 -6.064 2.746 -10.143 1.00 0.00 C ATOM 1220 C ASN A 137 -5.371 1.394 -10.275 1.00 0.00 C ATOM 1221 O ASN A 137 -4.453 1.080 -9.518 1.00 0.00 O ATOM 1222 CB ASN A 137 -5.805 3.580 -11.399 1.00 0.00 C ATOM 1223 CG ASN A 137 -6.548 2.980 -12.586 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -7.515 2.239 -12.405 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -6.154 3.257 -13.799 1.00 0.00 N ATOM 0 H ASN A 137 -4.733 4.003 -9.114 1.00 0.00 H new ATOM 0 HA ASN A 137 -7.136 2.583 -10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -6.131 4.607 -11.237 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -4.736 3.614 -11.608 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -6.647 2.860 -14.599 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.353 3.871 -13.947 1.00 0.00 H new ATOM 1232 N TYR A 138 -5.816 0.599 -11.243 1.00 0.00 N ATOM 1233 CA TYR A 138 -5.231 -0.719 -11.464 1.00 0.00 C ATOM 1234 C TYR A 138 -3.748 -0.596 -11.804 1.00 0.00 C ATOM 1235 O TYR A 138 -2.909 -1.276 -11.214 1.00 0.00 O ATOM 1236 CB TYR A 138 -5.960 -1.428 -12.607 1.00 0.00 C ATOM 1237 CG TYR A 138 -5.371 -2.805 -12.801 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -5.859 -3.885 -12.055 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -4.340 -3.003 -13.727 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -5.315 -5.163 -12.235 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -3.795 -4.280 -13.906 1.00 0.00 C ATOM 1242 CZ TYR A 138 -4.283 -5.360 -13.161 1.00 0.00 C ATOM 1243 OH TYR A 138 -3.746 -6.619 -13.338 1.00 0.00 O ATOM 0 H TYR A 138 -6.573 0.841 -11.882 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.336 -1.301 -10.549 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.024 -1.504 -12.383 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.869 -0.849 -13.526 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.655 -3.732 -11.341 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -3.965 -2.170 -14.304 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.691 -5.996 -11.660 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.998 -4.432 -14.619 1.00 0.00 H new ATOM 0 HH TYR A 138 -3.041 -6.581 -14.018 1.00 0.00 H new ATOM 1253 N GLU A 139 -3.434 0.276 -12.756 1.00 0.00 N ATOM 1254 CA GLU A 139 -2.048 0.485 -13.160 1.00 0.00 C ATOM 1255 C GLU A 139 -1.222 1.007 -11.989 1.00 0.00 C ATOM 1256 O GLU A 139 -0.054 0.650 -11.832 1.00 0.00 O ATOM 1257 CB GLU A 139 -1.985 1.484 -14.317 1.00 0.00 C ATOM 1258 CG GLU A 139 -2.552 0.838 -15.582 1.00 0.00 C ATOM 1259 CD GLU A 139 -4.075 0.910 -15.569 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -4.619 1.357 -14.572 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -4.676 0.518 -16.555 1.00 0.00 O ATOM 0 H GLU A 139 -4.114 0.846 -13.259 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.636 -0.471 -13.484 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.553 2.381 -14.068 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.954 1.796 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.164 1.346 -16.465 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.230 -0.201 -15.645 1.00 0.00 H new ATOM 1268 N GLU A 140 -1.838 1.855 -11.169 1.00 0.00 N ATOM 1269 CA GLU A 140 -1.149 2.415 -10.013 1.00 0.00 C ATOM 1270 C GLU A 140 -0.835 1.325 -8.993 1.00 0.00 C ATOM 1271 O GLU A 140 0.269 1.265 -8.454 1.00 0.00 O ATOM 1272 CB GLU A 140 -2.020 3.491 -9.360 1.00 0.00 C ATOM 1273 CG GLU A 140 -1.844 4.815 -10.109 1.00 0.00 C ATOM 1274 CD GLU A 140 -2.763 5.876 -9.514 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -2.381 6.475 -8.523 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -3.837 6.073 -10.060 1.00 0.00 O ATOM 0 H GLU A 140 -2.803 2.166 -11.283 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.213 2.858 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.067 3.187 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.742 3.613 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -0.807 5.143 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.070 4.677 -11.166 1.00 0.00 H new ATOM 1283 N PHE A 141 -1.816 0.465 -8.733 1.00 0.00 N ATOM 1284 CA PHE A 141 -1.632 -0.622 -7.778 1.00 0.00 C ATOM 1285 C PHE A 141 -0.529 -1.566 -8.245 1.00 0.00 C ATOM 1286 O PHE A 141 0.368 -1.917 -7.479 1.00 0.00 O ATOM 1287 CB PHE A 141 -2.937 -1.402 -7.617 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.722 -2.555 -6.666 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.387 -2.307 -5.329 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -2.854 -3.872 -7.122 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.187 -3.376 -4.448 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -2.653 -4.940 -6.240 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.320 -4.693 -4.904 1.00 0.00 C ATOM 0 H PHE A 141 -2.739 0.499 -9.166 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.344 -0.192 -6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.721 -0.746 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.273 -1.773 -8.585 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.283 -1.291 -4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -3.111 -4.064 -8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.930 -3.185 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.755 -5.956 -6.591 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.166 -5.518 -4.224 1.00 0.00 H new ATOM 1303 N VAL A 142 -0.592 -1.960 -9.514 1.00 0.00 N ATOM 1304 CA VAL A 142 0.407 -2.865 -10.069 1.00 0.00 C ATOM 1305 C VAL A 142 1.804 -2.271 -9.902 1.00 0.00 C ATOM 1306 O VAL A 142 2.730 -2.961 -9.469 1.00 0.00 O ATOM 1307 CB VAL A 142 0.128 -3.093 -11.559 1.00 0.00 C ATOM 1308 CG1 VAL A 142 1.270 -3.906 -12.173 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -1.186 -3.862 -11.715 1.00 0.00 C ATOM 0 H VAL A 142 -1.317 -1.670 -10.171 1.00 0.00 H new ATOM 0 HA VAL A 142 0.355 -3.815 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 142 0.052 -2.132 -12.068 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.072 -4.069 -13.233 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.207 -3.361 -12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.345 -4.868 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.388 -4.026 -12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.107 -4.823 -11.207 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.000 -3.285 -11.276 1.00 0.00 H new ATOM 1319 N GLN A 143 1.947 -1.000 -10.243 1.00 0.00 N ATOM 1320 CA GLN A 143 3.235 -0.322 -10.108 1.00 0.00 C ATOM 1321 C GLN A 143 3.620 -0.189 -8.638 1.00 0.00 C ATOM 1322 O GLN A 143 4.765 -0.437 -8.262 1.00 0.00 O ATOM 1323 CB GLN A 143 3.164 1.067 -10.747 1.00 0.00 C ATOM 1324 CG GLN A 143 2.996 0.926 -12.260 1.00 0.00 C ATOM 1325 CD GLN A 143 4.281 0.385 -12.880 1.00 0.00 C ATOM 1326 OE1 GLN A 143 5.376 0.772 -12.473 1.00 0.00 O ATOM 1327 NE2 GLN A 143 4.211 -0.491 -13.844 1.00 0.00 N ATOM 0 H GLN A 143 1.196 -0.417 -10.613 1.00 0.00 H new ATOM 0 HA GLN A 143 3.993 -0.918 -10.617 1.00 0.00 H new ATOM 0 HB2 GLN A 143 2.329 1.629 -10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.071 1.629 -10.522 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.166 0.255 -12.481 1.00 0.00 H new ATOM 0 HG3 GLN A 143 2.750 1.893 -12.699 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.302 -0.809 -14.179 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.066 -0.858 -14.263 1.00 0.00 H new ATOM 1336 N MET A 144 2.655 0.201 -7.811 1.00 0.00 N ATOM 1337 CA MET A 144 2.907 0.371 -6.386 1.00 0.00 C ATOM 1338 C MET A 144 3.384 -0.941 -5.769 1.00 0.00 C ATOM 1339 O MET A 144 4.253 -0.948 -4.897 1.00 0.00 O ATOM 1340 CB MET A 144 1.630 0.834 -5.681 1.00 0.00 C ATOM 1341 CG MET A 144 1.966 1.286 -4.259 1.00 0.00 C ATOM 1342 SD MET A 144 0.441 1.430 -3.295 1.00 0.00 S ATOM 1343 CE MET A 144 -0.425 2.562 -4.409 1.00 0.00 C ATOM 0 H MET A 144 1.698 0.404 -8.101 1.00 0.00 H new ATOM 0 HA MET A 144 3.684 1.125 -6.260 1.00 0.00 H new ATOM 0 HB2 MET A 144 1.173 1.653 -6.236 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.903 0.023 -5.654 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.640 0.570 -3.788 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.485 2.244 -4.284 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.191 3.104 -3.854 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.286 3.271 -4.833 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.893 1.994 -5.213 1.00 0.00 H new ATOM 1353 N MET A 145 2.803 -2.048 -6.221 1.00 0.00 N ATOM 1354 CA MET A 145 3.174 -3.358 -5.702 1.00 0.00 C ATOM 1355 C MET A 145 4.519 -3.803 -6.264 1.00 0.00 C ATOM 1356 O MET A 145 5.358 -4.340 -5.541 1.00 0.00 O ATOM 1357 CB MET A 145 2.100 -4.386 -6.067 1.00 0.00 C ATOM 1358 CG MET A 145 2.566 -5.783 -5.654 1.00 0.00 C ATOM 1359 SD MET A 145 3.268 -6.633 -7.090 1.00 0.00 S ATOM 1360 CE MET A 145 4.624 -7.461 -6.224 1.00 0.00 C ATOM 0 H MET A 145 2.079 -2.064 -6.940 1.00 0.00 H new ATOM 0 HA MET A 145 3.257 -3.285 -4.618 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.163 -4.141 -5.567 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.905 -4.359 -7.139 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.310 -5.710 -4.861 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.728 -6.354 -5.253 1.00 0.00 H new ATOM 0 HE1 MET A 145 4.891 -8.374 -6.755 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.489 -6.798 -6.184 1.00 0.00 H new ATOM 0 HE3 MET A 145 4.310 -7.710 -5.210 1.00 0.00 H new ATOM 1370 N THR A 146 4.717 -3.577 -7.559 1.00 0.00 N ATOM 1371 CA THR A 146 5.963 -3.963 -8.210 1.00 0.00 C ATOM 1372 C THR A 146 6.988 -2.838 -8.115 1.00 0.00 C ATOM 1373 O THR A 146 8.106 -2.961 -8.614 1.00 0.00 O ATOM 1374 CB THR A 146 5.702 -4.298 -9.680 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.890 -5.461 -9.763 1.00 0.00 O ATOM 1376 CG2 THR A 146 7.033 -4.550 -10.392 1.00 0.00 C ATOM 0 H THR A 146 4.036 -3.132 -8.174 1.00 0.00 H new ATOM 0 HA THR A 146 6.359 -4.843 -7.703 1.00 0.00 H new ATOM 0 HB THR A 146 5.190 -3.463 -10.158 1.00 0.00 H new ATOM 0 HG1 THR A 146 4.525 -5.669 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 146 6.846 -4.789 -11.439 1.00 0.00 H new ATOM 0 HG22 THR A 146 7.654 -3.657 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 146 7.548 -5.385 -9.916 1.00 0.00 H new