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+ 174:sc= 1.15 (180deg=1.06) USER MOD Single : A 97 ASN : amide:sc= -1.1 K(o=-1.1,f=-13!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -74:sc= 0.638 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -157:sc= -1.79 (180deg=-3.13!) USER MOD Single : A 110 THR OG1 : rot 1:sc= -0.158 USER MOD Single : A 111 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.403 USER MOD Single : A 124 MET CE :methyl -163:sc=-0.00841 (180deg=-0.574) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 137 ASN : amide:sc= -2.91! C(o=-2.9!,f=-4.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 143 GLN : amide:sc= -0.507 K(o=-0.51,f=-1.2) USER MOD Single : A 144 MET CE :methyl -155:sc= -0.165 (180deg=-1.82) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 91:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 0.105 -15.004 -7.716 1.00 0.00 N ATOM 382 CA GLU A 82 -0.278 -14.090 -8.785 1.00 0.00 C ATOM 383 C GLU A 82 -1.791 -14.094 -8.974 1.00 0.00 C ATOM 384 O GLU A 82 -2.402 -13.045 -9.174 1.00 0.00 O ATOM 385 CB GLU A 82 0.398 -14.507 -10.093 1.00 0.00 C ATOM 386 CG GLU A 82 0.063 -13.492 -11.190 1.00 0.00 C ATOM 387 CD GLU A 82 0.795 -13.854 -12.477 1.00 0.00 C ATOM 388 OE1 GLU A 82 1.674 -14.698 -12.419 1.00 0.00 O ATOM 389 OE2 GLU A 82 0.471 -13.277 -13.502 1.00 0.00 O ATOM 0 HA GLU A 82 0.043 -13.085 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.478 -14.565 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.061 -15.501 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.013 -13.476 -11.366 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.348 -12.490 -10.869 1.00 0.00 H new ATOM 396 N GLU A 83 -2.391 -15.280 -8.910 1.00 0.00 N ATOM 397 CA GLU A 83 -3.832 -15.403 -9.080 1.00 0.00 C ATOM 398 C GLU A 83 -4.572 -14.710 -7.940 1.00 0.00 C ATOM 399 O GLU A 83 -5.581 -14.043 -8.161 1.00 0.00 O ATOM 400 CB GLU A 83 -4.225 -16.881 -9.121 1.00 0.00 C ATOM 401 CG GLU A 83 -5.724 -17.006 -9.404 1.00 0.00 C ATOM 402 CD GLU A 83 -6.120 -18.476 -9.484 1.00 0.00 C ATOM 403 OE1 GLU A 83 -5.232 -19.304 -9.604 1.00 0.00 O ATOM 404 OE2 GLU A 83 -7.307 -18.753 -9.422 1.00 0.00 O ATOM 0 H GLU A 83 -1.905 -16.161 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.110 -14.924 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.655 -17.398 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.983 -17.359 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.293 -16.510 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.969 -16.504 -10.340 1.00 0.00 H new ATOM 411 N GLU A 84 -4.065 -14.876 -6.724 1.00 0.00 N ATOM 412 CA GLU A 84 -4.688 -14.266 -5.558 1.00 0.00 C ATOM 413 C GLU A 84 -4.626 -12.746 -5.650 1.00 0.00 C ATOM 414 O GLU A 84 -5.548 -12.051 -5.223 1.00 0.00 O ATOM 415 CB GLU A 84 -3.982 -14.736 -4.285 1.00 0.00 C ATOM 416 CG GLU A 84 -4.315 -16.207 -4.021 1.00 0.00 C ATOM 417 CD GLU A 84 -5.778 -16.348 -3.618 1.00 0.00 C ATOM 418 OE1 GLU A 84 -6.349 -15.362 -3.183 1.00 0.00 O ATOM 419 OE2 GLU A 84 -6.311 -17.436 -3.762 1.00 0.00 O ATOM 0 H GLU A 84 -3.229 -15.425 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.734 -14.571 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.904 -14.610 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.294 -14.125 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.117 -16.799 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.673 -16.597 -3.231 1.00 0.00 H new ATOM 426 N ILE A 85 -3.536 -12.237 -6.211 1.00 0.00 N ATOM 427 CA ILE A 85 -3.371 -10.796 -6.352 1.00 0.00 C ATOM 428 C ILE A 85 -4.453 -10.225 -7.263 1.00 0.00 C ATOM 429 O ILE A 85 -5.051 -9.193 -6.957 1.00 0.00 O ATOM 430 CB ILE A 85 -1.995 -10.488 -6.942 1.00 0.00 C ATOM 431 CG1 ILE A 85 -0.910 -10.857 -5.926 1.00 0.00 C ATOM 432 CG2 ILE A 85 -1.889 -8.996 -7.268 1.00 0.00 C ATOM 433 CD1 ILE A 85 0.472 -10.799 -6.598 1.00 0.00 C ATOM 0 H ILE A 85 -2.761 -12.793 -6.572 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.457 -10.337 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.861 -11.069 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.942 -10.171 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.092 -11.857 -5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.906 -8.784 -7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.658 -8.726 -7.991 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.027 -8.414 -6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.241 -11.062 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.502 -11.503 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.654 -9.791 -6.970 1.00 0.00 H new ATOM 445 N ARG A 86 -4.700 -10.898 -8.386 1.00 0.00 N ATOM 446 CA ARG A 86 -5.711 -10.442 -9.327 1.00 0.00 C ATOM 447 C ARG A 86 -7.091 -10.459 -8.679 1.00 0.00 C ATOM 448 O ARG A 86 -7.848 -9.496 -8.785 1.00 0.00 O ATOM 449 CB ARG A 86 -5.713 -11.344 -10.561 1.00 0.00 C ATOM 450 CG ARG A 86 -4.457 -11.080 -11.394 1.00 0.00 C ATOM 451 CD ARG A 86 -4.436 -12.020 -12.601 1.00 0.00 C ATOM 452 NE ARG A 86 -5.564 -11.733 -13.484 1.00 0.00 N ATOM 453 CZ ARG A 86 -5.489 -10.779 -14.407 1.00 0.00 C ATOM 454 NH1 ARG A 86 -4.436 -10.010 -14.466 1.00 0.00 N ATOM 455 NH2 ARG A 86 -6.468 -10.612 -15.254 1.00 0.00 N ATOM 0 H ARG A 86 -4.217 -11.753 -8.661 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.475 -9.420 -9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.747 -12.391 -10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.604 -11.156 -11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.441 -10.042 -11.728 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.566 -11.233 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.499 -11.903 -13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.482 -13.056 -12.265 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.424 -12.274 -13.391 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.671 -10.141 -13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.378 -9.278 -15.174 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.291 -11.213 -15.208 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.410 -9.880 -15.962 1.00 0.00 H new ATOM 469 N GLU A 87 -7.407 -11.560 -8.003 1.00 0.00 N ATOM 470 CA GLU A 87 -8.700 -11.690 -7.339 1.00 0.00 C ATOM 471 C GLU A 87 -8.801 -10.713 -6.171 1.00 0.00 C ATOM 472 O GLU A 87 -9.835 -10.079 -5.968 1.00 0.00 O ATOM 473 CB GLU A 87 -8.881 -13.122 -6.830 1.00 0.00 C ATOM 474 CG GLU A 87 -8.883 -14.090 -8.014 1.00 0.00 C ATOM 475 CD GLU A 87 -10.109 -13.847 -8.887 1.00 0.00 C ATOM 476 OE1 GLU A 87 -11.202 -13.831 -8.347 1.00 0.00 O ATOM 477 OE2 GLU A 87 -9.937 -13.681 -10.084 1.00 0.00 O ATOM 0 H GLU A 87 -6.792 -12.368 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.485 -11.459 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.077 -13.378 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.816 -13.207 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.975 -13.958 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.882 -15.118 -7.653 1.00 0.00 H new ATOM 484 N ALA A 88 -7.718 -10.597 -5.408 1.00 0.00 N ATOM 485 CA ALA A 88 -7.702 -9.701 -4.257 1.00 0.00 C ATOM 486 C ALA A 88 -8.059 -8.286 -4.691 1.00 0.00 C ATOM 487 O ALA A 88 -8.739 -7.558 -3.969 1.00 0.00 O ATOM 488 CB ALA A 88 -6.310 -9.702 -3.620 1.00 0.00 C ATOM 0 H ALA A 88 -6.848 -11.107 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.436 -10.049 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.303 -9.031 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.060 -10.712 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.575 -9.364 -4.351 1.00 0.00 H new ATOM 494 N PHE A 89 -7.601 -7.898 -5.878 1.00 0.00 N ATOM 495 CA PHE A 89 -7.884 -6.564 -6.395 1.00 0.00 C ATOM 496 C PHE A 89 -9.391 -6.341 -6.500 1.00 0.00 C ATOM 497 O PHE A 89 -9.904 -5.304 -6.080 1.00 0.00 O ATOM 498 CB PHE A 89 -7.249 -6.398 -7.778 1.00 0.00 C ATOM 499 CG PHE A 89 -7.368 -4.958 -8.216 1.00 0.00 C ATOM 500 CD1 PHE A 89 -6.557 -3.980 -7.628 1.00 0.00 C ATOM 501 CD2 PHE A 89 -8.288 -4.599 -9.209 1.00 0.00 C ATOM 502 CE1 PHE A 89 -6.665 -2.643 -8.032 1.00 0.00 C ATOM 503 CE2 PHE A 89 -8.395 -3.262 -9.614 1.00 0.00 C ATOM 504 CZ PHE A 89 -7.583 -2.283 -9.024 1.00 0.00 C ATOM 0 H PHE A 89 -7.037 -8.483 -6.495 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.464 -5.830 -5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.201 -6.694 -7.747 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.743 -7.050 -8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.847 -4.257 -6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.915 -5.353 -9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.039 -1.890 -7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.103 -2.985 -10.381 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.666 -1.252 -9.335 1.00 0.00 H new ATOM 514 N ARG A 90 -10.097 -7.321 -7.055 1.00 0.00 N ATOM 515 CA ARG A 90 -11.545 -7.216 -7.202 1.00 0.00 C ATOM 516 C ARG A 90 -12.214 -7.064 -5.844 1.00 0.00 C ATOM 517 O ARG A 90 -13.102 -6.231 -5.670 1.00 0.00 O ATOM 518 CB ARG A 90 -12.085 -8.464 -7.905 1.00 0.00 C ATOM 519 CG ARG A 90 -11.679 -8.440 -9.389 1.00 0.00 C ATOM 520 CD ARG A 90 -12.744 -7.697 -10.199 1.00 0.00 C ATOM 521 NE ARG A 90 -13.998 -8.441 -10.179 1.00 0.00 N ATOM 522 CZ ARG A 90 -15.143 -7.868 -10.537 1.00 0.00 C ATOM 523 NH1 ARG A 90 -15.156 -6.986 -11.499 1.00 0.00 N ATOM 524 NH2 ARG A 90 -16.251 -8.185 -9.926 1.00 0.00 N ATOM 0 H ARG A 90 -9.695 -8.190 -7.408 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.769 -6.333 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.694 -9.361 -7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.171 -8.502 -7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.712 -7.950 -9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.567 -9.458 -9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.897 -6.700 -9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.405 -7.567 -11.227 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.997 -9.418 -9.885 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.289 -6.737 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.034 -6.545 -11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.239 -8.873 -9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.129 -7.745 -10.201 1.00 0.00 H new ATOM 538 N VAL A 91 -11.779 -7.871 -4.885 1.00 0.00 N ATOM 539 CA VAL A 91 -12.341 -7.815 -3.541 1.00 0.00 C ATOM 540 C VAL A 91 -12.106 -6.439 -2.926 1.00 0.00 C ATOM 541 O VAL A 91 -12.997 -5.870 -2.296 1.00 0.00 O ATOM 542 CB VAL A 91 -11.701 -8.890 -2.660 1.00 0.00 C ATOM 543 CG1 VAL A 91 -12.216 -8.750 -1.224 1.00 0.00 C ATOM 544 CG2 VAL A 91 -12.065 -10.274 -3.200 1.00 0.00 C ATOM 0 H VAL A 91 -11.044 -8.567 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.414 -7.995 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.618 -8.769 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.759 -9.516 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.956 -7.764 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.299 -8.870 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.610 -11.041 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.148 -10.395 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.697 -10.375 -4.221 1.00 0.00 H new ATOM 554 N GLU A 92 -10.901 -5.912 -3.111 1.00 0.00 N ATOM 555 CA GLU A 92 -10.560 -4.603 -2.566 1.00 0.00 C ATOM 556 C GLU A 92 -11.277 -3.504 -3.340 1.00 0.00 C ATOM 557 O GLU A 92 -11.535 -2.424 -2.810 1.00 0.00 O ATOM 558 CB GLU A 92 -9.048 -4.381 -2.648 1.00 0.00 C ATOM 559 CG GLU A 92 -8.339 -5.349 -1.701 1.00 0.00 C ATOM 560 CD GLU A 92 -6.828 -5.202 -1.841 1.00 0.00 C ATOM 561 OE1 GLU A 92 -6.403 -4.395 -2.650 1.00 0.00 O ATOM 562 OE2 GLU A 92 -6.117 -5.900 -1.136 1.00 0.00 O ATOM 0 H GLU A 92 -10.149 -6.366 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.876 -4.568 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.702 -4.536 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.806 -3.352 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.638 -5.149 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.635 -6.374 -1.926 1.00 0.00 H new ATOM 569 N ASP A 93 -11.597 -3.785 -4.602 1.00 0.00 N ATOM 570 CA ASP A 93 -12.286 -2.807 -5.441 1.00 0.00 C ATOM 571 C ASP A 93 -13.798 -2.946 -5.295 1.00 0.00 C ATOM 572 O ASP A 93 -14.490 -3.336 -6.234 1.00 0.00 O ATOM 573 CB ASP A 93 -11.894 -3.010 -6.906 1.00 0.00 C ATOM 574 CG ASP A 93 -12.317 -1.798 -7.731 1.00 0.00 C ATOM 575 OD1 ASP A 93 -12.657 -0.787 -7.136 1.00 0.00 O ATOM 576 OD2 ASP A 93 -12.294 -1.898 -8.946 1.00 0.00 O ATOM 0 H ASP A 93 -11.393 -4.672 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.991 -1.808 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.817 -3.157 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.368 -3.910 -7.297 1.00 0.00 H new ATOM 581 N LYS A 94 -14.306 -2.620 -4.109 1.00 0.00 N ATOM 582 CA LYS A 94 -15.736 -2.713 -3.851 1.00 0.00 C ATOM 583 C LYS A 94 -16.512 -1.859 -4.848 1.00 0.00 C ATOM 584 O LYS A 94 -17.602 -2.230 -5.282 1.00 0.00 O ATOM 585 CB LYS A 94 -16.039 -2.246 -2.424 1.00 0.00 C ATOM 586 CG LYS A 94 -15.704 -0.760 -2.288 1.00 0.00 C ATOM 587 CD LYS A 94 -15.861 -0.331 -0.830 1.00 0.00 C ATOM 588 CE LYS A 94 -15.515 1.155 -0.695 1.00 0.00 C ATOM 589 NZ LYS A 94 -16.665 1.977 -1.167 1.00 0.00 N ATOM 0 H LYS A 94 -13.752 -2.292 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.044 -3.752 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -17.090 -2.415 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -15.457 -2.827 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.684 -0.574 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.362 -0.169 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.883 -0.509 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.208 -0.927 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.286 1.393 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.624 1.387 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.472 2.982 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.799 1.832 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.527 1.691 -0.661 1.00 0.00 H new ATOM 603 N ASP A 95 -15.944 -0.708 -5.202 1.00 0.00 N ATOM 604 CA ASP A 95 -16.600 0.193 -6.144 1.00 0.00 C ATOM 605 C ASP A 95 -16.386 -0.292 -7.574 1.00 0.00 C ATOM 606 O ASP A 95 -16.915 0.286 -8.522 1.00 0.00 O ATOM 607 CB ASP A 95 -16.027 1.603 -5.996 1.00 0.00 C ATOM 608 CG ASP A 95 -15.980 1.998 -4.525 1.00 0.00 C ATOM 609 OD1 ASP A 95 -17.039 2.144 -3.936 1.00 0.00 O ATOM 610 OD2 ASP A 95 -14.883 2.143 -4.008 1.00 0.00 O ATOM 0 H ASP A 95 -15.042 -0.381 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 95 -17.668 0.208 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -15.025 1.643 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.640 2.313 -6.552 1.00 0.00 H new ATOM 615 N GLY A 96 -15.612 -1.364 -7.721 1.00 0.00 N ATOM 616 CA GLY A 96 -15.339 -1.923 -9.041 1.00 0.00 C ATOM 617 C GLY A 96 -14.962 -0.825 -10.029 1.00 0.00 C ATOM 618 O GLY A 96 -15.065 -1.007 -11.242 1.00 0.00 O ATOM 0 H GLY A 96 -15.166 -1.859 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.529 -2.650 -8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.217 -2.458 -9.403 1.00 0.00 H new ATOM 622 N ASN A 97 -14.524 0.314 -9.503 1.00 0.00 N ATOM 623 CA ASN A 97 -14.135 1.435 -10.350 1.00 0.00 C ATOM 624 C ASN A 97 -12.756 1.198 -10.954 1.00 0.00 C ATOM 625 O ASN A 97 -12.332 1.917 -11.859 1.00 0.00 O ATOM 626 CB ASN A 97 -14.118 2.726 -9.530 1.00 0.00 C ATOM 627 CG ASN A 97 -13.200 2.566 -8.323 1.00 0.00 C ATOM 628 OD1 ASN A 97 -12.660 1.485 -8.091 1.00 0.00 O ATOM 629 ND2 ASN A 97 -12.988 3.586 -7.535 1.00 0.00 N ATOM 0 H ASN A 97 -14.430 0.485 -8.502 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.862 1.525 -11.157 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.776 3.555 -10.149 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.128 2.970 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.374 3.487 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.436 4.482 -7.728 1.00 0.00 H new ATOM 636 N GLY A 98 -12.060 0.184 -10.451 1.00 0.00 N ATOM 637 CA GLY A 98 -10.726 -0.136 -10.948 1.00 0.00 C ATOM 638 C GLY A 98 -9.669 0.687 -10.226 1.00 0.00 C ATOM 639 O GLY A 98 -8.548 0.841 -10.711 1.00 0.00 O ATOM 0 H GLY A 98 -12.394 -0.426 -9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.525 -1.198 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.676 0.058 -12.019 1.00 0.00 H new ATOM 643 N TYR A 99 -10.026 1.210 -9.057 1.00 0.00 N ATOM 644 CA TYR A 99 -9.091 2.012 -8.270 1.00 0.00 C ATOM 645 C TYR A 99 -9.268 1.726 -6.786 1.00 0.00 C ATOM 646 O TYR A 99 -10.378 1.457 -6.321 1.00 0.00 O ATOM 647 CB TYR A 99 -9.328 3.499 -8.535 1.00 0.00 C ATOM 648 CG TYR A 99 -9.171 3.775 -10.011 1.00 0.00 C ATOM 649 CD1 TYR A 99 -7.920 4.121 -10.531 1.00 0.00 C ATOM 650 CD2 TYR A 99 -10.281 3.686 -10.858 1.00 0.00 C ATOM 651 CE1 TYR A 99 -7.777 4.377 -11.900 1.00 0.00 C ATOM 652 CE2 TYR A 99 -10.139 3.941 -12.228 1.00 0.00 C ATOM 653 CZ TYR A 99 -8.887 4.287 -12.749 1.00 0.00 C ATOM 654 OH TYR A 99 -8.746 4.538 -14.098 1.00 0.00 O ATOM 0 H TYR A 99 -10.948 1.095 -8.635 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.075 1.749 -8.564 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.327 3.784 -8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.620 4.099 -7.964 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.064 4.191 -9.876 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -11.247 3.421 -10.455 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.811 4.644 -12.301 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.995 3.871 -12.882 1.00 0.00 H new ATOM 0 HH TYR A 99 -9.613 4.431 -14.543 1.00 0.00 H new ATOM 664 N ILE A 100 -8.166 1.786 -6.039 1.00 0.00 N ATOM 665 CA ILE A 100 -8.211 1.533 -4.597 1.00 0.00 C ATOM 666 C ILE A 100 -7.974 2.826 -3.827 1.00 0.00 C ATOM 667 O ILE A 100 -6.879 3.387 -3.850 1.00 0.00 O ATOM 668 CB ILE A 100 -7.141 0.508 -4.218 1.00 0.00 C ATOM 669 CG1 ILE A 100 -7.363 -0.776 -5.020 1.00 0.00 C ATOM 670 CG2 ILE A 100 -7.242 0.196 -2.724 1.00 0.00 C ATOM 671 CD1 ILE A 100 -6.168 -1.711 -4.827 1.00 0.00 C ATOM 0 H ILE A 100 -7.239 2.005 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.196 1.143 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.153 0.912 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.279 -1.268 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.487 -0.540 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.480 -0.534 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.089 1.110 -2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.229 -0.210 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.326 -2.626 -5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.260 -1.218 -5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.065 -1.956 -3.770 1.00 0.00 H new ATOM 683 N SER A 101 -9.010 3.293 -3.135 1.00 0.00 N ATOM 684 CA SER A 101 -8.908 4.521 -2.350 1.00 0.00 C ATOM 685 C SER A 101 -8.418 4.215 -0.937 1.00 0.00 C ATOM 686 O SER A 101 -8.195 3.057 -0.585 1.00 0.00 O ATOM 687 CB SER A 101 -10.268 5.213 -2.282 1.00 0.00 C ATOM 688 OG SER A 101 -11.262 4.262 -1.926 1.00 0.00 O ATOM 0 H SER A 101 -9.925 2.843 -3.101 1.00 0.00 H new ATOM 0 HA SER A 101 -8.190 5.181 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.242 6.020 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.508 5.664 -3.245 1.00 0.00 H new ATOM 0 HG SER A 101 -11.450 3.682 -2.693 1.00 0.00 H new ATOM 694 N ALA A 102 -8.256 5.261 -0.134 1.00 0.00 N ATOM 695 CA ALA A 102 -7.793 5.093 1.237 1.00 0.00 C ATOM 696 C ALA A 102 -8.742 4.184 2.016 1.00 0.00 C ATOM 697 O ALA A 102 -8.306 3.294 2.744 1.00 0.00 O ATOM 698 CB ALA A 102 -7.706 6.454 1.930 1.00 0.00 C ATOM 0 H ALA A 102 -8.437 6.227 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.805 4.634 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.359 6.319 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.006 7.093 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.691 6.921 1.939 1.00 0.00 H new ATOM 704 N ALA A 103 -10.041 4.414 1.854 1.00 0.00 N ATOM 705 CA ALA A 103 -11.043 3.612 2.545 1.00 0.00 C ATOM 706 C ALA A 103 -10.843 2.131 2.236 1.00 0.00 C ATOM 707 O ALA A 103 -10.844 1.295 3.138 1.00 0.00 O ATOM 708 CB ALA A 103 -12.446 4.041 2.113 1.00 0.00 C ATOM 0 H ALA A 103 -10.423 5.145 1.254 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.932 3.768 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.188 3.436 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.597 5.092 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -12.554 3.901 1.038 1.00 0.00 H new ATOM 714 N GLU A 104 -10.660 1.817 0.957 1.00 0.00 N ATOM 715 CA GLU A 104 -10.449 0.432 0.541 1.00 0.00 C ATOM 716 C GLU A 104 -9.098 -0.073 1.038 1.00 0.00 C ATOM 717 O GLU A 104 -8.974 -1.213 1.483 1.00 0.00 O ATOM 718 CB GLU A 104 -10.507 0.333 -0.982 1.00 0.00 C ATOM 719 CG GLU A 104 -11.938 0.584 -1.458 1.00 0.00 C ATOM 720 CD GLU A 104 -11.943 0.913 -2.946 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.713 0.011 -3.730 1.00 0.00 O ATOM 722 OE2 GLU A 104 -12.173 2.063 -3.279 1.00 0.00 O ATOM 0 H GLU A 104 -10.653 2.495 0.195 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.236 -0.186 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.831 1.061 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.173 -0.653 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.552 -0.297 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.379 1.406 -0.894 1.00 0.00 H new ATOM 729 N LEU A 105 -8.095 0.790 0.977 1.00 0.00 N ATOM 730 CA LEU A 105 -6.762 0.435 1.438 1.00 0.00 C ATOM 731 C LEU A 105 -6.777 0.125 2.930 1.00 0.00 C ATOM 732 O LEU A 105 -5.954 -0.648 3.424 1.00 0.00 O ATOM 733 CB LEU A 105 -5.778 1.576 1.160 1.00 0.00 C ATOM 734 CG LEU A 105 -4.398 1.228 1.733 1.00 0.00 C ATOM 735 CD1 LEU A 105 -3.911 -0.100 1.138 1.00 0.00 C ATOM 736 CD2 LEU A 105 -3.407 2.338 1.385 1.00 0.00 C ATOM 0 H LEU A 105 -8.179 1.739 0.613 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.441 -0.453 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.702 1.749 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.144 2.500 1.607 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.471 1.132 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.931 -0.344 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.617 -0.892 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.839 -0.009 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.426 2.091 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.336 2.436 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.751 3.280 1.813 1.00 0.00 H new ATOM 748 N ARG A 106 -7.705 0.748 3.647 1.00 0.00 N ATOM 749 CA ARG A 106 -7.813 0.537 5.085 1.00 0.00 C ATOM 750 C ARG A 106 -8.296 -0.880 5.391 1.00 0.00 C ATOM 751 O ARG A 106 -7.826 -1.517 6.333 1.00 0.00 O ATOM 752 CB ARG A 106 -8.779 1.559 5.690 1.00 0.00 C ATOM 753 CG ARG A 106 -8.809 1.400 7.212 1.00 0.00 C ATOM 754 CD ARG A 106 -9.767 2.428 7.813 1.00 0.00 C ATOM 755 NE ARG A 106 -9.248 3.776 7.619 1.00 0.00 N ATOM 756 CZ ARG A 106 -9.953 4.843 7.981 1.00 0.00 C ATOM 757 NH1 ARG A 106 -10.923 4.722 8.847 1.00 0.00 N ATOM 758 NH2 ARG A 106 -9.676 6.012 7.470 1.00 0.00 N ATOM 0 H ARG A 106 -8.389 1.398 3.260 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.825 0.667 5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.467 2.570 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.779 1.417 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.128 0.392 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.808 1.536 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.748 2.338 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.901 2.232 8.877 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.328 3.903 7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.140 3.809 9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.464 5.541 9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.919 6.106 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.217 6.831 7.748 1.00 0.00 H new ATOM 772 N HIS A 107 -9.252 -1.353 4.603 1.00 0.00 N ATOM 773 CA HIS A 107 -9.810 -2.686 4.815 1.00 0.00 C ATOM 774 C HIS A 107 -8.694 -3.727 4.799 1.00 0.00 C ATOM 775 O HIS A 107 -8.683 -4.651 5.611 1.00 0.00 O ATOM 776 CB HIS A 107 -10.830 -3.004 3.709 1.00 0.00 C ATOM 777 CG HIS A 107 -12.167 -2.420 4.073 1.00 0.00 C ATOM 778 ND1 HIS A 107 -13.344 -3.138 3.947 1.00 0.00 N ATOM 779 CD2 HIS A 107 -12.526 -1.192 4.569 1.00 0.00 C ATOM 780 CE1 HIS A 107 -14.348 -2.343 4.358 1.00 0.00 C ATOM 781 NE2 HIS A 107 -13.904 -1.144 4.748 1.00 0.00 N ATOM 0 H HIS A 107 -9.655 -0.841 3.818 1.00 0.00 H new ATOM 0 HA HIS A 107 -10.308 -2.712 5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -10.490 -2.595 2.758 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.916 -4.083 3.579 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.842 -0.385 4.787 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -15.387 -2.638 4.371 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.457 -0.363 5.101 1.00 0.00 H new ATOM 789 N VAL A 108 -7.759 -3.574 3.870 1.00 0.00 N ATOM 790 CA VAL A 108 -6.642 -4.505 3.766 1.00 0.00 C ATOM 791 C VAL A 108 -5.748 -4.403 5.000 1.00 0.00 C ATOM 792 O VAL A 108 -5.324 -5.415 5.555 1.00 0.00 O ATOM 793 CB VAL A 108 -5.824 -4.203 2.510 1.00 0.00 C ATOM 794 CG1 VAL A 108 -4.587 -5.104 2.475 1.00 0.00 C ATOM 795 CG2 VAL A 108 -6.681 -4.466 1.269 1.00 0.00 C ATOM 0 H VAL A 108 -7.751 -2.820 3.183 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.039 -5.518 3.701 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.512 -3.159 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.005 -4.888 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.976 -4.918 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.898 -6.149 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.099 -4.251 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.993 -5.510 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.562 -3.824 1.292 1.00 0.00 H new ATOM 805 N MET A 109 -5.458 -3.172 5.417 1.00 0.00 N ATOM 806 CA MET A 109 -4.611 -2.950 6.581 1.00 0.00 C ATOM 807 C MET A 109 -5.275 -3.504 7.838 1.00 0.00 C ATOM 808 O MET A 109 -4.619 -4.132 8.669 1.00 0.00 O ATOM 809 CB MET A 109 -4.343 -1.453 6.751 1.00 0.00 C ATOM 810 CG MET A 109 -3.410 -1.234 7.942 1.00 0.00 C ATOM 811 SD MET A 109 -3.000 0.522 8.074 1.00 0.00 S ATOM 812 CE MET A 109 -4.425 1.014 9.076 1.00 0.00 C ATOM 0 H MET A 109 -5.795 -2.320 4.968 1.00 0.00 H new ATOM 0 HA MET A 109 -3.665 -3.470 6.428 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.894 -1.048 5.844 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.281 -0.920 6.907 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.888 -1.576 8.860 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.501 -1.822 7.818 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.610 2.080 8.946 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.304 0.452 8.760 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.220 0.807 10.126 1.00 0.00 H new ATOM 822 N THR A 110 -6.576 -3.265 7.971 1.00 0.00 N ATOM 823 CA THR A 110 -7.311 -3.738 9.135 1.00 0.00 C ATOM 824 C THR A 110 -7.159 -5.247 9.278 1.00 0.00 C ATOM 825 O THR A 110 -7.104 -5.771 10.390 1.00 0.00 O ATOM 826 CB THR A 110 -8.792 -3.383 8.987 1.00 0.00 C ATOM 827 OG1 THR A 110 -9.245 -3.768 7.699 1.00 0.00 O ATOM 828 CG2 THR A 110 -8.986 -1.876 9.171 1.00 0.00 C ATOM 0 H THR A 110 -7.138 -2.751 7.292 1.00 0.00 H new ATOM 0 HA THR A 110 -6.908 -3.257 10.026 1.00 0.00 H new ATOM 0 HB THR A 110 -9.366 -3.912 9.747 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.509 -4.184 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 110 -10.042 -1.629 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.643 -1.584 10.164 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.411 -1.340 8.416 1.00 0.00 H new ATOM 836 N ASN A 111 -7.073 -5.938 8.147 1.00 0.00 N ATOM 837 CA ASN A 111 -6.908 -7.387 8.157 1.00 0.00 C ATOM 838 C ASN A 111 -5.560 -7.763 8.770 1.00 0.00 C ATOM 839 O ASN A 111 -5.440 -8.776 9.459 1.00 0.00 O ATOM 840 CB ASN A 111 -7.000 -7.936 6.734 1.00 0.00 C ATOM 841 CG ASN A 111 -6.885 -9.457 6.754 1.00 0.00 C ATOM 842 OD1 ASN A 111 -6.514 -10.040 7.773 1.00 0.00 O ATOM 843 ND2 ASN A 111 -7.184 -10.137 5.682 1.00 0.00 N ATOM 0 H ASN A 111 -7.114 -5.522 7.217 1.00 0.00 H new ATOM 0 HA ASN A 111 -7.704 -7.823 8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.947 -7.640 6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.207 -7.511 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.111 -11.154 5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.491 -9.651 4.839 1.00 0.00 H new ATOM 850 N LEU A 112 -4.546 -6.942 8.508 1.00 0.00 N ATOM 851 CA LEU A 112 -3.210 -7.199 9.038 1.00 0.00 C ATOM 852 C LEU A 112 -3.185 -6.988 10.543 1.00 0.00 C ATOM 853 O LEU A 112 -2.449 -7.663 11.263 1.00 0.00 O ATOM 854 CB LEU A 112 -2.198 -6.264 8.373 1.00 0.00 C ATOM 855 CG LEU A 112 -2.315 -6.383 6.852 1.00 0.00 C ATOM 856 CD1 LEU A 112 -1.361 -5.389 6.187 1.00 0.00 C ATOM 857 CD2 LEU A 112 -1.952 -7.812 6.416 1.00 0.00 C ATOM 0 H LEU A 112 -4.622 -6.100 7.937 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.945 -8.234 8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.380 -5.235 8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.187 -6.519 8.692 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.339 -6.162 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.444 -5.474 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.621 -4.375 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.337 -5.609 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.036 -7.894 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.929 -8.036 6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.633 -8.520 6.888 1.00 0.00 H new ATOM 869 N GLY A 113 -4.001 -6.052 11.020 1.00 0.00 N ATOM 870 CA GLY A 113 -4.072 -5.766 12.452 1.00 0.00 C ATOM 871 C GLY A 113 -3.188 -4.583 12.814 1.00 0.00 C ATOM 872 O GLY A 113 -2.740 -4.460 13.955 1.00 0.00 O ATOM 0 H GLY A 113 -4.618 -5.482 10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.103 -5.554 12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.761 -6.644 13.018 1.00 0.00 H new ATOM 876 N GLU A 114 -2.937 -3.711 11.839 1.00 0.00 N ATOM 877 CA GLU A 114 -2.100 -2.535 12.072 1.00 0.00 C ATOM 878 C GLU A 114 -2.962 -1.283 12.136 1.00 0.00 C ATOM 879 O GLU A 114 -3.884 -1.111 11.340 1.00 0.00 O ATOM 880 CB GLU A 114 -1.066 -2.399 10.946 1.00 0.00 C ATOM 881 CG GLU A 114 0.159 -1.646 11.467 1.00 0.00 C ATOM 882 CD GLU A 114 0.933 -2.527 12.443 1.00 0.00 C ATOM 883 OE1 GLU A 114 0.574 -3.686 12.575 1.00 0.00 O ATOM 884 OE2 GLU A 114 1.868 -2.029 13.046 1.00 0.00 O ATOM 0 H GLU A 114 -3.297 -3.795 10.888 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.580 -2.655 13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.774 -3.385 10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.501 -1.866 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.801 -1.359 10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.152 -0.726 11.962 1.00 0.00 H new ATOM 891 N LYS A 115 -2.659 -0.409 13.093 1.00 0.00 N ATOM 892 CA LYS A 115 -3.421 0.826 13.262 1.00 0.00 C ATOM 893 C LYS A 115 -2.598 2.031 12.832 1.00 0.00 C ATOM 894 O LYS A 115 -1.659 2.427 13.518 1.00 0.00 O ATOM 895 CB LYS A 115 -3.824 0.986 14.726 1.00 0.00 C ATOM 896 CG LYS A 115 -4.844 -0.095 15.095 1.00 0.00 C ATOM 897 CD LYS A 115 -5.230 0.048 16.569 1.00 0.00 C ATOM 898 CE LYS A 115 -6.282 -1.005 16.926 1.00 0.00 C ATOM 899 NZ LYS A 115 -6.647 -0.873 18.365 1.00 0.00 N ATOM 0 H LYS A 115 -1.896 -0.531 13.759 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.312 0.768 12.637 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.946 0.907 15.367 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.251 1.975 14.891 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.729 -0.004 14.466 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.424 -1.084 14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.350 -0.074 17.200 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.622 1.047 16.758 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.167 -0.877 16.302 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.894 -2.004 16.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.362 -1.588 18.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.801 -1.015 18.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.034 0.077 18.539 1.00 0.00 H new ATOM 913 N LEU A 116 -2.957 2.617 11.692 1.00 0.00 N ATOM 914 CA LEU A 116 -2.255 3.790 11.175 1.00 0.00 C ATOM 915 C LEU A 116 -3.168 5.008 11.192 1.00 0.00 C ATOM 916 O LEU A 116 -4.387 4.888 11.079 1.00 0.00 O ATOM 917 CB LEU A 116 -1.777 3.523 9.740 1.00 0.00 C ATOM 918 CG LEU A 116 -0.442 2.780 9.775 1.00 0.00 C ATOM 919 CD1 LEU A 116 -0.614 1.426 10.474 1.00 0.00 C ATOM 920 CD2 LEU A 116 0.058 2.564 8.345 1.00 0.00 C ATOM 0 H LEU A 116 -3.730 2.299 11.108 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.394 3.988 11.813 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.519 2.933 9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.667 4.464 9.201 1.00 0.00 H new ATOM 0 HG LEU A 116 0.285 3.374 10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.342 0.903 10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.963 1.585 11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.344 0.826 9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.010 2.034 8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.672 1.975 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.192 3.529 7.857 1.00 0.00 H new ATOM 932 N THR A 117 -2.563 6.183 11.334 1.00 0.00 N ATOM 933 CA THR A 117 -3.329 7.424 11.365 1.00 0.00 C ATOM 934 C THR A 117 -3.770 7.810 9.959 1.00 0.00 C ATOM 935 O THR A 117 -3.265 7.279 8.970 1.00 0.00 O ATOM 936 CB THR A 117 -2.480 8.548 11.962 1.00 0.00 C ATOM 937 OG1 THR A 117 -1.412 8.851 11.078 1.00 0.00 O ATOM 938 CG2 THR A 117 -1.915 8.102 13.312 1.00 0.00 C ATOM 0 H THR A 117 -1.554 6.302 11.429 1.00 0.00 H new ATOM 0 HA THR A 117 -4.213 7.270 11.984 1.00 0.00 H new ATOM 0 HB THR A 117 -3.098 9.434 12.105 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.780 9.454 11.523 1.00 0.00 H new ATOM 0 HG21 THR A 117 -1.310 8.904 13.736 1.00 0.00 H new ATOM 0 HG22 THR A 117 -2.735 7.868 13.991 1.00 0.00 H new ATOM 0 HG23 THR A 117 -1.296 7.216 13.172 1.00 0.00 H new ATOM 946 N ASP A 118 -4.721 8.731 9.876 1.00 0.00 N ATOM 947 CA ASP A 118 -5.232 9.171 8.584 1.00 0.00 C ATOM 948 C ASP A 118 -4.126 9.832 7.767 1.00 0.00 C ATOM 949 O ASP A 118 -4.050 9.648 6.552 1.00 0.00 O ATOM 950 CB ASP A 118 -6.386 10.164 8.792 1.00 0.00 C ATOM 951 CG ASP A 118 -7.684 9.414 9.088 1.00 0.00 C ATOM 952 OD1 ASP A 118 -7.688 8.200 8.976 1.00 0.00 O ATOM 953 OD2 ASP A 118 -8.658 10.067 9.421 1.00 0.00 O ATOM 0 H ASP A 118 -5.152 9.185 10.681 1.00 0.00 H new ATOM 0 HA ASP A 118 -5.596 8.300 8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.151 10.838 9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -6.509 10.781 7.902 1.00 0.00 H new ATOM 958 N GLU A 119 -3.286 10.613 8.435 1.00 0.00 N ATOM 959 CA GLU A 119 -2.203 11.307 7.759 1.00 0.00 C ATOM 960 C GLU A 119 -1.187 10.310 7.211 1.00 0.00 C ATOM 961 O GLU A 119 -0.676 10.476 6.104 1.00 0.00 O ATOM 962 CB GLU A 119 -1.509 12.261 8.731 1.00 0.00 C ATOM 963 CG GLU A 119 -0.476 13.097 7.975 1.00 0.00 C ATOM 964 CD GLU A 119 0.214 14.066 8.930 1.00 0.00 C ATOM 965 OE1 GLU A 119 -0.290 14.246 10.026 1.00 0.00 O ATOM 966 OE2 GLU A 119 1.238 14.611 8.553 1.00 0.00 O ATOM 0 H GLU A 119 -3.335 10.780 9.440 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.623 11.875 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.243 12.912 9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.023 11.696 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.263 12.444 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.962 13.650 7.171 1.00 0.00 H new ATOM 973 N GLU A 120 -0.896 9.277 7.994 1.00 0.00 N ATOM 974 CA GLU A 120 0.066 8.264 7.576 1.00 0.00 C ATOM 975 C GLU A 120 -0.395 7.577 6.298 1.00 0.00 C ATOM 976 O GLU A 120 0.395 7.364 5.381 1.00 0.00 O ATOM 977 CB GLU A 120 0.240 7.222 8.688 1.00 0.00 C ATOM 978 CG GLU A 120 1.123 7.797 9.798 1.00 0.00 C ATOM 979 CD GLU A 120 1.209 6.810 10.958 1.00 0.00 C ATOM 980 OE1 GLU A 120 0.650 5.732 10.835 1.00 0.00 O ATOM 981 OE2 GLU A 120 1.832 7.147 11.950 1.00 0.00 O ATOM 0 H GLU A 120 -1.308 9.120 8.914 1.00 0.00 H new ATOM 0 HA GLU A 120 1.020 8.754 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.733 6.941 9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.691 6.316 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.121 8.004 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.713 8.745 10.146 1.00 0.00 H new ATOM 988 N VAL A 121 -1.674 7.234 6.243 1.00 0.00 N ATOM 989 CA VAL A 121 -2.225 6.571 5.070 1.00 0.00 C ATOM 990 C VAL A 121 -2.102 7.467 3.842 1.00 0.00 C ATOM 991 O VAL A 121 -1.729 7.009 2.763 1.00 0.00 O ATOM 992 CB VAL A 121 -3.697 6.222 5.311 1.00 0.00 C ATOM 993 CG1 VAL A 121 -4.328 5.719 4.009 1.00 0.00 C ATOM 994 CG2 VAL A 121 -3.793 5.127 6.375 1.00 0.00 C ATOM 0 H VAL A 121 -2.346 7.402 6.992 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.661 5.655 4.893 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.227 7.112 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.375 5.472 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.261 6.497 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.797 4.830 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.840 4.878 6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.260 4.240 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.347 5.482 7.304 1.00 0.00 H new ATOM 1004 N ASP A 122 -2.439 8.741 4.009 1.00 0.00 N ATOM 1005 CA ASP A 122 -2.381 9.687 2.902 1.00 0.00 C ATOM 1006 C ASP A 122 -0.968 9.766 2.338 1.00 0.00 C ATOM 1007 O ASP A 122 -0.774 9.768 1.122 1.00 0.00 O ATOM 1008 CB ASP A 122 -2.818 11.072 3.378 1.00 0.00 C ATOM 1009 CG ASP A 122 -3.049 11.987 2.180 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -3.906 11.669 1.372 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -2.364 12.993 2.086 1.00 0.00 O ATOM 0 H ASP A 122 -2.753 9.140 4.894 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.054 9.341 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.732 10.992 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.056 11.499 4.030 1.00 0.00 H new ATOM 1016 N GLU A 123 0.013 9.828 3.226 1.00 0.00 N ATOM 1017 CA GLU A 123 1.408 9.908 2.806 1.00 0.00 C ATOM 1018 C GLU A 123 1.830 8.627 2.096 1.00 0.00 C ATOM 1019 O GLU A 123 2.606 8.665 1.142 1.00 0.00 O ATOM 1020 CB GLU A 123 2.310 10.140 4.020 1.00 0.00 C ATOM 1021 CG GLU A 123 2.058 11.539 4.584 1.00 0.00 C ATOM 1022 CD GLU A 123 2.881 11.747 5.850 1.00 0.00 C ATOM 1023 OE1 GLU A 123 3.642 10.857 6.192 1.00 0.00 O ATOM 1024 OE2 GLU A 123 2.741 12.796 6.459 1.00 0.00 O ATOM 0 H GLU A 123 -0.127 9.825 4.236 1.00 0.00 H new ATOM 0 HA GLU A 123 1.509 10.744 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 123 2.111 9.388 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.357 10.035 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.321 12.292 3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.998 11.666 4.805 1.00 0.00 H new ATOM 1031 N MET A 124 1.320 7.496 2.572 1.00 0.00 N ATOM 1032 CA MET A 124 1.655 6.208 1.977 1.00 0.00 C ATOM 1033 C MET A 124 1.190 6.148 0.524 1.00 0.00 C ATOM 1034 O MET A 124 1.887 5.618 -0.343 1.00 0.00 O ATOM 1035 CB MET A 124 1.003 5.075 2.776 1.00 0.00 C ATOM 1036 CG MET A 124 1.826 4.795 4.036 1.00 0.00 C ATOM 1037 SD MET A 124 1.095 3.407 4.937 1.00 0.00 S ATOM 1038 CE MET A 124 2.491 3.100 6.047 1.00 0.00 C ATOM 0 H MET A 124 0.678 7.445 3.363 1.00 0.00 H new ATOM 0 HA MET A 124 2.738 6.090 2.002 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.016 5.349 3.049 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.939 4.175 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.857 4.565 3.766 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.852 5.681 4.670 1.00 0.00 H new ATOM 0 HE1 MET A 124 2.394 2.108 6.488 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.423 3.157 5.484 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.498 3.850 6.838 1.00 0.00 H new ATOM 1048 N ILE A 125 0.002 6.677 0.266 1.00 0.00 N ATOM 1049 CA ILE A 125 -0.545 6.672 -1.079 1.00 0.00 C ATOM 1050 C ILE A 125 0.279 7.555 -2.000 1.00 0.00 C ATOM 1051 O ILE A 125 0.549 7.194 -3.147 1.00 0.00 O ATOM 1052 CB ILE A 125 -1.993 7.170 -1.054 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -2.855 6.177 -0.269 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -2.527 7.280 -2.487 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -2.864 4.803 -0.968 1.00 0.00 C ATOM 0 H ILE A 125 -0.597 7.112 0.968 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.515 5.650 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.030 8.150 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.469 6.074 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.873 6.556 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.557 7.635 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.913 7.983 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.490 6.301 -2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.481 4.109 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.272 4.909 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.846 4.419 -1.028 1.00 0.00 H new ATOM 1067 N ARG A 126 0.651 8.728 -1.508 1.00 0.00 N ATOM 1068 CA ARG A 126 1.422 9.670 -2.310 1.00 0.00 C ATOM 1069 C ARG A 126 2.788 9.103 -2.677 1.00 0.00 C ATOM 1070 O ARG A 126 3.198 9.153 -3.836 1.00 0.00 O ATOM 1071 CB ARG A 126 1.609 10.980 -1.536 1.00 0.00 C ATOM 1072 CG ARG A 126 0.277 11.732 -1.464 1.00 0.00 C ATOM 1073 CD ARG A 126 0.473 13.048 -0.706 1.00 0.00 C ATOM 1074 NE ARG A 126 -0.785 13.784 -0.640 1.00 0.00 N ATOM 1075 CZ ARG A 126 -0.811 15.069 -0.303 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -0.147 15.943 -1.009 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -1.502 15.458 0.734 1.00 0.00 N ATOM 0 H ARG A 126 0.434 9.050 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 126 0.869 9.855 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.974 10.771 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.361 11.599 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.095 11.931 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -0.472 11.119 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.837 12.845 0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.231 13.653 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.659 13.304 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.392 15.640 -1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -0.167 16.929 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.022 14.775 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.522 16.444 0.993 1.00 0.00 H new ATOM 1091 N GLU A 127 3.483 8.569 -1.682 1.00 0.00 N ATOM 1092 CA GLU A 127 4.805 7.999 -1.905 1.00 0.00 C ATOM 1093 C GLU A 127 4.712 6.693 -2.686 1.00 0.00 C ATOM 1094 O GLU A 127 5.566 6.397 -3.522 1.00 0.00 O ATOM 1095 CB GLU A 127 5.506 7.759 -0.568 1.00 0.00 C ATOM 1096 CG GLU A 127 4.796 6.640 0.180 1.00 0.00 C ATOM 1097 CD GLU A 127 5.331 6.534 1.605 1.00 0.00 C ATOM 1098 OE1 GLU A 127 5.564 7.568 2.207 1.00 0.00 O ATOM 1099 OE2 GLU A 127 5.505 5.419 2.071 1.00 0.00 O ATOM 0 H GLU A 127 3.156 8.518 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 127 5.387 8.709 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.550 7.495 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.499 8.672 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.723 6.830 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.942 5.694 -0.342 1.00 0.00 H new ATOM 1106 N ALA A 128 3.682 5.911 -2.391 1.00 0.00 N ATOM 1107 CA ALA A 128 3.493 4.630 -3.057 1.00 0.00 C ATOM 1108 C ALA A 128 3.058 4.830 -4.504 1.00 0.00 C ATOM 1109 O ALA A 128 3.376 4.019 -5.373 1.00 0.00 O ATOM 1110 CB ALA A 128 2.441 3.803 -2.312 1.00 0.00 C ATOM 0 H ALA A 128 2.968 6.140 -1.699 1.00 0.00 H new ATOM 0 HA ALA A 128 4.444 4.098 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.306 2.846 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.773 3.629 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.495 4.344 -2.300 1.00 0.00 H new ATOM 1116 N ASP A 129 2.328 5.913 -4.750 1.00 0.00 N ATOM 1117 CA ASP A 129 1.854 6.211 -6.096 1.00 0.00 C ATOM 1118 C ASP A 129 3.015 6.638 -6.987 1.00 0.00 C ATOM 1119 O ASP A 129 3.700 7.622 -6.705 1.00 0.00 O ATOM 1120 CB ASP A 129 0.803 7.321 -6.046 1.00 0.00 C ATOM 1121 CG ASP A 129 0.277 7.606 -7.448 1.00 0.00 C ATOM 1122 OD1 ASP A 129 1.059 7.529 -8.377 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -0.899 7.899 -7.572 1.00 0.00 O ATOM 0 H ASP A 129 2.054 6.593 -4.041 1.00 0.00 H new ATOM 0 HA ASP A 129 1.405 5.310 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -0.019 7.026 -5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 129 1.238 8.226 -5.621 1.00 0.00 H new ATOM 1128 N ILE A 130 3.238 5.886 -8.059 1.00 0.00 N ATOM 1129 CA ILE A 130 4.330 6.188 -8.976 1.00 0.00 C ATOM 1130 C ILE A 130 4.067 7.488 -9.729 1.00 0.00 C ATOM 1131 O ILE A 130 4.957 8.329 -9.863 1.00 0.00 O ATOM 1132 CB ILE A 130 4.494 5.046 -9.982 1.00 0.00 C ATOM 1133 CG1 ILE A 130 4.673 3.727 -9.228 1.00 0.00 C ATOM 1134 CG2 ILE A 130 5.730 5.304 -10.848 1.00 0.00 C ATOM 1135 CD1 ILE A 130 4.619 2.560 -10.215 1.00 0.00 C ATOM 0 H ILE A 130 2.682 5.069 -8.313 1.00 0.00 H new ATOM 0 HA ILE A 130 5.243 6.301 -8.391 1.00 0.00 H new ATOM 0 HB ILE A 130 3.609 4.989 -10.615 1.00 0.00 H new ATOM 0 HG12 ILE A 130 5.626 3.725 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 130 3.891 3.617 -8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 130 5.848 4.491 -11.565 1.00 0.00 H new ATOM 0 HG22 ILE A 130 5.609 6.246 -11.383 1.00 0.00 H new ATOM 0 HG23 ILE A 130 6.614 5.359 -10.213 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.747 1.621 -9.676 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.655 2.558 -10.724 1.00 0.00 H new ATOM 0 HD13 ILE A 130 5.417 2.668 -10.950 1.00 0.00 H new ATOM 1147 N ASP A 131 2.844 7.641 -10.227 1.00 0.00 N ATOM 1148 CA ASP A 131 2.475 8.834 -10.982 1.00 0.00 C ATOM 1149 C ASP A 131 1.898 9.901 -10.061 1.00 0.00 C ATOM 1150 O ASP A 131 1.332 10.890 -10.525 1.00 0.00 O ATOM 1151 CB ASP A 131 1.460 8.470 -12.067 1.00 0.00 C ATOM 1152 CG ASP A 131 0.407 7.529 -11.499 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -0.040 7.775 -10.395 1.00 0.00 O ATOM 1154 OD2 ASP A 131 0.057 6.582 -12.181 1.00 0.00 O ATOM 0 H ASP A 131 2.094 6.957 -10.122 1.00 0.00 H new ATOM 0 HA ASP A 131 3.372 9.237 -11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.984 9.373 -12.450 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.968 7.997 -12.907 1.00 0.00 H new ATOM 1159 N GLY A 132 2.046 9.695 -8.758 1.00 0.00 N ATOM 1160 CA GLY A 132 1.547 10.657 -7.784 1.00 0.00 C ATOM 1161 C GLY A 132 0.156 11.149 -8.161 1.00 0.00 C ATOM 1162 O GLY A 132 -0.105 12.351 -8.164 1.00 0.00 O ATOM 0 H GLY A 132 2.503 8.878 -8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 132 1.518 10.197 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 132 2.231 11.504 -7.721 1.00 0.00 H new ATOM 1166 N ASP A 133 -0.731 10.216 -8.493 1.00 0.00 N ATOM 1167 CA ASP A 133 -2.092 10.576 -8.881 1.00 0.00 C ATOM 1168 C ASP A 133 -2.976 10.713 -7.647 1.00 0.00 C ATOM 1169 O ASP A 133 -4.134 11.117 -7.744 1.00 0.00 O ATOM 1170 CB ASP A 133 -2.671 9.503 -9.802 1.00 0.00 C ATOM 1171 CG ASP A 133 -1.896 9.464 -11.112 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -1.208 10.432 -11.401 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -1.996 8.463 -11.803 1.00 0.00 O ATOM 0 H ASP A 133 -0.536 9.215 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.062 11.531 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -2.624 8.530 -9.314 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -3.723 9.711 -9.999 1.00 0.00 H new ATOM 1178 N GLY A 134 -2.423 10.375 -6.485 1.00 0.00 N ATOM 1179 CA GLY A 134 -3.174 10.459 -5.236 1.00 0.00 C ATOM 1180 C GLY A 134 -3.992 9.197 -5.014 1.00 0.00 C ATOM 1181 O GLY A 134 -4.590 9.011 -3.954 1.00 0.00 O ATOM 0 H GLY A 134 -1.464 10.043 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.487 10.604 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.834 11.326 -5.260 1.00 0.00 H new ATOM 1185 N GLN A 135 -4.020 8.326 -6.018 1.00 0.00 N ATOM 1186 CA GLN A 135 -4.776 7.075 -5.920 1.00 0.00 C ATOM 1187 C GLN A 135 -3.999 5.936 -6.566 1.00 0.00 C ATOM 1188 O GLN A 135 -3.161 6.155 -7.446 1.00 0.00 O ATOM 1189 CB GLN A 135 -6.131 7.230 -6.612 1.00 0.00 C ATOM 1190 CG GLN A 135 -6.999 8.211 -5.820 1.00 0.00 C ATOM 1191 CD GLN A 135 -8.323 8.435 -6.540 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -8.603 7.779 -7.544 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -9.157 9.332 -6.090 1.00 0.00 N ATOM 0 H GLN A 135 -3.533 8.459 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 135 -4.933 6.844 -4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -5.992 7.592 -7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -6.628 6.263 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.182 7.821 -4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -6.475 9.159 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -8.923 9.874 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -10.043 9.491 -6.570 1.00 0.00 H new ATOM 1202 N VAL A 136 -4.284 4.713 -6.128 1.00 0.00 N ATOM 1203 CA VAL A 136 -3.605 3.539 -6.671 1.00 0.00 C ATOM 1204 C VAL A 136 -4.405 2.947 -7.824 1.00 0.00 C ATOM 1205 O VAL A 136 -5.580 2.616 -7.673 1.00 0.00 O ATOM 1206 CB VAL A 136 -3.433 2.484 -5.577 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -2.772 1.237 -6.169 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -2.552 3.046 -4.461 1.00 0.00 C ATOM 0 H VAL A 136 -4.974 4.509 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 136 -2.626 3.846 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 136 -4.410 2.220 -5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.649 0.485 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.400 0.836 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -1.796 1.501 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.429 2.295 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.576 3.311 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.022 3.934 -4.038 1.00 0.00 H new ATOM 1218 N ASN A 137 -3.758 2.814 -8.979 1.00 0.00 N ATOM 1219 CA ASN A 137 -4.414 2.252 -10.159 1.00 0.00 C ATOM 1220 C ASN A 137 -4.075 0.772 -10.304 1.00 0.00 C ATOM 1221 O ASN A 137 -3.218 0.249 -9.590 1.00 0.00 O ATOM 1222 CB ASN A 137 -3.971 3.006 -11.412 1.00 0.00 C ATOM 1223 CG ASN A 137 -4.677 2.435 -12.637 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -4.024 1.991 -13.581 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -5.981 2.418 -12.678 1.00 0.00 N ATOM 0 H ASN A 137 -2.786 3.086 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.492 2.356 -10.038 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.202 4.066 -11.310 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.891 2.925 -11.533 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -6.461 2.036 -13.493 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -6.521 2.786 -11.895 1.00 0.00 H new ATOM 1232 N TYR A 138 -4.751 0.103 -11.232 1.00 0.00 N ATOM 1233 CA TYR A 138 -4.513 -1.318 -11.460 1.00 0.00 C ATOM 1234 C TYR A 138 -3.059 -1.556 -11.857 1.00 0.00 C ATOM 1235 O TYR A 138 -2.386 -2.420 -11.297 1.00 0.00 O ATOM 1236 CB TYR A 138 -5.434 -1.827 -12.569 1.00 0.00 C ATOM 1237 CG TYR A 138 -5.161 -3.291 -12.819 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -5.621 -4.252 -11.910 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -4.447 -3.689 -13.956 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -5.369 -5.609 -12.139 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -4.195 -5.047 -14.185 1.00 0.00 C ATOM 1242 CZ TYR A 138 -4.655 -6.007 -13.276 1.00 0.00 C ATOM 1243 OH TYR A 138 -4.407 -7.345 -13.502 1.00 0.00 O ATOM 0 H TYR A 138 -5.462 0.517 -11.834 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.722 -1.858 -10.537 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.476 -1.684 -12.285 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.271 -1.255 -13.482 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.170 -3.946 -11.032 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -4.091 -2.948 -14.656 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.725 -6.350 -11.439 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.646 -5.354 -15.063 1.00 0.00 H new ATOM 0 HH TYR A 138 -3.901 -7.448 -14.335 1.00 0.00 H new ATOM 1253 N GLU A 139 -2.577 -0.774 -12.821 1.00 0.00 N ATOM 1254 CA GLU A 139 -1.199 -0.906 -13.280 1.00 0.00 C ATOM 1255 C GLU A 139 -0.234 -0.671 -12.122 1.00 0.00 C ATOM 1256 O GLU A 139 0.769 -1.371 -11.983 1.00 0.00 O ATOM 1257 CB GLU A 139 -0.920 0.102 -14.396 1.00 0.00 C ATOM 1258 CG GLU A 139 -1.743 -0.267 -15.631 1.00 0.00 C ATOM 1259 CD GLU A 139 -1.503 0.753 -16.739 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -0.776 1.702 -16.497 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -2.051 0.570 -17.813 1.00 0.00 O ATOM 0 H GLU A 139 -3.116 -0.049 -13.295 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.054 -1.916 -13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.174 1.109 -14.064 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.142 0.105 -14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.469 -1.264 -15.977 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.802 -0.298 -15.377 1.00 0.00 H new ATOM 1268 N GLU A 140 -0.543 0.316 -11.289 1.00 0.00 N ATOM 1269 CA GLU A 140 0.303 0.627 -10.141 1.00 0.00 C ATOM 1270 C GLU A 140 0.195 -0.474 -9.091 1.00 0.00 C ATOM 1271 O GLU A 140 1.184 -0.826 -8.449 1.00 0.00 O ATOM 1272 CB GLU A 140 -0.123 1.969 -9.530 1.00 0.00 C ATOM 1273 CG GLU A 140 0.471 3.121 -10.350 1.00 0.00 C ATOM 1274 CD GLU A 140 -0.317 4.401 -10.101 1.00 0.00 C ATOM 1275 OE1 GLU A 140 0.019 5.109 -9.168 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -1.251 4.650 -10.846 1.00 0.00 O ATOM 0 H GLU A 140 -1.366 0.911 -11.385 1.00 0.00 H new ATOM 0 HA GLU A 140 1.338 0.695 -10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.210 2.044 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.216 2.033 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 140 1.516 3.270 -10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.449 2.872 -11.411 1.00 0.00 H new ATOM 1283 N PHE A 141 -1.013 -1.005 -8.916 1.00 0.00 N ATOM 1284 CA PHE A 141 -1.230 -2.059 -7.935 1.00 0.00 C ATOM 1285 C PHE A 141 -0.397 -3.289 -8.282 1.00 0.00 C ATOM 1286 O PHE A 141 0.326 -3.819 -7.440 1.00 0.00 O ATOM 1287 CB PHE A 141 -2.715 -2.434 -7.898 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.924 -3.571 -6.926 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.692 -3.371 -5.559 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -3.349 -4.822 -7.389 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.886 -4.424 -4.657 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -3.542 -5.872 -6.488 1.00 0.00 C ATOM 1293 CZ PHE A 141 -3.312 -5.674 -5.122 1.00 0.00 C ATOM 0 H PHE A 141 -1.846 -0.725 -9.435 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.924 -1.693 -6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.311 -1.572 -7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.052 -2.725 -8.893 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.364 -2.406 -5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -3.528 -4.975 -8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.707 -4.272 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.869 -6.837 -6.846 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.463 -6.486 -4.426 1.00 0.00 H new ATOM 1303 N VAL A 142 -0.505 -3.740 -9.529 1.00 0.00 N ATOM 1304 CA VAL A 142 0.233 -4.918 -9.967 1.00 0.00 C ATOM 1305 C VAL A 142 1.729 -4.696 -9.757 1.00 0.00 C ATOM 1306 O VAL A 142 2.424 -5.570 -9.242 1.00 0.00 O ATOM 1307 CB VAL A 142 -0.036 -5.173 -11.454 1.00 0.00 C ATOM 1308 CG1 VAL A 142 0.871 -6.300 -11.955 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -1.501 -5.577 -11.644 1.00 0.00 C ATOM 0 H VAL A 142 -1.090 -3.312 -10.246 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.093 -5.780 -9.384 1.00 0.00 H new ATOM 0 HB VAL A 142 0.170 -4.264 -12.020 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.678 -6.480 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.914 -6.015 -11.820 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.667 -7.209 -11.390 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.694 -5.759 -12.701 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.705 -6.485 -11.077 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.148 -4.775 -11.290 1.00 0.00 H new ATOM 1319 N GLN A 143 2.212 -3.520 -10.143 1.00 0.00 N ATOM 1320 CA GLN A 143 3.624 -3.196 -9.973 1.00 0.00 C ATOM 1321 C GLN A 143 3.982 -3.134 -8.490 1.00 0.00 C ATOM 1322 O GLN A 143 5.005 -3.666 -8.064 1.00 0.00 O ATOM 1323 CB GLN A 143 3.932 -1.852 -10.634 1.00 0.00 C ATOM 1324 CG GLN A 143 3.783 -1.984 -12.151 1.00 0.00 C ATOM 1325 CD GLN A 143 4.898 -2.861 -12.711 1.00 0.00 C ATOM 1326 OE1 GLN A 143 4.774 -4.086 -12.737 1.00 0.00 O ATOM 1327 NE2 GLN A 143 5.989 -2.303 -13.160 1.00 0.00 N ATOM 0 H GLN A 143 1.653 -2.782 -10.571 1.00 0.00 H new ATOM 0 HA GLN A 143 4.220 -3.977 -10.446 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.255 -1.085 -10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.944 -1.535 -10.383 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.812 -2.417 -12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 143 3.817 -0.998 -12.615 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.089 -1.288 -13.137 1.00 0.00 H new ATOM 0 HE22 GLN A 143 6.741 -2.882 -13.534 1.00 0.00 H new ATOM 1336 N MET A 144 3.129 -2.480 -7.708 1.00 0.00 N ATOM 1337 CA MET A 144 3.367 -2.348 -6.275 1.00 0.00 C ATOM 1338 C MET A 144 3.502 -3.724 -5.637 1.00 0.00 C ATOM 1339 O MET A 144 4.244 -3.903 -4.672 1.00 0.00 O ATOM 1340 CB MET A 144 2.204 -1.601 -5.619 1.00 0.00 C ATOM 1341 CG MET A 144 2.587 -1.212 -4.190 1.00 0.00 C ATOM 1342 SD MET A 144 1.131 -0.562 -3.329 1.00 0.00 S ATOM 1343 CE MET A 144 0.908 0.920 -4.344 1.00 0.00 C ATOM 0 H MET A 144 2.273 -2.036 -8.039 1.00 0.00 H new ATOM 0 HA MET A 144 4.290 -1.788 -6.126 1.00 0.00 H new ATOM 0 HB2 MET A 144 1.959 -0.710 -6.196 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.314 -2.230 -5.610 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.980 -2.079 -3.659 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.378 -0.462 -4.206 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.382 1.680 -3.767 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.882 1.304 -4.647 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.325 0.670 -5.230 1.00 0.00 H new ATOM 1353 N MET A 145 2.779 -4.700 -6.182 1.00 0.00 N ATOM 1354 CA MET A 145 2.830 -6.064 -5.659 1.00 0.00 C ATOM 1355 C MET A 145 3.912 -6.875 -6.359 1.00 0.00 C ATOM 1356 O MET A 145 4.546 -7.738 -5.750 1.00 0.00 O ATOM 1357 CB MET A 145 1.473 -6.744 -5.851 1.00 0.00 C ATOM 1358 CG MET A 145 0.440 -6.081 -4.941 1.00 0.00 C ATOM 1359 SD MET A 145 0.803 -6.496 -3.213 1.00 0.00 S ATOM 1360 CE MET A 145 0.433 -4.877 -2.500 1.00 0.00 C ATOM 0 H MET A 145 2.155 -4.574 -6.979 1.00 0.00 H new ATOM 0 HA MET A 145 3.068 -6.014 -4.596 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.159 -6.667 -6.892 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.550 -7.806 -5.619 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.459 -5.000 -5.078 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.562 -6.418 -5.204 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.593 -4.909 -1.422 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.088 -4.126 -2.942 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.606 -4.618 -2.705 1.00 0.00 H new ATOM 1370 N THR A 146 4.119 -6.597 -7.642 1.00 0.00 N ATOM 1371 CA THR A 146 5.130 -7.311 -8.418 1.00 0.00 C ATOM 1372 C THR A 146 6.430 -6.512 -8.466 1.00 0.00 C ATOM 1373 O THR A 146 7.323 -6.804 -9.259 1.00 0.00 O ATOM 1374 CB THR A 146 4.618 -7.556 -9.844 1.00 0.00 C ATOM 1375 OG1 THR A 146 3.220 -7.806 -9.807 1.00 0.00 O ATOM 1376 CG2 THR A 146 5.339 -8.765 -10.449 1.00 0.00 C ATOM 0 H THR A 146 3.605 -5.888 -8.165 1.00 0.00 H new ATOM 0 HA THR A 146 5.326 -8.269 -7.936 1.00 0.00 H new ATOM 0 HB THR A 146 4.815 -6.676 -10.456 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.734 -6.961 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 146 4.974 -8.937 -11.462 1.00 0.00 H new ATOM 0 HG22 THR A 146 6.411 -8.572 -10.478 1.00 0.00 H new ATOM 0 HG23 THR A 146 5.145 -9.647 -9.839 1.00 0.00 H new