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+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.64! C(o=-6.6!,f=-20!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.616 F(o=-1.7,f=-0.62) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -1:sc= -0.118 USER MOD Single : A 111 ASN : amide:sc= -0.0942 K(o=-0.094,f=-2.2!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 124 MET CE :methyl -173:sc=-0.00457 (180deg=-0.0252) USER MOD Single : A 135 GLN :FLIP amide:sc= -1.08 F(o=-1.9!,f=-1.1) USER MOD Single : A 137 ASN : amide:sc= -7.98! C(o=-8!,f=-17!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -7.17! C(o=-7.2!,f=-9.6!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 178:sc= 0 (180deg=-0.00237) USER MOD Single : A 146 THR OG1 : rot 75:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 7.265 -8.361 -7.121 1.00 0.00 N ATOM 382 CA GLU A 82 6.420 -7.178 -7.227 1.00 0.00 C ATOM 383 C GLU A 82 5.351 -7.378 -8.296 1.00 0.00 C ATOM 384 O GLU A 82 4.276 -6.781 -8.233 1.00 0.00 O ATOM 385 CB GLU A 82 7.271 -5.954 -7.570 1.00 0.00 C ATOM 386 CG GLU A 82 6.402 -4.697 -7.518 1.00 0.00 C ATOM 387 CD GLU A 82 7.264 -3.457 -7.734 1.00 0.00 C ATOM 388 OE1 GLU A 82 8.476 -3.584 -7.668 1.00 0.00 O ATOM 389 OE2 GLU A 82 6.701 -2.399 -7.960 1.00 0.00 O ATOM 0 HA GLU A 82 5.930 -7.017 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.099 -5.865 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.706 -6.067 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.627 -4.749 -8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.896 -4.635 -6.555 1.00 0.00 H new ATOM 396 N GLU A 83 5.659 -8.211 -9.283 1.00 0.00 N ATOM 397 CA GLU A 83 4.724 -8.468 -10.373 1.00 0.00 C ATOM 398 C GLU A 83 3.444 -9.106 -9.846 1.00 0.00 C ATOM 399 O GLU A 83 2.347 -8.786 -10.301 1.00 0.00 O ATOM 400 CB GLU A 83 5.369 -9.390 -11.410 1.00 0.00 C ATOM 401 CG GLU A 83 5.739 -10.719 -10.749 1.00 0.00 C ATOM 402 CD GLU A 83 6.544 -11.577 -11.719 1.00 0.00 C ATOM 403 OE1 GLU A 83 6.620 -11.211 -12.880 1.00 0.00 O ATOM 404 OE2 GLU A 83 7.076 -12.586 -11.285 1.00 0.00 O ATOM 0 H GLU A 83 6.542 -8.717 -9.352 1.00 0.00 H new ATOM 0 HA GLU A 83 4.473 -7.516 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.681 -9.562 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.259 -8.919 -11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.319 -10.536 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.835 -11.248 -10.446 1.00 0.00 H new ATOM 411 N GLU A 84 3.594 -10.011 -8.885 1.00 0.00 N ATOM 412 CA GLU A 84 2.441 -10.686 -8.300 1.00 0.00 C ATOM 413 C GLU A 84 1.545 -9.687 -7.577 1.00 0.00 C ATOM 414 O GLU A 84 0.320 -9.744 -7.686 1.00 0.00 O ATOM 415 CB GLU A 84 2.908 -11.761 -7.316 1.00 0.00 C ATOM 416 CG GLU A 84 3.534 -12.923 -8.089 1.00 0.00 C ATOM 417 CD GLU A 84 4.007 -14.001 -7.117 1.00 0.00 C ATOM 418 OE1 GLU A 84 3.852 -13.803 -5.923 1.00 0.00 O ATOM 419 OE2 GLU A 84 4.516 -15.007 -7.582 1.00 0.00 O ATOM 0 H GLU A 84 4.494 -10.293 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 84 1.871 -11.152 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.634 -11.341 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.066 -12.117 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.807 -13.342 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.374 -12.564 -8.684 1.00 0.00 H new ATOM 426 N ILE A 85 2.162 -8.773 -6.837 1.00 0.00 N ATOM 427 CA ILE A 85 1.412 -7.763 -6.100 1.00 0.00 C ATOM 428 C ILE A 85 0.674 -6.837 -7.063 1.00 0.00 C ATOM 429 O ILE A 85 -0.474 -6.466 -6.826 1.00 0.00 O ATOM 430 CB ILE A 85 2.358 -6.946 -5.222 1.00 0.00 C ATOM 431 CG1 ILE A 85 2.949 -7.847 -4.135 1.00 0.00 C ATOM 432 CG2 ILE A 85 1.583 -5.801 -4.565 1.00 0.00 C ATOM 433 CD1 ILE A 85 4.097 -7.116 -3.435 1.00 0.00 C ATOM 0 H ILE A 85 3.175 -8.710 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 85 0.681 -8.268 -5.468 1.00 0.00 H new ATOM 0 HB ILE A 85 3.161 -6.538 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.179 -8.115 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.310 -8.777 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.258 -5.218 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.158 -5.159 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.780 -6.210 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.518 -7.757 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.870 -6.871 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.721 -6.199 -2.982 1.00 0.00 H new ATOM 445 N ARG A 86 1.349 -6.459 -8.144 1.00 0.00 N ATOM 446 CA ARG A 86 0.751 -5.570 -9.134 1.00 0.00 C ATOM 447 C ARG A 86 -0.528 -6.178 -9.698 1.00 0.00 C ATOM 448 O ARG A 86 -1.534 -5.488 -9.865 1.00 0.00 O ATOM 449 CB ARG A 86 1.741 -5.313 -10.272 1.00 0.00 C ATOM 450 CG ARG A 86 1.132 -4.321 -11.265 1.00 0.00 C ATOM 451 CD ARG A 86 2.177 -3.944 -12.315 1.00 0.00 C ATOM 452 NE ARG A 86 3.282 -3.224 -11.692 1.00 0.00 N ATOM 453 CZ ARG A 86 4.349 -2.861 -12.395 1.00 0.00 C ATOM 454 NH1 ARG A 86 4.471 -3.239 -13.638 1.00 0.00 N ATOM 455 NH2 ARG A 86 5.276 -2.127 -11.842 1.00 0.00 N ATOM 0 H ARG A 86 2.303 -6.752 -8.356 1.00 0.00 H new ATOM 0 HA ARG A 86 0.506 -4.627 -8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.675 -4.917 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.981 -6.248 -10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.259 -4.762 -11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.790 -3.429 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.550 -4.843 -12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.720 -3.325 -13.087 1.00 0.00 H new ATOM 0 HE ARG A 86 3.235 -2.995 -10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.747 -3.813 -14.070 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.290 -2.960 -14.178 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.181 -1.832 -10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.095 -1.848 -12.382 1.00 0.00 H new ATOM 469 N GLU A 87 -0.484 -7.474 -9.990 1.00 0.00 N ATOM 470 CA GLU A 87 -1.647 -8.165 -10.536 1.00 0.00 C ATOM 471 C GLU A 87 -2.833 -8.046 -9.586 1.00 0.00 C ATOM 472 O GLU A 87 -3.963 -7.805 -10.015 1.00 0.00 O ATOM 473 CB GLU A 87 -1.319 -9.641 -10.763 1.00 0.00 C ATOM 474 CG GLU A 87 -0.340 -9.773 -11.933 1.00 0.00 C ATOM 475 CD GLU A 87 0.040 -11.235 -12.132 1.00 0.00 C ATOM 476 OE1 GLU A 87 -0.449 -12.063 -11.380 1.00 0.00 O ATOM 477 OE2 GLU A 87 0.816 -11.508 -13.033 1.00 0.00 O ATOM 0 H GLU A 87 0.338 -8.063 -9.859 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.909 -7.702 -11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.884 -10.071 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.231 -10.199 -10.974 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.793 -9.379 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.554 -9.180 -11.739 1.00 0.00 H new ATOM 484 N ALA A 88 -2.572 -8.215 -8.294 1.00 0.00 N ATOM 485 CA ALA A 88 -3.627 -8.125 -7.291 1.00 0.00 C ATOM 486 C ALA A 88 -4.271 -6.742 -7.316 1.00 0.00 C ATOM 487 O ALA A 88 -5.493 -6.615 -7.253 1.00 0.00 O ATOM 488 CB ALA A 88 -3.051 -8.396 -5.901 1.00 0.00 C ATOM 0 H ALA A 88 -1.645 -8.414 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.386 -8.872 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.846 -8.327 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.617 -9.395 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.280 -7.659 -5.677 1.00 0.00 H new ATOM 494 N PHE A 89 -3.440 -5.710 -7.416 1.00 0.00 N ATOM 495 CA PHE A 89 -3.940 -4.340 -7.447 1.00 0.00 C ATOM 496 C PHE A 89 -4.965 -4.176 -8.568 1.00 0.00 C ATOM 497 O PHE A 89 -5.969 -3.482 -8.404 1.00 0.00 O ATOM 498 CB PHE A 89 -2.780 -3.367 -7.670 1.00 0.00 C ATOM 499 CG PHE A 89 -3.268 -1.951 -7.476 1.00 0.00 C ATOM 500 CD1 PHE A 89 -3.847 -1.256 -8.543 1.00 0.00 C ATOM 501 CD2 PHE A 89 -3.139 -1.332 -6.226 1.00 0.00 C ATOM 502 CE1 PHE A 89 -4.299 0.057 -8.364 1.00 0.00 C ATOM 503 CE2 PHE A 89 -3.591 -0.019 -6.046 1.00 0.00 C ATOM 504 CZ PHE A 89 -4.171 0.675 -7.114 1.00 0.00 C ATOM 0 H PHE A 89 -2.425 -5.794 -7.477 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.418 -4.122 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.971 -3.583 -6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.376 -3.490 -8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.946 -1.733 -9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.691 -1.867 -5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.746 0.592 -9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.492 0.458 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.520 1.687 -6.974 1.00 0.00 H new ATOM 514 N ARG A 90 -4.703 -4.812 -9.703 1.00 0.00 N ATOM 515 CA ARG A 90 -5.608 -4.725 -10.842 1.00 0.00 C ATOM 516 C ARG A 90 -6.934 -5.411 -10.533 1.00 0.00 C ATOM 517 O ARG A 90 -8.001 -4.906 -10.879 1.00 0.00 O ATOM 518 CB ARG A 90 -4.968 -5.380 -12.069 1.00 0.00 C ATOM 519 CG ARG A 90 -3.818 -4.507 -12.574 1.00 0.00 C ATOM 520 CD ARG A 90 -3.124 -5.204 -13.745 1.00 0.00 C ATOM 521 NE ARG A 90 -4.049 -5.355 -14.863 1.00 0.00 N ATOM 522 CZ ARG A 90 -4.236 -4.372 -15.738 1.00 0.00 C ATOM 523 NH1 ARG A 90 -3.238 -3.606 -16.083 1.00 0.00 N ATOM 524 NH2 ARG A 90 -5.419 -4.172 -16.251 1.00 0.00 N ATOM 0 H ARG A 90 -3.877 -5.390 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.798 -3.672 -11.047 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.599 -6.373 -11.813 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.712 -5.509 -12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.197 -3.535 -12.889 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.104 -4.326 -11.770 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.255 -4.625 -14.058 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.759 -6.182 -13.431 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.561 -6.230 -14.975 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.313 -3.761 -15.681 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.382 -2.852 -16.755 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.200 -4.770 -15.981 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.563 -3.418 -16.922 1.00 0.00 H new ATOM 538 N VAL A 91 -6.858 -6.561 -9.870 1.00 0.00 N ATOM 539 CA VAL A 91 -8.061 -7.316 -9.537 1.00 0.00 C ATOM 540 C VAL A 91 -9.017 -6.459 -8.714 1.00 0.00 C ATOM 541 O VAL A 91 -10.215 -6.408 -8.997 1.00 0.00 O ATOM 542 CB VAL A 91 -7.683 -8.567 -8.736 1.00 0.00 C ATOM 543 CG1 VAL A 91 -8.954 -9.287 -8.284 1.00 0.00 C ATOM 544 CG2 VAL A 91 -6.853 -9.503 -9.618 1.00 0.00 C ATOM 0 H VAL A 91 -5.986 -6.987 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.555 -7.609 -10.464 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.100 -8.277 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.685 -10.177 -7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.547 -8.620 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.537 -9.578 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.583 -10.393 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.437 -9.793 -10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.947 -8.990 -9.941 1.00 0.00 H new ATOM 554 N GLU A 92 -8.484 -5.784 -7.703 1.00 0.00 N ATOM 555 CA GLU A 92 -9.304 -4.938 -6.844 1.00 0.00 C ATOM 556 C GLU A 92 -9.724 -3.673 -7.583 1.00 0.00 C ATOM 557 O GLU A 92 -10.699 -3.019 -7.210 1.00 0.00 O ATOM 558 CB GLU A 92 -8.524 -4.562 -5.582 1.00 0.00 C ATOM 559 CG GLU A 92 -7.167 -3.976 -5.977 1.00 0.00 C ATOM 560 CD GLU A 92 -6.368 -3.624 -4.728 1.00 0.00 C ATOM 561 OE1 GLU A 92 -6.436 -4.380 -3.773 1.00 0.00 O ATOM 562 OE2 GLU A 92 -5.699 -2.604 -4.745 1.00 0.00 O ATOM 0 H GLU A 92 -7.494 -5.805 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.198 -5.494 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.088 -3.837 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.383 -5.441 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.614 -4.694 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.310 -3.086 -6.590 1.00 0.00 H new ATOM 569 N ASP A 93 -8.982 -3.332 -8.632 1.00 0.00 N ATOM 570 CA ASP A 93 -9.293 -2.144 -9.420 1.00 0.00 C ATOM 571 C ASP A 93 -10.284 -2.485 -10.530 1.00 0.00 C ATOM 572 O ASP A 93 -9.934 -2.479 -11.711 1.00 0.00 O ATOM 573 CB ASP A 93 -8.012 -1.577 -10.035 1.00 0.00 C ATOM 574 CG ASP A 93 -8.245 -0.139 -10.486 1.00 0.00 C ATOM 575 OD1 ASP A 93 -9.364 0.327 -10.361 1.00 0.00 O ATOM 576 OD2 ASP A 93 -7.298 0.476 -10.949 1.00 0.00 O ATOM 0 H ASP A 93 -8.168 -3.856 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.741 -1.399 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.202 -1.612 -9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.704 -2.188 -10.883 1.00 0.00 H new ATOM 581 N LYS A 94 -11.519 -2.785 -10.142 1.00 0.00 N ATOM 582 CA LYS A 94 -12.548 -3.138 -11.111 1.00 0.00 C ATOM 583 C LYS A 94 -12.808 -1.982 -12.069 1.00 0.00 C ATOM 584 O LYS A 94 -12.964 -2.181 -13.273 1.00 0.00 O ATOM 585 CB LYS A 94 -13.845 -3.506 -10.387 1.00 0.00 C ATOM 586 CG LYS A 94 -13.665 -4.840 -9.658 1.00 0.00 C ATOM 587 CD LYS A 94 -14.929 -5.161 -8.859 1.00 0.00 C ATOM 588 CE LYS A 94 -16.018 -5.666 -9.805 1.00 0.00 C ATOM 589 NZ LYS A 94 -17.108 -6.302 -9.013 1.00 0.00 N ATOM 0 H LYS A 94 -11.829 -2.791 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.196 -3.995 -11.685 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.111 -2.724 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.665 -3.578 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.465 -5.635 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.804 -4.789 -8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.712 -5.915 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.274 -4.271 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.416 -4.839 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.599 -6.385 -10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.849 -6.646 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.722 -7.101 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.514 -5.604 -8.358 1.00 0.00 H new ATOM 603 N ASP A 95 -12.853 -0.770 -11.524 1.00 0.00 N ATOM 604 CA ASP A 95 -13.108 0.413 -12.338 1.00 0.00 C ATOM 605 C ASP A 95 -11.843 0.840 -13.073 1.00 0.00 C ATOM 606 O ASP A 95 -11.857 1.798 -13.848 1.00 0.00 O ATOM 607 CB ASP A 95 -13.597 1.561 -11.452 1.00 0.00 C ATOM 608 CG ASP A 95 -12.610 1.798 -10.314 1.00 0.00 C ATOM 609 OD1 ASP A 95 -11.537 1.221 -10.358 1.00 0.00 O ATOM 610 OD2 ASP A 95 -12.943 2.553 -9.415 1.00 0.00 O ATOM 0 H ASP A 95 -12.717 -0.582 -10.531 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.876 0.167 -13.072 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.705 2.469 -12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.581 1.325 -11.048 1.00 0.00 H new ATOM 615 N GLY A 96 -10.752 0.122 -12.830 1.00 0.00 N ATOM 616 CA GLY A 96 -9.484 0.431 -13.481 1.00 0.00 C ATOM 617 C GLY A 96 -9.137 1.908 -13.326 1.00 0.00 C ATOM 618 O GLY A 96 -8.337 2.450 -14.089 1.00 0.00 O ATOM 0 H GLY A 96 -10.719 -0.673 -12.191 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.691 -0.180 -13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.543 0.176 -14.539 1.00 0.00 H new ATOM 622 N ASN A 97 -9.744 2.552 -12.335 1.00 0.00 N ATOM 623 CA ASN A 97 -9.486 3.966 -12.086 1.00 0.00 C ATOM 624 C ASN A 97 -8.072 4.166 -11.553 1.00 0.00 C ATOM 625 O ASN A 97 -7.517 5.262 -11.632 1.00 0.00 O ATOM 626 CB ASN A 97 -10.495 4.510 -11.074 1.00 0.00 C ATOM 627 CG ASN A 97 -10.395 3.732 -9.766 1.00 0.00 C ATOM 628 OD1 ASN A 97 -9.640 2.764 -9.675 1.00 0.00 O ATOM 629 ND2 ASN A 97 -11.115 4.100 -8.741 1.00 0.00 N ATOM 0 H ASN A 97 -10.413 2.122 -11.696 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.588 4.506 -13.027 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.306 5.568 -10.892 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.505 4.431 -11.477 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.053 3.585 -7.863 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.740 4.902 -8.818 1.00 0.00 H new ATOM 636 N GLY A 98 -7.491 3.098 -11.011 1.00 0.00 N ATOM 637 CA GLY A 98 -6.140 3.169 -10.467 1.00 0.00 C ATOM 638 C GLY A 98 -6.162 3.628 -9.015 1.00 0.00 C ATOM 639 O GLY A 98 -5.142 4.060 -8.474 1.00 0.00 O ATOM 0 H GLY A 98 -7.931 2.181 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.664 2.191 -10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.540 3.858 -11.061 1.00 0.00 H new ATOM 643 N TYR A 99 -7.328 3.534 -8.385 1.00 0.00 N ATOM 644 CA TYR A 99 -7.471 3.943 -6.993 1.00 0.00 C ATOM 645 C TYR A 99 -8.372 2.973 -6.238 1.00 0.00 C ATOM 646 O TYR A 99 -9.345 2.455 -6.790 1.00 0.00 O ATOM 647 CB TYR A 99 -8.061 5.352 -6.921 1.00 0.00 C ATOM 648 CG TYR A 99 -7.057 6.347 -7.454 1.00 0.00 C ATOM 649 CD1 TYR A 99 -6.067 6.862 -6.608 1.00 0.00 C ATOM 650 CD2 TYR A 99 -7.116 6.753 -8.791 1.00 0.00 C ATOM 651 CE1 TYR A 99 -5.136 7.784 -7.101 1.00 0.00 C ATOM 652 CE2 TYR A 99 -6.185 7.676 -9.284 1.00 0.00 C ATOM 653 CZ TYR A 99 -5.195 8.190 -8.439 1.00 0.00 C ATOM 654 OH TYR A 99 -4.277 9.099 -8.925 1.00 0.00 O ATOM 0 H TYR A 99 -8.183 3.180 -8.813 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.484 3.938 -6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.982 5.402 -7.502 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.320 5.597 -5.891 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.022 6.548 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -7.879 6.355 -9.443 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.372 8.182 -6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.231 7.991 -10.316 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.458 9.272 -9.872 1.00 0.00 H new ATOM 664 N ILE A 100 -8.045 2.730 -4.972 1.00 0.00 N ATOM 665 CA ILE A 100 -8.832 1.816 -4.152 1.00 0.00 C ATOM 666 C ILE A 100 -9.748 2.596 -3.214 1.00 0.00 C ATOM 667 O ILE A 100 -9.282 3.343 -2.354 1.00 0.00 O ATOM 668 CB ILE A 100 -7.903 0.918 -3.333 1.00 0.00 C ATOM 669 CG1 ILE A 100 -7.443 -0.261 -4.195 1.00 0.00 C ATOM 670 CG2 ILE A 100 -8.649 0.388 -2.107 1.00 0.00 C ATOM 671 CD1 ILE A 100 -6.814 0.266 -5.487 1.00 0.00 C ATOM 0 H ILE A 100 -7.247 3.150 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.444 1.199 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.037 1.495 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.721 -0.866 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.289 -0.907 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.985 -0.251 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.978 1.225 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.516 -0.188 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.486 -0.573 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.550 0.852 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.957 0.894 -5.244 1.00 0.00 H new ATOM 683 N SER A 101 -11.054 2.411 -3.382 1.00 0.00 N ATOM 684 CA SER A 101 -12.027 3.100 -2.544 1.00 0.00 C ATOM 685 C SER A 101 -12.506 2.189 -1.418 1.00 0.00 C ATOM 686 O SER A 101 -12.081 1.039 -1.315 1.00 0.00 O ATOM 687 CB SER A 101 -13.222 3.542 -3.388 1.00 0.00 C ATOM 688 OG SER A 101 -13.657 2.453 -4.192 1.00 0.00 O ATOM 0 H SER A 101 -11.460 1.794 -4.086 1.00 0.00 H new ATOM 0 HA SER A 101 -11.547 3.976 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.033 3.879 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.944 4.387 -4.019 1.00 0.00 H new ATOM 0 HG SER A 101 -14.424 2.732 -4.734 1.00 0.00 H new ATOM 694 N ALA A 102 -13.392 2.713 -0.577 1.00 0.00 N ATOM 695 CA ALA A 102 -13.924 1.935 0.538 1.00 0.00 C ATOM 696 C ALA A 102 -14.563 0.644 0.035 1.00 0.00 C ATOM 697 O ALA A 102 -14.300 -0.436 0.563 1.00 0.00 O ATOM 698 CB ALA A 102 -14.967 2.759 1.297 1.00 0.00 C ATOM 0 H ALA A 102 -13.755 3.664 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.101 1.683 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -15.360 2.173 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.503 3.667 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.782 3.025 0.623 1.00 0.00 H new ATOM 704 N ALA A 103 -15.393 0.762 -0.999 1.00 0.00 N ATOM 705 CA ALA A 103 -16.059 -0.405 -1.566 1.00 0.00 C ATOM 706 C ALA A 103 -15.037 -1.495 -1.880 1.00 0.00 C ATOM 707 O ALA A 103 -15.253 -2.666 -1.564 1.00 0.00 O ATOM 708 CB ALA A 103 -16.792 -0.010 -2.850 1.00 0.00 C ATOM 0 H ALA A 103 -15.618 1.645 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 103 -16.776 -0.787 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -17.288 -0.885 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -17.535 0.755 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -16.076 0.382 -3.572 1.00 0.00 H new ATOM 714 N GLU A 104 -13.927 -1.104 -2.494 1.00 0.00 N ATOM 715 CA GLU A 104 -12.867 -2.053 -2.819 1.00 0.00 C ATOM 716 C GLU A 104 -12.148 -2.501 -1.548 1.00 0.00 C ATOM 717 O GLU A 104 -11.731 -3.654 -1.432 1.00 0.00 O ATOM 718 CB GLU A 104 -11.865 -1.412 -3.777 1.00 0.00 C ATOM 719 CG GLU A 104 -12.470 -1.351 -5.181 1.00 0.00 C ATOM 720 CD GLU A 104 -11.609 -0.471 -6.081 1.00 0.00 C ATOM 721 OE1 GLU A 104 -10.468 -0.832 -6.313 1.00 0.00 O ATOM 722 OE2 GLU A 104 -12.105 0.551 -6.526 1.00 0.00 O ATOM 0 H GLU A 104 -13.737 -0.142 -2.776 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.316 -2.923 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.609 -0.409 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.940 -1.989 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.541 -2.355 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.484 -0.954 -5.132 1.00 0.00 H new ATOM 729 N LEU A 105 -12.003 -1.581 -0.600 1.00 0.00 N ATOM 730 CA LEU A 105 -11.342 -1.895 0.662 1.00 0.00 C ATOM 731 C LEU A 105 -12.127 -2.963 1.422 1.00 0.00 C ATOM 732 O LEU A 105 -11.547 -3.792 2.123 1.00 0.00 O ATOM 733 CB LEU A 105 -11.231 -0.633 1.521 1.00 0.00 C ATOM 734 CG LEU A 105 -9.935 -0.685 2.335 1.00 0.00 C ATOM 735 CD1 LEU A 105 -9.902 -1.971 3.163 1.00 0.00 C ATOM 736 CD2 LEU A 105 -8.734 -0.660 1.383 1.00 0.00 C ATOM 0 H LEU A 105 -12.332 -0.619 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 105 -10.344 -2.275 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.240 0.254 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.090 -0.557 2.188 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.890 0.176 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.979 -2.007 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.756 -1.990 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.947 -2.833 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.811 -0.697 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.780 -1.522 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.756 0.256 0.793 1.00 0.00 H new ATOM 748 N ARG A 106 -13.446 -2.931 1.284 1.00 0.00 N ATOM 749 CA ARG A 106 -14.302 -3.899 1.962 1.00 0.00 C ATOM 750 C ARG A 106 -14.114 -5.292 1.367 1.00 0.00 C ATOM 751 O ARG A 106 -14.151 -6.293 2.082 1.00 0.00 O ATOM 752 CB ARG A 106 -15.767 -3.480 1.840 1.00 0.00 C ATOM 753 CG ARG A 106 -16.641 -4.439 2.650 1.00 0.00 C ATOM 754 CD ARG A 106 -18.106 -4.009 2.541 1.00 0.00 C ATOM 755 NE ARG A 106 -18.940 -4.838 3.405 1.00 0.00 N ATOM 756 CZ ARG A 106 -19.103 -4.544 4.690 1.00 0.00 C ATOM 757 NH1 ARG A 106 -18.856 -3.336 5.120 1.00 0.00 N ATOM 758 NH2 ARG A 106 -19.509 -5.462 5.523 1.00 0.00 N ATOM 0 H ARG A 106 -13.946 -2.250 0.712 1.00 0.00 H new ATOM 0 HA ARG A 106 -14.022 -3.927 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -15.896 -2.460 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -16.073 -3.488 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -16.521 -5.457 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -16.328 -4.440 3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -18.207 -2.961 2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -18.442 -4.095 1.508 1.00 0.00 H new ATOM 0 HE ARG A 106 -19.406 -5.657 3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -18.538 -2.618 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -18.981 -3.110 6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -19.701 -6.406 5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -19.634 -5.236 6.510 1.00 0.00 H new ATOM 772 N HIS A 107 -13.914 -5.348 0.052 1.00 0.00 N ATOM 773 CA HIS A 107 -13.732 -6.624 -0.627 1.00 0.00 C ATOM 774 C HIS A 107 -12.587 -7.408 0.007 1.00 0.00 C ATOM 775 O HIS A 107 -12.688 -8.618 0.205 1.00 0.00 O ATOM 776 CB HIS A 107 -13.427 -6.384 -2.108 1.00 0.00 C ATOM 777 CG HIS A 107 -14.604 -5.711 -2.759 1.00 0.00 C ATOM 778 ND1 HIS A 107 -15.808 -5.281 -2.258 1.00 0.00 N flip ATOM 779 CD2 HIS A 107 -14.623 -5.400 -4.109 1.00 0.00 C flip ATOM 780 CE1 HIS A 107 -16.564 -4.713 -3.279 1.00 0.00 C flip ATOM 781 NE2 HIS A 107 -15.804 -4.810 -4.372 1.00 0.00 N flip ATOM 0 H HIS A 107 -13.874 -4.531 -0.558 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.651 -7.202 -0.532 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.537 -5.764 -2.211 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -13.215 -7.331 -2.605 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.834 -5.595 -4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -17.553 -4.286 -3.203 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -16.084 -4.477 -5.295 1.00 0.00 H new ATOM 789 N VAL A 108 -11.503 -6.710 0.327 1.00 0.00 N ATOM 790 CA VAL A 108 -10.349 -7.353 0.945 1.00 0.00 C ATOM 791 C VAL A 108 -10.722 -7.927 2.308 1.00 0.00 C ATOM 792 O VAL A 108 -10.373 -9.062 2.630 1.00 0.00 O ATOM 793 CB VAL A 108 -9.214 -6.339 1.110 1.00 0.00 C ATOM 794 CG1 VAL A 108 -8.050 -6.993 1.857 1.00 0.00 C ATOM 795 CG2 VAL A 108 -8.738 -5.879 -0.270 1.00 0.00 C ATOM 0 H VAL A 108 -11.399 -5.707 0.171 1.00 0.00 H new ATOM 0 HA VAL A 108 -10.020 -8.166 0.299 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.573 -5.480 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.242 -6.271 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.388 -7.323 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.690 -7.851 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.930 -5.157 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.378 -6.738 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.566 -5.414 -0.804 1.00 0.00 H new ATOM 805 N MET A 109 -11.434 -7.136 3.104 1.00 0.00 N ATOM 806 CA MET A 109 -11.849 -7.577 4.431 1.00 0.00 C ATOM 807 C MET A 109 -12.771 -8.788 4.327 1.00 0.00 C ATOM 808 O MET A 109 -12.673 -9.724 5.120 1.00 0.00 O ATOM 809 CB MET A 109 -12.573 -6.442 5.156 1.00 0.00 C ATOM 810 CG MET A 109 -11.545 -5.476 5.749 1.00 0.00 C ATOM 811 SD MET A 109 -10.331 -5.034 4.483 1.00 0.00 S ATOM 812 CE MET A 109 -8.999 -4.544 5.606 1.00 0.00 C ATOM 0 H MET A 109 -11.734 -6.193 2.856 1.00 0.00 H new ATOM 0 HA MET A 109 -10.960 -7.858 4.996 1.00 0.00 H new ATOM 0 HB2 MET A 109 -13.227 -5.913 4.463 1.00 0.00 H new ATOM 0 HB3 MET A 109 -13.206 -6.846 5.946 1.00 0.00 H new ATOM 0 HG2 MET A 109 -12.043 -4.580 6.119 1.00 0.00 H new ATOM 0 HG3 MET A 109 -11.046 -5.937 6.601 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.132 -4.228 5.026 1.00 0.00 H new ATOM 0 HE2 MET A 109 -9.337 -3.719 6.233 1.00 0.00 H new ATOM 0 HE3 MET A 109 -8.725 -5.390 6.236 1.00 0.00 H new ATOM 822 N THR A 110 -13.666 -8.763 3.345 1.00 0.00 N ATOM 823 CA THR A 110 -14.598 -9.866 3.144 1.00 0.00 C ATOM 824 C THR A 110 -13.848 -11.134 2.748 1.00 0.00 C ATOM 825 O THR A 110 -14.255 -12.241 3.096 1.00 0.00 O ATOM 826 CB THR A 110 -15.609 -9.504 2.054 1.00 0.00 C ATOM 827 OG1 THR A 110 -14.917 -9.040 0.905 1.00 0.00 O ATOM 828 CG2 THR A 110 -16.545 -8.409 2.566 1.00 0.00 C ATOM 0 H THR A 110 -13.765 -7.996 2.680 1.00 0.00 H new ATOM 0 HA THR A 110 -15.126 -10.048 4.080 1.00 0.00 H new ATOM 0 HB THR A 110 -16.195 -10.386 1.794 1.00 0.00 H new ATOM 0 HG1 THR A 110 -13.953 -9.044 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 110 -17.264 -8.152 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 110 -17.076 -8.767 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 110 -15.963 -7.525 2.827 1.00 0.00 H new ATOM 836 N ASN A 111 -12.753 -10.962 2.015 1.00 0.00 N ATOM 837 CA ASN A 111 -11.948 -12.100 1.582 1.00 0.00 C ATOM 838 C ASN A 111 -11.312 -12.794 2.783 1.00 0.00 C ATOM 839 O ASN A 111 -11.245 -14.021 2.839 1.00 0.00 O ATOM 840 CB ASN A 111 -10.856 -11.631 0.621 1.00 0.00 C ATOM 841 CG ASN A 111 -11.461 -11.310 -0.741 1.00 0.00 C ATOM 842 OD1 ASN A 111 -12.562 -11.764 -1.054 1.00 0.00 O ATOM 843 ND2 ASN A 111 -10.806 -10.549 -1.574 1.00 0.00 N ATOM 0 H ASN A 111 -12.404 -10.053 1.710 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.599 -12.809 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.360 -10.748 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.095 -12.405 0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.206 -10.329 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.894 -10.174 -1.313 1.00 0.00 H new ATOM 850 N LEU A 112 -10.845 -11.998 3.739 1.00 0.00 N ATOM 851 CA LEU A 112 -10.220 -12.547 4.937 1.00 0.00 C ATOM 852 C LEU A 112 -11.282 -12.999 5.935 1.00 0.00 C ATOM 853 O LEU A 112 -10.967 -13.608 6.957 1.00 0.00 O ATOM 854 CB LEU A 112 -9.321 -11.493 5.589 1.00 0.00 C ATOM 855 CG LEU A 112 -7.936 -11.532 4.941 1.00 0.00 C ATOM 856 CD1 LEU A 112 -8.024 -10.995 3.512 1.00 0.00 C ATOM 857 CD2 LEU A 112 -6.970 -10.667 5.752 1.00 0.00 C ATOM 0 H LEU A 112 -10.887 -10.979 3.709 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.618 -13.408 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.761 -10.502 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.239 -11.682 6.659 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.574 -12.560 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.037 -11.023 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.712 -11.611 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.386 -9.967 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.983 -10.694 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.332 -9.639 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.906 -11.050 6.770 1.00 0.00 H new ATOM 869 N GLY A 113 -12.539 -12.696 5.632 1.00 0.00 N ATOM 870 CA GLY A 113 -13.640 -13.078 6.509 1.00 0.00 C ATOM 871 C GLY A 113 -13.857 -12.033 7.599 1.00 0.00 C ATOM 872 O GLY A 113 -14.787 -12.140 8.398 1.00 0.00 O ATOM 0 H GLY A 113 -12.820 -12.191 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.552 -13.194 5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -13.428 -14.045 6.964 1.00 0.00 H new ATOM 876 N GLU A 114 -12.992 -11.024 7.624 1.00 0.00 N ATOM 877 CA GLU A 114 -13.099 -9.964 8.621 1.00 0.00 C ATOM 878 C GLU A 114 -14.305 -9.080 8.332 1.00 0.00 C ATOM 879 O GLU A 114 -14.435 -8.524 7.242 1.00 0.00 O ATOM 880 CB GLU A 114 -11.827 -9.115 8.618 1.00 0.00 C ATOM 881 CG GLU A 114 -10.638 -9.972 9.052 1.00 0.00 C ATOM 882 CD GLU A 114 -10.804 -10.396 10.508 1.00 0.00 C ATOM 883 OE1 GLU A 114 -11.560 -9.745 11.211 1.00 0.00 O ATOM 884 OE2 GLU A 114 -10.175 -11.366 10.898 1.00 0.00 O ATOM 0 H GLU A 114 -12.215 -10.918 6.971 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.226 -10.423 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.651 -8.709 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.942 -8.267 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.562 -10.853 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.711 -9.411 8.931 1.00 0.00 H new ATOM 891 N LYS A 115 -15.190 -8.953 9.318 1.00 0.00 N ATOM 892 CA LYS A 115 -16.384 -8.131 9.157 1.00 0.00 C ATOM 893 C LYS A 115 -16.230 -6.811 9.902 1.00 0.00 C ATOM 894 O LYS A 115 -16.329 -6.763 11.129 1.00 0.00 O ATOM 895 CB LYS A 115 -17.607 -8.881 9.691 1.00 0.00 C ATOM 896 CG LYS A 115 -17.925 -10.060 8.771 1.00 0.00 C ATOM 897 CD LYS A 115 -18.994 -10.941 9.421 1.00 0.00 C ATOM 898 CE LYS A 115 -20.309 -10.168 9.512 1.00 0.00 C ATOM 899 NZ LYS A 115 -21.427 -11.117 9.774 1.00 0.00 N ATOM 0 H LYS A 115 -15.104 -9.405 10.228 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.519 -7.922 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.415 -9.237 10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.463 -8.209 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.276 -9.697 7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.023 -10.643 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.135 -11.850 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.671 -11.248 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.253 -9.427 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.489 -9.625 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.322 -10.591 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.485 -11.808 8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.256 -11.616 10.670 1.00 0.00 H new ATOM 913 N LEU A 116 -15.992 -5.737 9.154 1.00 0.00 N ATOM 914 CA LEU A 116 -15.830 -4.418 9.755 1.00 0.00 C ATOM 915 C LEU A 116 -16.938 -3.481 9.284 1.00 0.00 C ATOM 916 O LEU A 116 -17.541 -3.694 8.232 1.00 0.00 O ATOM 917 CB LEU A 116 -14.470 -3.833 9.376 1.00 0.00 C ATOM 918 CG LEU A 116 -13.367 -4.826 9.744 1.00 0.00 C ATOM 919 CD1 LEU A 116 -12.008 -4.257 9.331 1.00 0.00 C ATOM 920 CD2 LEU A 116 -13.380 -5.067 11.254 1.00 0.00 C ATOM 0 H LEU A 116 -15.908 -5.754 8.138 1.00 0.00 H new ATOM 0 HA LEU A 116 -15.889 -4.522 10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.439 -3.619 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -14.311 -2.888 9.895 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.540 -5.768 9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.222 -4.965 9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.997 -4.086 8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.835 -3.314 9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.594 -5.775 11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.208 -4.125 11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -14.347 -5.473 11.549 1.00 0.00 H new ATOM 932 N THR A 117 -17.201 -2.443 10.072 1.00 0.00 N ATOM 933 CA THR A 117 -18.243 -1.481 9.728 1.00 0.00 C ATOM 934 C THR A 117 -17.724 -0.472 8.707 1.00 0.00 C ATOM 935 O THR A 117 -16.518 -0.360 8.488 1.00 0.00 O ATOM 936 CB THR A 117 -18.708 -0.744 10.986 1.00 0.00 C ATOM 937 OG1 THR A 117 -17.781 0.286 11.299 1.00 0.00 O ATOM 938 CG2 THR A 117 -18.796 -1.727 12.153 1.00 0.00 C ATOM 0 H THR A 117 -16.712 -2.247 10.945 1.00 0.00 H new ATOM 0 HA THR A 117 -19.083 -2.022 9.293 1.00 0.00 H new ATOM 0 HB THR A 117 -19.691 -0.307 10.809 1.00 0.00 H new ATOM 0 HG1 THR A 117 -18.078 0.760 12.104 1.00 0.00 H new ATOM 0 HG21 THR A 117 -19.127 -1.200 13.048 1.00 0.00 H new ATOM 0 HG22 THR A 117 -19.508 -2.516 11.911 1.00 0.00 H new ATOM 0 HG23 THR A 117 -17.815 -2.167 12.333 1.00 0.00 H new ATOM 946 N ASP A 118 -18.643 0.258 8.087 1.00 0.00 N ATOM 947 CA ASP A 118 -18.267 1.251 7.085 1.00 0.00 C ATOM 948 C ASP A 118 -17.425 2.355 7.714 1.00 0.00 C ATOM 949 O ASP A 118 -16.472 2.844 7.107 1.00 0.00 O ATOM 950 CB ASP A 118 -19.523 1.858 6.455 1.00 0.00 C ATOM 951 CG ASP A 118 -19.148 2.661 5.214 1.00 0.00 C ATOM 952 OD1 ASP A 118 -18.027 2.514 4.754 1.00 0.00 O ATOM 953 OD2 ASP A 118 -19.985 3.411 4.742 1.00 0.00 O ATOM 0 H ASP A 118 -19.646 0.183 8.257 1.00 0.00 H new ATOM 0 HA ASP A 118 -17.677 0.756 6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -20.225 1.067 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -20.027 2.502 7.176 1.00 0.00 H new ATOM 958 N GLU A 119 -17.784 2.744 8.933 1.00 0.00 N ATOM 959 CA GLU A 119 -17.056 3.796 9.633 1.00 0.00 C ATOM 960 C GLU A 119 -15.638 3.341 9.960 1.00 0.00 C ATOM 961 O GLU A 119 -14.685 4.111 9.844 1.00 0.00 O ATOM 962 CB GLU A 119 -17.788 4.165 10.925 1.00 0.00 C ATOM 963 CG GLU A 119 -17.056 5.318 11.614 1.00 0.00 C ATOM 964 CD GLU A 119 -17.835 5.770 12.844 1.00 0.00 C ATOM 965 OE1 GLU A 119 -18.767 5.077 13.218 1.00 0.00 O ATOM 966 OE2 GLU A 119 -17.488 6.802 13.395 1.00 0.00 O ATOM 0 H GLU A 119 -18.568 2.350 9.453 1.00 0.00 H new ATOM 0 HA GLU A 119 -17.003 4.670 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.816 4.453 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -17.835 3.301 11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -16.054 5.002 11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -16.939 6.151 10.921 1.00 0.00 H new ATOM 973 N GLU A 120 -15.505 2.083 10.371 1.00 0.00 N ATOM 974 CA GLU A 120 -14.197 1.536 10.713 1.00 0.00 C ATOM 975 C GLU A 120 -13.285 1.525 9.491 1.00 0.00 C ATOM 976 O GLU A 120 -12.097 1.831 9.589 1.00 0.00 O ATOM 977 CB GLU A 120 -14.352 0.111 11.250 1.00 0.00 C ATOM 978 CG GLU A 120 -14.978 0.156 12.645 1.00 0.00 C ATOM 979 CD GLU A 120 -15.275 -1.259 13.129 1.00 0.00 C ATOM 980 OE1 GLU A 120 -14.947 -2.190 12.413 1.00 0.00 O ATOM 981 OE2 GLU A 120 -15.824 -1.391 14.210 1.00 0.00 O ATOM 0 H GLU A 120 -16.280 1.428 10.475 1.00 0.00 H new ATOM 0 HA GLU A 120 -13.749 2.167 11.481 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -14.978 -0.476 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -13.380 -0.381 11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -14.301 0.653 13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -15.897 0.742 12.622 1.00 0.00 H new ATOM 988 N VAL A 121 -13.848 1.170 8.342 1.00 0.00 N ATOM 989 CA VAL A 121 -13.076 1.124 7.106 1.00 0.00 C ATOM 990 C VAL A 121 -12.537 2.508 6.760 1.00 0.00 C ATOM 991 O VAL A 121 -11.372 2.657 6.391 1.00 0.00 O ATOM 992 CB VAL A 121 -13.952 0.615 5.960 1.00 0.00 C ATOM 993 CG1 VAL A 121 -13.196 0.752 4.637 1.00 0.00 C ATOM 994 CG2 VAL A 121 -14.294 -0.859 6.198 1.00 0.00 C ATOM 0 H VAL A 121 -14.829 0.911 8.240 1.00 0.00 H new ATOM 0 HA VAL A 121 -12.236 0.444 7.250 1.00 0.00 H new ATOM 0 HB VAL A 121 -14.869 1.202 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -13.821 0.389 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -12.949 1.800 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -12.279 0.165 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -14.918 -1.224 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -13.375 -1.443 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -14.832 -0.960 7.140 1.00 0.00 H new ATOM 1004 N ASP A 122 -13.393 3.518 6.879 1.00 0.00 N ATOM 1005 CA ASP A 122 -12.993 4.886 6.570 1.00 0.00 C ATOM 1006 C ASP A 122 -11.854 5.331 7.482 1.00 0.00 C ATOM 1007 O ASP A 122 -10.887 5.944 7.029 1.00 0.00 O ATOM 1008 CB ASP A 122 -14.184 5.830 6.742 1.00 0.00 C ATOM 1009 CG ASP A 122 -13.889 7.169 6.075 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -13.601 7.166 4.889 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -13.956 8.177 6.758 1.00 0.00 O ATOM 0 H ASP A 122 -14.361 3.417 7.185 1.00 0.00 H new ATOM 0 HA ASP A 122 -12.650 4.919 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -15.077 5.385 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -14.390 5.980 7.802 1.00 0.00 H new ATOM 1016 N GLU A 123 -11.974 5.016 8.767 1.00 0.00 N ATOM 1017 CA GLU A 123 -10.950 5.394 9.735 1.00 0.00 C ATOM 1018 C GLU A 123 -9.621 4.724 9.398 1.00 0.00 C ATOM 1019 O GLU A 123 -8.561 5.341 9.503 1.00 0.00 O ATOM 1020 CB GLU A 123 -11.387 4.983 11.143 1.00 0.00 C ATOM 1021 CG GLU A 123 -10.371 5.501 12.164 1.00 0.00 C ATOM 1022 CD GLU A 123 -10.816 5.133 13.575 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -11.968 4.762 13.734 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -9.999 5.226 14.476 1.00 0.00 O ATOM 0 H GLU A 123 -12.763 4.504 9.161 1.00 0.00 H new ATOM 0 HA GLU A 123 -10.820 6.475 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.376 5.387 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.464 3.898 11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -9.389 5.074 11.961 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -10.273 6.583 12.075 1.00 0.00 H new ATOM 1031 N MET A 124 -9.688 3.461 8.989 1.00 0.00 N ATOM 1032 CA MET A 124 -8.481 2.717 8.647 1.00 0.00 C ATOM 1033 C MET A 124 -7.766 3.368 7.468 1.00 0.00 C ATOM 1034 O MET A 124 -6.540 3.490 7.464 1.00 0.00 O ATOM 1035 CB MET A 124 -8.843 1.273 8.292 1.00 0.00 C ATOM 1036 CG MET A 124 -9.167 0.497 9.570 1.00 0.00 C ATOM 1037 SD MET A 124 -7.651 0.254 10.528 1.00 0.00 S ATOM 1038 CE MET A 124 -7.082 -1.239 9.678 1.00 0.00 C ATOM 0 H MET A 124 -10.556 2.935 8.887 1.00 0.00 H new ATOM 0 HA MET A 124 -7.815 2.724 9.510 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.699 1.257 7.618 1.00 0.00 H new ATOM 0 HB3 MET A 124 -8.015 0.798 7.766 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.901 1.042 10.163 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.611 -0.467 9.321 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.210 -1.641 10.194 1.00 0.00 H new ATOM 0 HE2 MET A 124 -7.879 -1.983 9.677 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.814 -0.993 8.651 1.00 0.00 H new ATOM 1048 N ILE A 125 -8.538 3.789 6.472 1.00 0.00 N ATOM 1049 CA ILE A 125 -7.965 4.427 5.293 1.00 0.00 C ATOM 1050 C ILE A 125 -7.276 5.735 5.675 1.00 0.00 C ATOM 1051 O ILE A 125 -6.166 6.015 5.224 1.00 0.00 O ATOM 1052 CB ILE A 125 -9.066 4.713 4.269 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -9.632 3.389 3.750 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -8.481 5.507 3.099 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -10.887 3.661 2.918 1.00 0.00 C ATOM 0 H ILE A 125 -9.554 3.701 6.457 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.228 3.752 4.858 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.860 5.291 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.886 2.875 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -9.872 2.732 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.265 5.711 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -8.073 6.449 3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.688 4.928 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -11.290 2.718 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -11.634 4.157 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -10.632 4.302 2.074 1.00 0.00 H new ATOM 1067 N ARG A 126 -7.939 6.525 6.512 1.00 0.00 N ATOM 1068 CA ARG A 126 -7.380 7.802 6.944 1.00 0.00 C ATOM 1069 C ARG A 126 -6.056 7.588 7.670 1.00 0.00 C ATOM 1070 O ARG A 126 -5.108 8.351 7.488 1.00 0.00 O ATOM 1071 CB ARG A 126 -8.365 8.515 7.874 1.00 0.00 C ATOM 1072 CG ARG A 126 -9.565 9.011 7.065 1.00 0.00 C ATOM 1073 CD ARG A 126 -10.606 9.611 8.011 1.00 0.00 C ATOM 1074 NE ARG A 126 -10.073 10.802 8.660 1.00 0.00 N ATOM 1075 CZ ARG A 126 -10.783 11.468 9.565 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -11.194 10.863 10.646 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -11.068 12.727 9.372 1.00 0.00 N ATOM 0 H ARG A 126 -8.856 6.307 6.902 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.203 8.417 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -8.698 7.835 8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -7.874 9.354 8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -9.244 9.758 6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -10.003 8.187 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -11.509 9.865 7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -10.891 8.875 8.763 1.00 0.00 H new ATOM 0 HE ARG A 126 -9.139 11.130 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -10.970 9.879 10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -11.739 11.374 11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -10.746 13.199 8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -11.613 13.239 10.066 1.00 0.00 H new ATOM 1091 N GLU A 127 -5.999 6.547 8.494 1.00 0.00 N ATOM 1092 CA GLU A 127 -4.786 6.241 9.241 1.00 0.00 C ATOM 1093 C GLU A 127 -3.687 5.753 8.304 1.00 0.00 C ATOM 1094 O GLU A 127 -2.503 5.993 8.540 1.00 0.00 O ATOM 1095 CB GLU A 127 -5.076 5.171 10.294 1.00 0.00 C ATOM 1096 CG GLU A 127 -5.979 5.755 11.382 1.00 0.00 C ATOM 1097 CD GLU A 127 -6.351 4.671 12.388 1.00 0.00 C ATOM 1098 OE1 GLU A 127 -5.888 3.554 12.225 1.00 0.00 O ATOM 1099 OE2 GLU A 127 -7.094 4.975 13.307 1.00 0.00 O ATOM 0 H GLU A 127 -6.774 5.905 8.660 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.447 7.152 9.734 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.558 4.311 9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.144 4.816 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -5.468 6.574 11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.881 6.171 10.933 1.00 0.00 H new ATOM 1106 N ALA A 128 -4.087 5.060 7.241 1.00 0.00 N ATOM 1107 CA ALA A 128 -3.125 4.536 6.279 1.00 0.00 C ATOM 1108 C ALA A 128 -2.807 5.579 5.213 1.00 0.00 C ATOM 1109 O ALA A 128 -1.739 5.550 4.602 1.00 0.00 O ATOM 1110 CB ALA A 128 -3.690 3.279 5.612 1.00 0.00 C ATOM 0 H ALA A 128 -5.062 4.850 7.026 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.207 4.287 6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.967 2.892 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.889 2.522 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.617 3.527 5.095 1.00 0.00 H new ATOM 1116 N ASP A 129 -3.741 6.499 4.996 1.00 0.00 N ATOM 1117 CA ASP A 129 -3.552 7.541 3.992 1.00 0.00 C ATOM 1118 C ASP A 129 -2.444 8.499 4.414 1.00 0.00 C ATOM 1119 O ASP A 129 -2.617 9.300 5.333 1.00 0.00 O ATOM 1120 CB ASP A 129 -4.855 8.320 3.798 1.00 0.00 C ATOM 1121 CG ASP A 129 -4.741 9.229 2.580 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -3.626 9.483 2.157 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -5.771 9.662 2.091 1.00 0.00 O ATOM 0 H ASP A 129 -4.629 6.545 5.496 1.00 0.00 H new ATOM 0 HA ASP A 129 -3.267 7.067 3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.687 7.628 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.069 8.914 4.687 1.00 0.00 H new ATOM 1128 N ILE A 130 -1.302 8.408 3.739 1.00 0.00 N ATOM 1129 CA ILE A 130 -0.170 9.267 4.058 1.00 0.00 C ATOM 1130 C ILE A 130 -0.475 10.717 3.700 1.00 0.00 C ATOM 1131 O ILE A 130 -0.185 11.633 4.470 1.00 0.00 O ATOM 1132 CB ILE A 130 1.071 8.802 3.290 1.00 0.00 C ATOM 1133 CG1 ILE A 130 1.473 7.407 3.773 1.00 0.00 C ATOM 1134 CG2 ILE A 130 2.224 9.777 3.540 1.00 0.00 C ATOM 1135 CD1 ILE A 130 2.543 6.833 2.841 1.00 0.00 C ATOM 0 H ILE A 130 -1.138 7.753 2.974 1.00 0.00 H new ATOM 0 HA ILE A 130 0.018 9.202 5.130 1.00 0.00 H new ATOM 0 HB ILE A 130 0.847 8.771 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.854 7.459 4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.602 6.752 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 130 3.106 9.445 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.939 10.772 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.449 9.809 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.830 5.839 3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 130 2.145 6.766 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.417 7.485 2.845 1.00 0.00 H new ATOM 1147 N ASP A 131 -1.061 10.920 2.525 1.00 0.00 N ATOM 1148 CA ASP A 131 -1.378 12.266 2.060 1.00 0.00 C ATOM 1149 C ASP A 131 -2.795 12.654 2.458 1.00 0.00 C ATOM 1150 O ASP A 131 -3.313 13.683 2.025 1.00 0.00 O ATOM 1151 CB ASP A 131 -1.229 12.342 0.539 1.00 0.00 C ATOM 1152 CG ASP A 131 -2.033 11.224 -0.117 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -3.096 10.909 0.391 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -1.574 10.700 -1.119 1.00 0.00 O ATOM 0 H ASP A 131 -1.325 10.175 1.880 1.00 0.00 H new ATOM 0 HA ASP A 131 -0.683 12.963 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -1.575 13.311 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -0.178 12.256 0.263 1.00 0.00 H new ATOM 1159 N GLY A 132 -3.423 11.819 3.280 1.00 0.00 N ATOM 1160 CA GLY A 132 -4.780 12.093 3.740 1.00 0.00 C ATOM 1161 C GLY A 132 -5.647 12.607 2.598 1.00 0.00 C ATOM 1162 O GLY A 132 -6.421 13.550 2.769 1.00 0.00 O ATOM 0 H GLY A 132 -3.018 10.954 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.218 11.185 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -4.754 12.830 4.543 1.00 0.00 H new ATOM 1166 N ASP A 133 -5.512 11.985 1.434 1.00 0.00 N ATOM 1167 CA ASP A 133 -6.285 12.394 0.265 1.00 0.00 C ATOM 1168 C ASP A 133 -7.664 11.743 0.280 1.00 0.00 C ATOM 1169 O ASP A 133 -8.500 12.014 -0.582 1.00 0.00 O ATOM 1170 CB ASP A 133 -5.547 12.000 -1.016 1.00 0.00 C ATOM 1171 CG ASP A 133 -5.262 10.502 -1.013 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -5.849 9.810 -0.199 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -4.461 10.069 -1.824 1.00 0.00 O ATOM 0 H ASP A 133 -4.880 11.201 1.273 1.00 0.00 H new ATOM 0 HA ASP A 133 -6.406 13.477 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -6.147 12.263 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -4.613 12.556 -1.093 1.00 0.00 H new ATOM 1178 N GLY A 134 -7.897 10.884 1.267 1.00 0.00 N ATOM 1179 CA GLY A 134 -9.182 10.205 1.390 1.00 0.00 C ATOM 1180 C GLY A 134 -9.248 8.992 0.473 1.00 0.00 C ATOM 1181 O GLY A 134 -10.238 8.261 0.462 1.00 0.00 O ATOM 0 H GLY A 134 -7.218 10.643 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -9.335 9.893 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -9.988 10.896 1.143 1.00 0.00 H new ATOM 1185 N GLN A 135 -8.185 8.779 -0.298 1.00 0.00 N ATOM 1186 CA GLN A 135 -8.134 7.649 -1.218 1.00 0.00 C ATOM 1187 C GLN A 135 -6.784 6.947 -1.129 1.00 0.00 C ATOM 1188 O GLN A 135 -5.772 7.564 -0.796 1.00 0.00 O ATOM 1189 CB GLN A 135 -8.366 8.133 -2.652 1.00 0.00 C ATOM 1190 CG GLN A 135 -9.732 8.814 -2.746 1.00 0.00 C ATOM 1191 CD GLN A 135 -10.840 7.803 -2.474 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -11.732 8.055 -1.556 1.00 0.00 O flip ATOM 1193 NE2 GLN A 135 -10.895 6.754 -3.117 1.00 0.00 N flip ATOM 0 H GLN A 135 -7.354 9.370 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 135 -8.917 6.943 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -7.580 8.829 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -8.319 7.291 -3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.790 9.631 -2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -9.862 9.251 -3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.197 6.558 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.639 6.081 -2.932 1.00 0.00 H new ATOM 1202 N VAL A 136 -6.774 5.651 -1.429 1.00 0.00 N ATOM 1203 CA VAL A 136 -5.542 4.875 -1.376 1.00 0.00 C ATOM 1204 C VAL A 136 -4.964 4.691 -2.774 1.00 0.00 C ATOM 1205 O VAL A 136 -5.640 4.192 -3.676 1.00 0.00 O ATOM 1206 CB VAL A 136 -5.814 3.504 -0.751 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -4.519 2.691 -0.716 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -6.337 3.691 0.675 1.00 0.00 C ATOM 0 H VAL A 136 -7.599 5.121 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.820 5.417 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.558 2.974 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.714 1.715 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.145 2.559 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.774 3.219 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.531 2.716 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -5.592 4.221 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -7.260 4.270 0.651 1.00 0.00 H new ATOM 1218 N ASN A 137 -3.711 5.097 -2.950 1.00 0.00 N ATOM 1219 CA ASN A 137 -3.049 4.969 -4.244 1.00 0.00 C ATOM 1220 C ASN A 137 -2.177 3.719 -4.278 1.00 0.00 C ATOM 1221 O ASN A 137 -2.088 2.985 -3.293 1.00 0.00 O ATOM 1222 CB ASN A 137 -2.189 6.203 -4.515 1.00 0.00 C ATOM 1223 CG ASN A 137 -1.393 6.569 -3.267 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -0.484 5.838 -2.873 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -1.683 7.662 -2.617 1.00 0.00 N ATOM 0 H ASN A 137 -3.136 5.515 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.814 4.885 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.510 6.008 -5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.822 7.040 -4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.156 7.913 -1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.436 8.266 -2.945 1.00 0.00 H new ATOM 1232 N TYR A 138 -1.534 3.483 -5.417 1.00 0.00 N ATOM 1233 CA TYR A 138 -0.677 2.313 -5.570 1.00 0.00 C ATOM 1234 C TYR A 138 0.456 2.341 -4.549 1.00 0.00 C ATOM 1235 O TYR A 138 0.729 1.342 -3.884 1.00 0.00 O ATOM 1236 CB TYR A 138 -0.091 2.276 -6.984 1.00 0.00 C ATOM 1237 CG TYR A 138 0.819 1.079 -7.121 1.00 0.00 C ATOM 1238 CD1 TYR A 138 0.275 -0.187 -7.373 1.00 0.00 C ATOM 1239 CD2 TYR A 138 2.205 1.234 -6.998 1.00 0.00 C ATOM 1240 CE1 TYR A 138 1.119 -1.297 -7.501 1.00 0.00 C ATOM 1241 CE2 TYR A 138 3.047 0.124 -7.127 1.00 0.00 C ATOM 1242 CZ TYR A 138 2.504 -1.142 -7.377 1.00 0.00 C ATOM 1243 OH TYR A 138 3.335 -2.237 -7.503 1.00 0.00 O ATOM 0 H TYR A 138 -1.589 4.081 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.280 1.420 -5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -0.893 2.223 -7.720 1.00 0.00 H new ATOM 0 HB3 TYR A 138 0.464 3.193 -7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -0.794 -0.307 -7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 138 2.624 2.210 -6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 138 0.701 -2.273 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.116 0.244 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 138 4.267 -1.955 -7.391 1.00 0.00 H new ATOM 1253 N GLU A 139 1.110 3.490 -4.431 1.00 0.00 N ATOM 1254 CA GLU A 139 2.216 3.635 -3.489 1.00 0.00 C ATOM 1255 C GLU A 139 1.735 3.411 -2.060 1.00 0.00 C ATOM 1256 O GLU A 139 2.431 2.798 -1.249 1.00 0.00 O ATOM 1257 CB GLU A 139 2.825 5.033 -3.611 1.00 0.00 C ATOM 1258 CG GLU A 139 3.429 5.208 -5.006 1.00 0.00 C ATOM 1259 CD GLU A 139 4.611 4.262 -5.186 1.00 0.00 C ATOM 1260 OE1 GLU A 139 5.150 3.824 -4.183 1.00 0.00 O ATOM 1261 OE2 GLU A 139 4.958 3.990 -6.323 1.00 0.00 O ATOM 0 H GLU A 139 0.897 4.329 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 139 2.972 2.887 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.061 5.790 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.593 5.174 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.674 5.008 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.754 6.239 -5.144 1.00 0.00 H new ATOM 1268 N GLU A 140 0.541 3.910 -1.756 1.00 0.00 N ATOM 1269 CA GLU A 140 -0.021 3.761 -0.418 1.00 0.00 C ATOM 1270 C GLU A 140 -0.459 2.320 -0.179 1.00 0.00 C ATOM 1271 O GLU A 140 -0.466 1.844 0.955 1.00 0.00 O ATOM 1272 CB GLU A 140 -1.218 4.698 -0.249 1.00 0.00 C ATOM 1273 CG GLU A 140 -0.722 6.110 0.069 1.00 0.00 C ATOM 1274 CD GLU A 140 -1.880 7.099 -0.009 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -2.850 6.794 -0.682 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -1.779 8.148 0.606 1.00 0.00 O ATOM 0 H GLU A 140 -0.052 4.417 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 140 0.747 4.019 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.816 4.708 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.864 4.339 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -0.279 6.133 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.060 6.397 -0.634 1.00 0.00 H new ATOM 1283 N PHE A 141 -0.829 1.633 -1.255 1.00 0.00 N ATOM 1284 CA PHE A 141 -1.265 0.247 -1.147 1.00 0.00 C ATOM 1285 C PHE A 141 -0.077 -0.675 -0.887 1.00 0.00 C ATOM 1286 O PHE A 141 -0.084 -1.457 0.063 1.00 0.00 O ATOM 1287 CB PHE A 141 -1.966 -0.180 -2.441 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.149 -1.680 -2.446 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -3.113 -2.271 -1.622 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -1.348 -2.478 -3.272 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -3.281 -3.660 -1.625 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -1.515 -3.868 -3.275 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.482 -4.460 -2.452 1.00 0.00 C ATOM 0 H PHE A 141 -0.836 2.010 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.959 0.170 -0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.934 0.315 -2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.376 0.128 -3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.728 -1.655 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.602 -2.022 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -4.026 -4.115 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.898 -4.484 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.611 -5.532 -2.455 1.00 0.00 H new ATOM 1303 N VAL A 142 0.948 -0.563 -1.729 1.00 0.00 N ATOM 1304 CA VAL A 142 2.121 -1.416 -1.592 1.00 0.00 C ATOM 1305 C VAL A 142 2.730 -1.262 -0.203 1.00 0.00 C ATOM 1306 O VAL A 142 2.997 -2.253 0.478 1.00 0.00 O ATOM 1307 CB VAL A 142 3.165 -1.029 -2.647 1.00 0.00 C ATOM 1308 CG1 VAL A 142 4.470 -1.779 -2.376 1.00 0.00 C ATOM 1309 CG2 VAL A 142 2.645 -1.402 -4.038 1.00 0.00 C ATOM 0 H VAL A 142 0.989 0.101 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 142 1.817 -2.453 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 142 3.347 0.045 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 142 5.211 -1.503 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.842 -1.516 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 142 4.289 -2.853 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.386 -1.128 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.464 -2.476 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.715 -0.868 -4.234 1.00 0.00 H new ATOM 1319 N GLN A 143 2.940 -0.021 0.214 1.00 0.00 N ATOM 1320 CA GLN A 143 3.526 0.248 1.524 1.00 0.00 C ATOM 1321 C GLN A 143 2.580 -0.189 2.636 1.00 0.00 C ATOM 1322 O GLN A 143 3.008 -0.737 3.651 1.00 0.00 O ATOM 1323 CB GLN A 143 3.834 1.739 1.663 1.00 0.00 C ATOM 1324 CG GLN A 143 2.524 2.522 1.774 1.00 0.00 C ATOM 1325 CD GLN A 143 2.051 2.544 3.225 1.00 0.00 C ATOM 1326 OE1 GLN A 143 0.859 2.404 3.492 1.00 0.00 O ATOM 1327 NE2 GLN A 143 2.922 2.713 4.182 1.00 0.00 N ATOM 0 H GLN A 143 2.716 0.812 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 143 4.452 -0.321 1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.450 1.913 2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.405 2.085 0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.668 3.541 1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 143 1.763 2.065 1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.910 2.829 3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 143 2.615 2.729 5.154 1.00 0.00 H new ATOM 1336 N MET A 144 1.289 0.063 2.439 1.00 0.00 N ATOM 1337 CA MET A 144 0.289 -0.314 3.428 1.00 0.00 C ATOM 1338 C MET A 144 0.245 -1.830 3.595 1.00 0.00 C ATOM 1339 O MET A 144 0.098 -2.338 4.706 1.00 0.00 O ATOM 1340 CB MET A 144 -1.089 0.196 3.000 1.00 0.00 C ATOM 1341 CG MET A 144 -2.159 -0.374 3.934 1.00 0.00 C ATOM 1342 SD MET A 144 -2.665 -2.009 3.342 1.00 0.00 S ATOM 1343 CE MET A 144 -3.925 -1.447 2.171 1.00 0.00 C ATOM 0 H MET A 144 0.915 0.523 1.609 1.00 0.00 H new ATOM 0 HA MET A 144 0.561 0.137 4.382 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.110 1.285 3.028 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.294 -0.100 1.971 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.770 -0.447 4.949 1.00 0.00 H new ATOM 0 HG3 MET A 144 -3.019 0.294 3.970 1.00 0.00 H new ATOM 0 HE1 MET A 144 -4.377 -2.309 1.681 1.00 0.00 H new ATOM 0 HE2 MET A 144 -4.694 -0.888 2.704 1.00 0.00 H new ATOM 0 HE3 MET A 144 -3.464 -0.804 1.421 1.00 0.00 H new ATOM 1353 N MET A 145 0.367 -2.545 2.482 1.00 0.00 N ATOM 1354 CA MET A 145 0.334 -4.003 2.513 1.00 0.00 C ATOM 1355 C MET A 145 1.570 -4.552 3.218 1.00 0.00 C ATOM 1356 O MET A 145 1.519 -5.605 3.854 1.00 0.00 O ATOM 1357 CB MET A 145 0.267 -4.556 1.090 1.00 0.00 C ATOM 1358 CG MET A 145 -0.102 -6.040 1.135 1.00 0.00 C ATOM 1359 SD MET A 145 0.174 -6.781 -0.493 1.00 0.00 S ATOM 1360 CE MET A 145 1.882 -7.312 -0.213 1.00 0.00 C ATOM 0 H MET A 145 0.489 -2.142 1.553 1.00 0.00 H new ATOM 0 HA MET A 145 -0.553 -4.315 3.064 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.472 -4.004 0.509 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.228 -4.424 0.592 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.499 -6.552 1.886 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.145 -6.157 1.427 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.249 -7.836 -1.095 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.507 -6.440 -0.022 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.919 -7.980 0.647 1.00 0.00 H new ATOM 1370 N THR A 146 2.681 -3.831 3.101 1.00 0.00 N ATOM 1371 CA THR A 146 3.927 -4.260 3.726 1.00 0.00 C ATOM 1372 C THR A 146 3.976 -3.814 5.183 1.00 0.00 C ATOM 1373 O THR A 146 4.948 -4.075 5.891 1.00 0.00 O ATOM 1374 CB THR A 146 5.121 -3.668 2.971 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.967 -3.913 1.580 1.00 0.00 O ATOM 1376 CG2 THR A 146 6.414 -4.318 3.465 1.00 0.00 C ATOM 0 H THR A 146 2.744 -2.954 2.584 1.00 0.00 H new ATOM 0 HA THR A 146 3.975 -5.348 3.688 1.00 0.00 H new ATOM 0 HB THR A 146 5.167 -2.594 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 146 4.284 -3.312 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 146 7.262 -3.896 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 146 6.531 -4.130 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 146 6.371 -5.393 3.289 1.00 0.00 H new