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 Set 1.1: A 94 LYS NZ :NH3+ -146:sc= 0.0278 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= -0.112! C(o=-0.084!,f=-5.1!) USER MOD Single : A 97 ASN : amide:sc= -11.1! C(o=-11!,f=-9.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 111 ASN : amide:sc= -2.13! C(o=-2.1!,f=-3.1!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 81:sc= 0.435 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.6!) USER MOD Single : A 137 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.4!) USER MOD Single : A 138 TYR OH : rot -140:sc= -1.93! USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 144 MET CE :methyl 139:sc= -0.153 (180deg=-1.21) USER MOD Single : A 145 MET CE :methyl -179:sc= 0 (180deg=-0.000581) USER MOD Single : A 146 THR OG1 : rot 91:sc= 0.947 USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 3.727 -12.617 -9.845 1.00 0.00 N ATOM 382 CA GLU A 82 2.670 -11.822 -10.458 1.00 0.00 C ATOM 383 C GLU A 82 1.299 -12.359 -10.061 1.00 0.00 C ATOM 384 O GLU A 82 0.349 -11.595 -9.893 1.00 0.00 O ATOM 385 CB GLU A 82 2.811 -11.856 -11.981 1.00 0.00 C ATOM 386 CG GLU A 82 4.069 -11.093 -12.397 1.00 0.00 C ATOM 387 CD GLU A 82 4.297 -11.241 -13.897 1.00 0.00 C ATOM 388 OE1 GLU A 82 3.459 -11.842 -14.548 1.00 0.00 O ATOM 389 OE2 GLU A 82 5.310 -10.755 -14.374 1.00 0.00 O ATOM 0 HA GLU A 82 2.761 -10.794 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.868 -12.888 -12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.932 -11.411 -12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.967 -10.039 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.932 -11.473 -11.850 1.00 0.00 H new ATOM 396 N GLU A 83 1.204 -13.674 -9.908 1.00 0.00 N ATOM 397 CA GLU A 83 -0.057 -14.300 -9.526 1.00 0.00 C ATOM 398 C GLU A 83 -0.463 -13.876 -8.120 1.00 0.00 C ATOM 399 O GLU A 83 -1.648 -13.710 -7.830 1.00 0.00 O ATOM 400 CB GLU A 83 0.080 -15.823 -9.585 1.00 0.00 C ATOM 401 CG GLU A 83 0.288 -16.267 -11.034 1.00 0.00 C ATOM 402 CD GLU A 83 -0.969 -15.989 -11.852 1.00 0.00 C ATOM 403 OE1 GLU A 83 -2.022 -15.846 -11.251 1.00 0.00 O ATOM 404 OE2 GLU A 83 -0.862 -15.922 -13.065 1.00 0.00 O ATOM 0 H GLU A 83 1.979 -14.324 -10.041 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.829 -13.977 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.921 -16.146 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.813 -16.294 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.137 -15.738 -11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.525 -17.330 -11.066 1.00 0.00 H new ATOM 411 N GLU A 84 0.524 -13.701 -7.252 1.00 0.00 N ATOM 412 CA GLU A 84 0.257 -13.296 -5.876 1.00 0.00 C ATOM 413 C GLU A 84 -0.325 -11.886 -5.838 1.00 0.00 C ATOM 414 O GLU A 84 -1.186 -11.582 -5.012 1.00 0.00 O ATOM 415 CB GLU A 84 1.549 -13.342 -5.057 1.00 0.00 C ATOM 416 CG GLU A 84 1.239 -13.016 -3.593 1.00 0.00 C ATOM 417 CD GLU A 84 2.510 -13.110 -2.758 1.00 0.00 C ATOM 418 OE1 GLU A 84 3.577 -13.189 -3.345 1.00 0.00 O ATOM 419 OE2 GLU A 84 2.398 -13.101 -1.544 1.00 0.00 O ATOM 0 H GLU A 84 1.511 -13.832 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.468 -13.988 -5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.004 -14.329 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.270 -12.628 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.817 -12.014 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.489 -13.708 -3.209 1.00 0.00 H new ATOM 426 N ILE A 85 0.152 -11.031 -6.734 1.00 0.00 N ATOM 427 CA ILE A 85 -0.326 -9.655 -6.795 1.00 0.00 C ATOM 428 C ILE A 85 -1.804 -9.621 -7.175 1.00 0.00 C ATOM 429 O ILE A 85 -2.583 -8.860 -6.602 1.00 0.00 O ATOM 430 CB ILE A 85 0.486 -8.862 -7.819 1.00 0.00 C ATOM 431 CG1 ILE A 85 1.976 -8.993 -7.497 1.00 0.00 C ATOM 432 CG2 ILE A 85 0.081 -7.385 -7.758 1.00 0.00 C ATOM 433 CD1 ILE A 85 2.801 -8.310 -8.591 1.00 0.00 C ATOM 0 H ILE A 85 0.865 -11.264 -7.425 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.203 -9.203 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 85 0.292 -9.252 -8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.190 -8.539 -6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.251 -10.045 -7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.660 -6.819 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.981 -7.289 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.276 -6.995 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.862 -8.405 -8.359 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.596 -8.784 -9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.534 -7.255 -8.643 1.00 0.00 H new ATOM 445 N ARG A 86 -2.183 -10.447 -8.150 1.00 0.00 N ATOM 446 CA ARG A 86 -3.564 -10.498 -8.596 1.00 0.00 C ATOM 447 C ARG A 86 -4.483 -10.934 -7.459 1.00 0.00 C ATOM 448 O ARG A 86 -5.554 -10.360 -7.261 1.00 0.00 O ATOM 449 CB ARG A 86 -3.692 -11.481 -9.762 1.00 0.00 C ATOM 450 CG ARG A 86 -3.040 -10.885 -11.011 1.00 0.00 C ATOM 451 CD ARG A 86 -3.115 -11.894 -12.159 1.00 0.00 C ATOM 452 NE ARG A 86 -2.561 -11.315 -13.378 1.00 0.00 N ATOM 453 CZ ARG A 86 -3.259 -10.445 -14.101 1.00 0.00 C ATOM 454 NH1 ARG A 86 -4.498 -10.179 -13.786 1.00 0.00 N ATOM 455 NH2 ARG A 86 -2.707 -9.859 -15.128 1.00 0.00 N ATOM 0 H ARG A 86 -1.554 -11.083 -8.639 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.860 -9.500 -8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.215 -12.427 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.743 -11.696 -9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.545 -9.961 -11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.001 -10.630 -10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.565 -12.797 -11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.151 -12.189 -12.326 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.624 -11.582 -13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.931 -10.639 -12.985 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.033 -9.511 -14.341 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.740 -10.069 -15.376 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.243 -9.191 -15.683 1.00 0.00 H new ATOM 469 N GLU A 87 -4.053 -11.945 -6.711 1.00 0.00 N ATOM 470 CA GLU A 87 -4.843 -12.441 -5.590 1.00 0.00 C ATOM 471 C GLU A 87 -4.925 -11.392 -4.485 1.00 0.00 C ATOM 472 O GLU A 87 -5.979 -11.192 -3.882 1.00 0.00 O ATOM 473 CB GLU A 87 -4.218 -13.723 -5.039 1.00 0.00 C ATOM 474 CG GLU A 87 -4.357 -14.844 -6.070 1.00 0.00 C ATOM 475 CD GLU A 87 -3.645 -16.098 -5.576 1.00 0.00 C ATOM 476 OE1 GLU A 87 -3.070 -16.043 -4.501 1.00 0.00 O ATOM 477 OE2 GLU A 87 -3.685 -17.095 -6.279 1.00 0.00 O ATOM 0 H GLU A 87 -3.170 -12.433 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.851 -12.654 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.166 -13.557 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.708 -14.008 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.411 -15.059 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.934 -14.527 -7.023 1.00 0.00 H new ATOM 484 N ALA A 88 -3.803 -10.727 -4.226 1.00 0.00 N ATOM 485 CA ALA A 88 -3.759 -9.710 -3.181 1.00 0.00 C ATOM 486 C ALA A 88 -4.826 -8.652 -3.436 1.00 0.00 C ATOM 487 O ALA A 88 -5.486 -8.188 -2.507 1.00 0.00 O ATOM 488 CB ALA A 88 -2.379 -9.046 -3.164 1.00 0.00 C ATOM 0 H ALA A 88 -2.922 -10.872 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.947 -10.185 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.350 -8.287 -2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.615 -9.799 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.188 -8.579 -4.130 1.00 0.00 H new ATOM 494 N PHE A 89 -4.996 -8.275 -4.700 1.00 0.00 N ATOM 495 CA PHE A 89 -5.991 -7.273 -5.057 1.00 0.00 C ATOM 496 C PHE A 89 -7.376 -7.711 -4.588 1.00 0.00 C ATOM 497 O PHE A 89 -8.128 -6.918 -4.020 1.00 0.00 O ATOM 498 CB PHE A 89 -6.009 -7.078 -6.575 1.00 0.00 C ATOM 499 CG PHE A 89 -6.904 -5.913 -6.925 1.00 0.00 C ATOM 500 CD1 PHE A 89 -6.374 -4.620 -6.995 1.00 0.00 C ATOM 501 CD2 PHE A 89 -8.265 -6.127 -7.178 1.00 0.00 C ATOM 502 CE1 PHE A 89 -7.203 -3.539 -7.317 1.00 0.00 C ATOM 503 CE2 PHE A 89 -9.094 -5.045 -7.501 1.00 0.00 C ATOM 504 CZ PHE A 89 -8.564 -3.751 -7.570 1.00 0.00 C ATOM 0 H PHE A 89 -4.462 -8.645 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.729 -6.334 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.998 -6.896 -6.940 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.366 -7.984 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.324 -4.456 -6.800 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.675 -7.125 -7.124 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.793 -2.541 -7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.143 -5.209 -7.697 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.204 -2.917 -7.818 1.00 0.00 H new ATOM 514 N ARG A 90 -7.709 -8.977 -4.827 1.00 0.00 N ATOM 515 CA ARG A 90 -9.010 -9.500 -4.424 1.00 0.00 C ATOM 516 C ARG A 90 -9.186 -9.381 -2.914 1.00 0.00 C ATOM 517 O ARG A 90 -10.237 -8.956 -2.433 1.00 0.00 O ATOM 518 CB ARG A 90 -9.131 -10.970 -4.837 1.00 0.00 C ATOM 519 CG ARG A 90 -9.264 -11.061 -6.359 1.00 0.00 C ATOM 520 CD ARG A 90 -9.530 -12.513 -6.761 1.00 0.00 C ATOM 521 NE ARG A 90 -8.371 -13.343 -6.462 1.00 0.00 N ATOM 522 CZ ARG A 90 -8.395 -14.657 -6.659 1.00 0.00 C ATOM 523 NH1 ARG A 90 -9.052 -15.152 -7.672 1.00 0.00 N ATOM 524 NH2 ARG A 90 -7.766 -15.452 -5.838 1.00 0.00 N ATOM 0 H ARG A 90 -7.103 -9.653 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.787 -8.917 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.255 -11.526 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.998 -11.424 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.078 -10.422 -6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.353 -10.701 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.403 -12.890 -6.228 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.759 -12.566 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.525 -12.907 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.547 -14.530 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.071 -16.160 -7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.255 -15.065 -5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.785 -16.460 -5.990 1.00 0.00 H new ATOM 538 N VAL A 91 -8.155 -9.759 -2.168 1.00 0.00 N ATOM 539 CA VAL A 91 -8.210 -9.694 -0.712 1.00 0.00 C ATOM 540 C VAL A 91 -8.492 -8.264 -0.264 1.00 0.00 C ATOM 541 O VAL A 91 -9.272 -8.037 0.661 1.00 0.00 O ATOM 542 CB VAL A 91 -6.880 -10.165 -0.117 1.00 0.00 C ATOM 543 CG1 VAL A 91 -6.900 -9.973 1.401 1.00 0.00 C ATOM 544 CG2 VAL A 91 -6.676 -11.648 -0.439 1.00 0.00 C ATOM 0 H VAL A 91 -7.275 -10.112 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.011 -10.344 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.065 -9.582 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.953 -10.309 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.047 -8.918 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.715 -10.555 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.730 -11.985 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.493 -12.229 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.660 -11.787 -1.520 1.00 0.00 H new ATOM 554 N GLU A 92 -7.858 -7.305 -0.926 1.00 0.00 N ATOM 555 CA GLU A 92 -8.055 -5.900 -0.588 1.00 0.00 C ATOM 556 C GLU A 92 -9.433 -5.431 -1.042 1.00 0.00 C ATOM 557 O GLU A 92 -9.957 -4.440 -0.539 1.00 0.00 O ATOM 558 CB GLU A 92 -6.979 -5.045 -1.260 1.00 0.00 C ATOM 559 CG GLU A 92 -5.618 -5.363 -0.642 1.00 0.00 C ATOM 560 CD GLU A 92 -4.527 -4.553 -1.335 1.00 0.00 C ATOM 561 OE1 GLU A 92 -4.572 -4.455 -2.551 1.00 0.00 O ATOM 562 OE2 GLU A 92 -3.666 -4.041 -0.640 1.00 0.00 O ATOM 0 H GLU A 92 -7.208 -7.471 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.982 -5.792 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.959 -5.242 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.209 -3.987 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.631 -5.134 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.407 -6.428 -0.736 1.00 0.00 H new ATOM 569 N ASP A 93 -10.017 -6.152 -1.997 1.00 0.00 N ATOM 570 CA ASP A 93 -11.342 -5.803 -2.510 1.00 0.00 C ATOM 571 C ASP A 93 -12.404 -6.695 -1.878 1.00 0.00 C ATOM 572 O ASP A 93 -13.039 -7.499 -2.558 1.00 0.00 O ATOM 573 CB ASP A 93 -11.372 -5.972 -4.028 1.00 0.00 C ATOM 574 CG ASP A 93 -12.631 -5.328 -4.594 1.00 0.00 C ATOM 575 OD1 ASP A 93 -13.112 -4.378 -3.994 1.00 0.00 O ATOM 576 OD2 ASP A 93 -13.092 -5.789 -5.624 1.00 0.00 O ATOM 0 H ASP A 93 -9.598 -6.976 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.552 -4.764 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.488 -5.515 -4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.347 -7.031 -4.286 1.00 0.00 H new ATOM 581 N LYS A 94 -12.593 -6.546 -0.572 1.00 0.00 N ATOM 582 CA LYS A 94 -13.580 -7.345 0.145 1.00 0.00 C ATOM 583 C LYS A 94 -14.981 -7.103 -0.408 1.00 0.00 C ATOM 584 O LYS A 94 -15.792 -8.024 -0.495 1.00 0.00 O ATOM 585 CB LYS A 94 -13.555 -6.993 1.631 1.00 0.00 C ATOM 586 CG LYS A 94 -12.221 -7.433 2.238 1.00 0.00 C ATOM 587 CD LYS A 94 -12.135 -6.955 3.693 1.00 0.00 C ATOM 588 CE LYS A 94 -13.138 -7.729 4.556 1.00 0.00 C ATOM 589 NZ LYS A 94 -12.766 -7.595 5.989 1.00 0.00 N ATOM 0 H LYS A 94 -12.079 -5.884 0.009 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.327 -8.397 0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.690 -5.920 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.381 -7.484 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.131 -8.518 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.394 -7.022 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.124 -7.102 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.344 -5.887 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.145 -7.346 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.146 -8.780 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.003 -8.474 6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.745 -7.415 6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.290 -6.802 6.411 1.00 0.00 H new ATOM 603 N ASP A 95 -15.258 -5.858 -0.774 1.00 0.00 N ATOM 604 CA ASP A 95 -16.570 -5.503 -1.305 1.00 0.00 C ATOM 605 C ASP A 95 -16.685 -5.913 -2.769 1.00 0.00 C ATOM 606 O ASP A 95 -17.688 -5.636 -3.425 1.00 0.00 O ATOM 607 CB ASP A 95 -16.793 -3.995 -1.178 1.00 0.00 C ATOM 608 CG ASP A 95 -15.663 -3.234 -1.871 1.00 0.00 C ATOM 609 OD1 ASP A 95 -14.693 -3.865 -2.261 1.00 0.00 O ATOM 610 OD2 ASP A 95 -15.784 -2.028 -2.000 1.00 0.00 O ATOM 0 H ASP A 95 -14.599 -5.082 -0.714 1.00 0.00 H new ATOM 0 HA ASP A 95 -17.329 -6.033 -0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -17.750 -3.723 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.839 -3.714 -0.126 1.00 0.00 H new ATOM 615 N GLY A 96 -15.650 -6.576 -3.276 1.00 0.00 N ATOM 616 CA GLY A 96 -15.649 -7.025 -4.663 1.00 0.00 C ATOM 617 C GLY A 96 -15.704 -5.838 -5.619 1.00 0.00 C ATOM 618 O GLY A 96 -16.147 -5.969 -6.756 1.00 0.00 O ATOM 0 H GLY A 96 -14.808 -6.813 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.752 -7.613 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.504 -7.678 -4.839 1.00 0.00 H new ATOM 622 N ASN A 97 -15.244 -4.684 -5.155 1.00 0.00 N ATOM 623 CA ASN A 97 -15.236 -3.483 -5.969 1.00 0.00 C ATOM 624 C ASN A 97 -13.961 -3.431 -6.801 1.00 0.00 C ATOM 625 O ASN A 97 -12.854 -3.374 -6.271 1.00 0.00 O ATOM 626 CB ASN A 97 -15.342 -2.242 -5.073 1.00 0.00 C ATOM 627 CG ASN A 97 -14.846 -1.004 -5.814 1.00 0.00 C ATOM 628 OD1 ASN A 97 -14.308 -0.086 -5.194 1.00 0.00 O ATOM 629 ND2 ASN A 97 -14.973 -0.948 -7.115 1.00 0.00 N ATOM 0 H ASN A 97 -14.871 -4.557 -4.214 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.093 -3.500 -6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.377 -2.097 -4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.755 -2.390 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.624 -0.138 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.420 -1.715 -7.617 1.00 0.00 H new ATOM 636 N GLY A 98 -14.129 -3.430 -8.108 1.00 0.00 N ATOM 637 CA GLY A 98 -12.989 -3.368 -9.023 1.00 0.00 C ATOM 638 C GLY A 98 -12.078 -2.187 -8.700 1.00 0.00 C ATOM 639 O GLY A 98 -11.071 -1.971 -9.375 1.00 0.00 O ATOM 0 H GLY A 98 -15.039 -3.471 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.420 -4.296 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.348 -3.282 -10.049 1.00 0.00 H new ATOM 643 N TYR A 99 -12.424 -1.432 -7.659 1.00 0.00 N ATOM 644 CA TYR A 99 -11.626 -0.285 -7.244 1.00 0.00 C ATOM 645 C TYR A 99 -11.310 -0.367 -5.758 1.00 0.00 C ATOM 646 O TYR A 99 -12.126 -0.817 -4.962 1.00 0.00 O ATOM 647 CB TYR A 99 -12.387 1.007 -7.532 1.00 0.00 C ATOM 648 CG TYR A 99 -12.570 1.166 -9.025 1.00 0.00 C ATOM 649 CD1 TYR A 99 -11.453 1.347 -9.847 1.00 0.00 C ATOM 650 CD2 TYR A 99 -13.854 1.127 -9.588 1.00 0.00 C ATOM 651 CE1 TYR A 99 -11.617 1.492 -11.229 1.00 0.00 C ATOM 652 CE2 TYR A 99 -14.017 1.272 -10.967 1.00 0.00 C ATOM 653 CZ TYR A 99 -12.899 1.454 -11.790 1.00 0.00 C ATOM 654 OH TYR A 99 -13.061 1.599 -13.151 1.00 0.00 O ATOM 0 H TYR A 99 -13.253 -1.596 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.692 -0.291 -7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.358 0.987 -7.037 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.841 1.860 -7.129 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.464 1.375 -9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -14.717 0.985 -8.954 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.754 1.633 -11.863 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -15.006 1.244 -11.399 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.014 1.547 -13.374 1.00 0.00 H new ATOM 664 N ILE A 100 -10.107 0.061 -5.391 1.00 0.00 N ATOM 665 CA ILE A 100 -9.682 0.028 -3.990 1.00 0.00 C ATOM 666 C ILE A 100 -9.789 1.410 -3.371 1.00 0.00 C ATOM 667 O ILE A 100 -9.202 2.370 -3.866 1.00 0.00 O ATOM 668 CB ILE A 100 -8.236 -0.466 -3.897 1.00 0.00 C ATOM 669 CG1 ILE A 100 -8.064 -1.712 -4.771 1.00 0.00 C ATOM 670 CG2 ILE A 100 -7.908 -0.809 -2.444 1.00 0.00 C ATOM 671 CD1 ILE A 100 -9.123 -2.758 -4.402 1.00 0.00 C ATOM 0 H ILE A 100 -9.411 0.433 -6.037 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.334 -0.654 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.561 0.316 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.156 -1.444 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.066 -2.128 -4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.879 -1.161 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.029 0.079 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.582 -1.590 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.995 -3.642 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.010 -3.036 -3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.117 -2.341 -4.562 1.00 0.00 H new ATOM 683 N SER A 101 -10.544 1.504 -2.282 1.00 0.00 N ATOM 684 CA SER A 101 -10.727 2.781 -1.591 1.00 0.00 C ATOM 685 C SER A 101 -9.755 2.894 -0.421 1.00 0.00 C ATOM 686 O SER A 101 -8.963 1.985 -0.168 1.00 0.00 O ATOM 687 CB SER A 101 -12.162 2.896 -1.077 1.00 0.00 C ATOM 688 OG SER A 101 -13.057 2.893 -2.181 1.00 0.00 O ATOM 0 H SER A 101 -11.038 0.718 -1.859 1.00 0.00 H new ATOM 0 HA SER A 101 -10.530 3.589 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.389 2.066 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.281 3.813 -0.499 1.00 0.00 H new ATOM 0 HG SER A 101 -13.978 2.965 -1.855 1.00 0.00 H new ATOM 694 N ALA A 102 -9.820 4.017 0.288 1.00 0.00 N ATOM 695 CA ALA A 102 -8.939 4.241 1.425 1.00 0.00 C ATOM 696 C ALA A 102 -9.165 3.179 2.498 1.00 0.00 C ATOM 697 O ALA A 102 -8.217 2.615 3.035 1.00 0.00 O ATOM 698 CB ALA A 102 -9.194 5.627 2.017 1.00 0.00 C ATOM 0 H ALA A 102 -10.469 4.780 0.096 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.908 4.177 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.531 5.787 2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.003 6.387 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.231 5.697 2.347 1.00 0.00 H new ATOM 704 N ALA A 103 -10.428 2.918 2.809 1.00 0.00 N ATOM 705 CA ALA A 103 -10.766 1.935 3.832 1.00 0.00 C ATOM 706 C ALA A 103 -10.077 0.607 3.543 1.00 0.00 C ATOM 707 O ALA A 103 -9.433 0.030 4.418 1.00 0.00 O ATOM 708 CB ALA A 103 -12.283 1.722 3.866 1.00 0.00 C ATOM 0 H ALA A 103 -11.231 3.369 2.371 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.426 2.309 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.530 0.987 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.778 2.666 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -12.622 1.362 2.895 1.00 0.00 H new ATOM 714 N GLU A 104 -10.200 0.134 2.308 1.00 0.00 N ATOM 715 CA GLU A 104 -9.568 -1.125 1.917 1.00 0.00 C ATOM 716 C GLU A 104 -8.048 -0.988 1.951 1.00 0.00 C ATOM 717 O GLU A 104 -7.340 -1.919 2.336 1.00 0.00 O ATOM 718 CB GLU A 104 -10.021 -1.513 0.505 1.00 0.00 C ATOM 719 CG GLU A 104 -11.429 -2.104 0.567 1.00 0.00 C ATOM 720 CD GLU A 104 -11.978 -2.289 -0.843 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.202 -2.183 -1.778 1.00 0.00 O ATOM 722 OE2 GLU A 104 -13.166 -2.533 -0.967 1.00 0.00 O ATOM 0 H GLU A 104 -10.725 0.596 1.566 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.866 -1.902 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.010 -0.638 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.329 -2.238 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.408 -3.062 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.084 -1.446 1.138 1.00 0.00 H new ATOM 729 N LEU A 105 -7.555 0.177 1.556 1.00 0.00 N ATOM 730 CA LEU A 105 -6.122 0.427 1.555 1.00 0.00 C ATOM 731 C LEU A 105 -5.572 0.342 2.971 1.00 0.00 C ATOM 732 O LEU A 105 -4.428 -0.034 3.177 1.00 0.00 O ATOM 733 CB LEU A 105 -5.822 1.808 0.966 1.00 0.00 C ATOM 734 CG LEU A 105 -4.315 2.098 1.047 1.00 0.00 C ATOM 735 CD1 LEU A 105 -3.534 0.986 0.335 1.00 0.00 C ATOM 736 CD2 LEU A 105 -4.021 3.439 0.377 1.00 0.00 C ATOM 0 H LEU A 105 -8.123 0.960 1.234 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.640 -0.333 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.153 1.850 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.378 2.573 1.509 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.010 2.137 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.466 1.196 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.743 0.030 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.837 0.941 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.953 3.647 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.329 3.399 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.572 4.229 0.887 1.00 0.00 H new ATOM 748 N ARG A 106 -6.391 0.705 3.942 1.00 0.00 N ATOM 749 CA ARG A 106 -5.979 0.655 5.341 1.00 0.00 C ATOM 750 C ARG A 106 -5.937 -0.788 5.837 1.00 0.00 C ATOM 751 O ARG A 106 -5.153 -1.132 6.723 1.00 0.00 O ATOM 752 CB ARG A 106 -6.937 1.473 6.204 1.00 0.00 C ATOM 753 CG ARG A 106 -6.741 2.961 5.908 1.00 0.00 C ATOM 754 CD ARG A 106 -7.754 3.777 6.710 1.00 0.00 C ATOM 755 NE ARG A 106 -7.470 3.671 8.136 1.00 0.00 N ATOM 756 CZ ARG A 106 -8.309 4.162 9.042 1.00 0.00 C ATOM 757 NH1 ARG A 106 -9.554 4.389 8.721 1.00 0.00 N ATOM 758 NH2 ARG A 106 -7.890 4.415 10.252 1.00 0.00 N ATOM 0 H ARG A 106 -7.344 1.037 3.792 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.979 1.081 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.967 1.183 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.754 1.273 7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.727 3.264 6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.867 3.151 4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.717 4.822 6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.763 3.420 6.505 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.613 3.212 8.444 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.882 4.189 7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.199 4.766 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.918 4.236 10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.535 4.792 10.947 1.00 0.00 H new ATOM 772 N HIS A 107 -6.815 -1.621 5.285 1.00 0.00 N ATOM 773 CA HIS A 107 -6.892 -3.019 5.699 1.00 0.00 C ATOM 774 C HIS A 107 -5.552 -3.718 5.496 1.00 0.00 C ATOM 775 O HIS A 107 -5.111 -4.495 6.343 1.00 0.00 O ATOM 776 CB HIS A 107 -7.971 -3.744 4.885 1.00 0.00 C ATOM 777 CG HIS A 107 -8.358 -5.019 5.581 1.00 0.00 C ATOM 778 ND1 HIS A 107 -7.430 -5.824 6.222 1.00 0.00 N ATOM 779 CD2 HIS A 107 -9.572 -5.633 5.753 1.00 0.00 C ATOM 780 CE1 HIS A 107 -8.094 -6.871 6.748 1.00 0.00 C ATOM 781 NE2 HIS A 107 -9.405 -6.805 6.492 1.00 0.00 N ATOM 0 H HIS A 107 -7.478 -1.356 4.556 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.147 -3.049 6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -8.844 -3.103 4.768 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.600 -3.963 3.884 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -6.426 -5.654 6.284 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.514 -5.265 5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.625 -7.667 7.308 1.00 0.00 H new ATOM 789 N VAL A 108 -4.913 -3.445 4.366 1.00 0.00 N ATOM 790 CA VAL A 108 -3.628 -4.059 4.066 1.00 0.00 C ATOM 791 C VAL A 108 -2.560 -3.588 5.056 1.00 0.00 C ATOM 792 O VAL A 108 -1.699 -4.364 5.476 1.00 0.00 O ATOM 793 CB VAL A 108 -3.212 -3.719 2.620 1.00 0.00 C ATOM 794 CG1 VAL A 108 -2.445 -2.393 2.585 1.00 0.00 C ATOM 795 CG2 VAL A 108 -2.316 -4.831 2.069 1.00 0.00 C ATOM 0 H VAL A 108 -5.260 -2.808 3.649 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.724 -5.140 4.162 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.111 -3.629 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.158 -2.166 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.080 -1.595 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.550 -2.474 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.023 -4.589 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.425 -4.922 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.861 -5.775 2.076 1.00 0.00 H new ATOM 805 N MET A 109 -2.602 -2.303 5.386 1.00 0.00 N ATOM 806 CA MET A 109 -1.634 -1.721 6.302 1.00 0.00 C ATOM 807 C MET A 109 -1.853 -2.256 7.706 1.00 0.00 C ATOM 808 O MET A 109 -0.904 -2.486 8.451 1.00 0.00 O ATOM 809 CB MET A 109 -1.747 -0.194 6.295 1.00 0.00 C ATOM 810 CG MET A 109 -1.107 0.367 5.020 1.00 0.00 C ATOM 811 SD MET A 109 -1.259 2.168 5.013 1.00 0.00 S ATOM 812 CE MET A 109 -0.708 2.436 3.313 1.00 0.00 C ATOM 0 H MET A 109 -3.297 -1.646 5.032 1.00 0.00 H new ATOM 0 HA MET A 109 -0.633 -1.998 5.973 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.794 0.103 6.348 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.253 0.221 7.174 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.057 0.080 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.594 -0.053 4.140 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.724 3.503 3.089 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.307 2.056 3.195 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.374 1.912 2.628 1.00 0.00 H new ATOM 822 N THR A 110 -3.120 -2.443 8.064 1.00 0.00 N ATOM 823 CA THR A 110 -3.465 -2.944 9.389 1.00 0.00 C ATOM 824 C THR A 110 -2.830 -4.310 9.625 1.00 0.00 C ATOM 825 O THR A 110 -2.597 -4.707 10.766 1.00 0.00 O ATOM 826 CB THR A 110 -4.985 -3.054 9.531 1.00 0.00 C ATOM 827 OG1 THR A 110 -5.569 -1.769 9.360 1.00 0.00 O ATOM 828 CG2 THR A 110 -5.332 -3.593 10.919 1.00 0.00 C ATOM 0 H THR A 110 -3.920 -2.256 7.459 1.00 0.00 H new ATOM 0 HA THR A 110 -3.083 -2.243 10.131 1.00 0.00 H new ATOM 0 HB THR A 110 -5.373 -3.734 8.773 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.582 -1.540 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.415 -3.671 11.019 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.884 -4.578 11.049 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.945 -2.915 11.680 1.00 0.00 H new ATOM 836 N ASN A 111 -2.551 -5.021 8.538 1.00 0.00 N ATOM 837 CA ASN A 111 -1.942 -6.342 8.637 1.00 0.00 C ATOM 838 C ASN A 111 -0.624 -6.264 9.404 1.00 0.00 C ATOM 839 O ASN A 111 -0.241 -7.215 10.087 1.00 0.00 O ATOM 840 CB ASN A 111 -1.688 -6.908 7.238 1.00 0.00 C ATOM 841 CG ASN A 111 -1.242 -8.362 7.337 1.00 0.00 C ATOM 842 OD1 ASN A 111 -0.731 -8.787 8.373 1.00 0.00 O ATOM 843 ND2 ASN A 111 -1.409 -9.156 6.316 1.00 0.00 N ATOM 0 H ASN A 111 -2.735 -4.708 7.585 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.626 -6.999 9.174 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.595 -6.837 6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.924 -6.318 6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.116 -10.131 6.375 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.833 -8.802 5.458 1.00 0.00 H new ATOM 850 N LEU A 112 0.064 -5.128 9.298 1.00 0.00 N ATOM 851 CA LEU A 112 1.319 -4.945 9.990 1.00 0.00 C ATOM 852 C LEU A 112 1.086 -4.812 11.488 1.00 0.00 C ATOM 853 O LEU A 112 1.919 -5.226 12.293 1.00 0.00 O ATOM 854 CB LEU A 112 2.026 -3.691 9.455 1.00 0.00 C ATOM 855 CG LEU A 112 3.279 -3.412 10.286 1.00 0.00 C ATOM 856 CD1 LEU A 112 4.207 -4.636 10.260 1.00 0.00 C ATOM 857 CD2 LEU A 112 4.014 -2.198 9.717 1.00 0.00 C ATOM 0 H LEU A 112 -0.233 -4.328 8.739 1.00 0.00 H new ATOM 0 HA LEU A 112 1.949 -5.817 9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.296 -3.833 8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.352 -2.836 9.497 1.00 0.00 H new ATOM 0 HG LEU A 112 2.986 -3.207 11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.097 -4.430 10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.685 -5.498 10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.498 -4.850 9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.906 -2.002 10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.302 -2.398 8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.358 -1.328 9.749 1.00 0.00 H new ATOM 869 N GLY A 113 -0.040 -4.213 11.860 1.00 0.00 N ATOM 870 CA GLY A 113 -0.361 -4.015 13.271 1.00 0.00 C ATOM 871 C GLY A 113 -0.149 -2.566 13.685 1.00 0.00 C ATOM 872 O GLY A 113 -0.020 -2.267 14.871 1.00 0.00 O ATOM 0 H GLY A 113 -0.742 -3.858 11.211 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.397 -4.301 13.455 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.263 -4.666 13.884 1.00 0.00 H new ATOM 876 N GLU A 114 -0.113 -1.665 12.703 1.00 0.00 N ATOM 877 CA GLU A 114 0.080 -0.242 12.982 1.00 0.00 C ATOM 878 C GLU A 114 -0.990 0.585 12.276 1.00 0.00 C ATOM 879 O GLU A 114 -1.022 0.657 11.048 1.00 0.00 O ATOM 880 CB GLU A 114 1.465 0.196 12.507 1.00 0.00 C ATOM 881 CG GLU A 114 1.747 1.615 13.002 1.00 0.00 C ATOM 882 CD GLU A 114 1.971 1.607 14.510 1.00 0.00 C ATOM 883 OE1 GLU A 114 2.045 0.525 15.072 1.00 0.00 O ATOM 884 OE2 GLU A 114 2.065 2.680 15.081 1.00 0.00 O ATOM 0 H GLU A 114 -0.214 -1.893 11.714 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.001 -0.081 14.057 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.224 -0.490 12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.516 0.162 11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.626 2.017 12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.911 2.268 12.754 1.00 0.00 H new ATOM 891 N LYS A 115 -1.860 1.210 13.062 1.00 0.00 N ATOM 892 CA LYS A 115 -2.926 2.036 12.506 1.00 0.00 C ATOM 893 C LYS A 115 -2.405 3.428 12.173 1.00 0.00 C ATOM 894 O LYS A 115 -1.626 4.005 12.930 1.00 0.00 O ATOM 895 CB LYS A 115 -4.075 2.147 13.507 1.00 0.00 C ATOM 896 CG LYS A 115 -3.559 2.761 14.811 1.00 0.00 C ATOM 897 CD LYS A 115 -4.679 2.759 15.853 1.00 0.00 C ATOM 898 CE LYS A 115 -4.167 3.380 17.154 1.00 0.00 C ATOM 899 NZ LYS A 115 -5.237 3.315 18.191 1.00 0.00 N ATOM 0 H LYS A 115 -1.849 1.161 14.081 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.285 1.566 11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.873 2.763 13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.500 1.162 13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.704 2.194 15.179 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.214 3.780 14.634 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.536 3.321 15.482 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.020 1.740 16.034 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.279 2.849 17.498 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.873 4.416 16.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.889 3.737 19.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.072 3.840 17.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.497 2.322 18.360 1.00 0.00 H new ATOM 913 N LEU A 116 -2.837 3.961 11.032 1.00 0.00 N ATOM 914 CA LEU A 116 -2.409 5.293 10.598 1.00 0.00 C ATOM 915 C LEU A 116 -3.557 6.284 10.720 1.00 0.00 C ATOM 916 O LEU A 116 -4.718 5.894 10.846 1.00 0.00 O ATOM 917 CB LEU A 116 -1.933 5.238 9.147 1.00 0.00 C ATOM 918 CG LEU A 116 -0.861 4.153 9.000 1.00 0.00 C ATOM 919 CD1 LEU A 116 -0.435 4.056 7.534 1.00 0.00 C ATOM 920 CD2 LEU A 116 0.358 4.502 9.867 1.00 0.00 C ATOM 0 H LEU A 116 -3.480 3.495 10.392 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.589 5.621 11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.773 5.026 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.529 6.206 8.849 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.270 3.197 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.328 3.285 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.299 3.800 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.030 5.014 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.116 3.727 9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.770 5.459 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.054 4.568 10.912 1.00 0.00 H new ATOM 932 N THR A 117 -3.223 7.569 10.688 1.00 0.00 N ATOM 933 CA THR A 117 -4.236 8.611 10.800 1.00 0.00 C ATOM 934 C THR A 117 -4.981 8.776 9.480 1.00 0.00 C ATOM 935 O THR A 117 -4.529 8.305 8.438 1.00 0.00 O ATOM 936 CB THR A 117 -3.580 9.940 11.188 1.00 0.00 C ATOM 937 OG1 THR A 117 -2.609 9.710 12.201 1.00 0.00 O ATOM 938 CG2 THR A 117 -4.640 10.914 11.709 1.00 0.00 C ATOM 0 H THR A 117 -2.268 7.912 10.586 1.00 0.00 H new ATOM 0 HA THR A 117 -4.947 8.319 11.573 1.00 0.00 H new ATOM 0 HB THR A 117 -3.099 10.372 10.310 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.781 9.383 11.792 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.165 11.856 11.983 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.382 11.094 10.931 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.128 10.486 12.585 1.00 0.00 H new ATOM 946 N ASP A 118 -6.124 9.448 9.535 1.00 0.00 N ATOM 947 CA ASP A 118 -6.927 9.671 8.339 1.00 0.00 C ATOM 948 C ASP A 118 -6.195 10.580 7.356 1.00 0.00 C ATOM 949 O ASP A 118 -6.222 10.355 6.147 1.00 0.00 O ATOM 950 CB ASP A 118 -8.270 10.298 8.717 1.00 0.00 C ATOM 951 CG ASP A 118 -9.136 10.469 7.472 1.00 0.00 C ATOM 952 OD1 ASP A 118 -8.629 10.242 6.385 1.00 0.00 O ATOM 953 OD2 ASP A 118 -10.295 10.820 7.623 1.00 0.00 O ATOM 0 H ASP A 118 -6.514 9.846 10.389 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.099 8.707 7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -8.783 9.668 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -8.108 11.265 9.193 1.00 0.00 H new ATOM 958 N GLU A 119 -5.548 11.615 7.886 1.00 0.00 N ATOM 959 CA GLU A 119 -4.818 12.556 7.050 1.00 0.00 C ATOM 960 C GLU A 119 -3.619 11.879 6.397 1.00 0.00 C ATOM 961 O GLU A 119 -3.298 12.148 5.239 1.00 0.00 O ATOM 962 CB GLU A 119 -4.343 13.738 7.895 1.00 0.00 C ATOM 963 CG GLU A 119 -5.551 14.521 8.413 1.00 0.00 C ATOM 964 CD GLU A 119 -6.282 15.187 7.250 1.00 0.00 C ATOM 965 OE1 GLU A 119 -5.661 15.375 6.217 1.00 0.00 O ATOM 966 OE2 GLU A 119 -7.450 15.498 7.411 1.00 0.00 O ATOM 0 H GLU A 119 -5.516 11.820 8.885 1.00 0.00 H new ATOM 0 HA GLU A 119 -5.486 12.912 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -3.743 13.381 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.704 14.389 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.228 13.851 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.225 15.276 9.128 1.00 0.00 H new ATOM 973 N GLU A 120 -2.961 11.001 7.145 1.00 0.00 N ATOM 974 CA GLU A 120 -1.799 10.290 6.625 1.00 0.00 C ATOM 975 C GLU A 120 -2.179 9.444 5.415 1.00 0.00 C ATOM 976 O GLU A 120 -1.480 9.446 4.402 1.00 0.00 O ATOM 977 CB GLU A 120 -1.208 9.389 7.714 1.00 0.00 C ATOM 978 CG GLU A 120 -0.488 10.247 8.756 1.00 0.00 C ATOM 979 CD GLU A 120 0.022 9.368 9.892 1.00 0.00 C ATOM 980 OE1 GLU A 120 -0.714 8.489 10.310 1.00 0.00 O ATOM 981 OE2 GLU A 120 1.140 9.586 10.329 1.00 0.00 O ATOM 0 H GLU A 120 -3.209 10.766 8.106 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.057 11.027 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.999 8.809 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.512 8.676 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.345 10.775 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.167 11.004 9.148 1.00 0.00 H new ATOM 988 N VAL A 121 -3.291 8.729 5.524 1.00 0.00 N ATOM 989 CA VAL A 121 -3.754 7.885 4.431 1.00 0.00 C ATOM 990 C VAL A 121 -4.068 8.734 3.202 1.00 0.00 C ATOM 991 O VAL A 121 -3.691 8.388 2.086 1.00 0.00 O ATOM 992 CB VAL A 121 -5.006 7.117 4.857 1.00 0.00 C ATOM 993 CG1 VAL A 121 -5.576 6.355 3.658 1.00 0.00 C ATOM 994 CG2 VAL A 121 -4.640 6.124 5.961 1.00 0.00 C ATOM 0 H VAL A 121 -3.886 8.716 6.353 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.964 7.177 4.181 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.753 7.819 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.468 5.809 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.836 7.060 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.830 5.652 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.531 5.575 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.893 5.424 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.235 6.664 6.817 1.00 0.00 H new ATOM 1004 N ASP A 122 -4.767 9.843 3.415 1.00 0.00 N ATOM 1005 CA ASP A 122 -5.133 10.725 2.312 1.00 0.00 C ATOM 1006 C ASP A 122 -3.891 11.213 1.578 1.00 0.00 C ATOM 1007 O ASP A 122 -3.818 11.156 0.351 1.00 0.00 O ATOM 1008 CB ASP A 122 -5.914 11.927 2.846 1.00 0.00 C ATOM 1009 CG ASP A 122 -6.526 12.707 1.688 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -6.002 12.609 0.590 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -7.509 13.393 1.915 1.00 0.00 O ATOM 0 H ASP A 122 -5.089 10.151 4.332 1.00 0.00 H new ATOM 0 HA ASP A 122 -5.755 10.164 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.699 11.590 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -5.253 12.574 3.422 1.00 0.00 H new ATOM 1016 N GLU A 123 -2.913 11.688 2.338 1.00 0.00 N ATOM 1017 CA GLU A 123 -1.673 12.179 1.749 1.00 0.00 C ATOM 1018 C GLU A 123 -0.896 11.039 1.100 1.00 0.00 C ATOM 1019 O GLU A 123 -0.308 11.206 0.033 1.00 0.00 O ATOM 1020 CB GLU A 123 -0.807 12.843 2.824 1.00 0.00 C ATOM 1021 CG GLU A 123 -1.467 14.145 3.281 1.00 0.00 C ATOM 1022 CD GLU A 123 -0.660 14.767 4.416 1.00 0.00 C ATOM 1023 OE1 GLU A 123 0.314 14.159 4.828 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -1.027 15.846 4.854 1.00 0.00 O ATOM 0 H GLU A 123 -2.953 11.744 3.356 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.926 12.912 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.682 12.170 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.188 13.047 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.533 14.842 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.486 13.949 3.613 1.00 0.00 H new ATOM 1031 N MET A 124 -0.889 9.878 1.753 1.00 0.00 N ATOM 1032 CA MET A 124 -0.174 8.729 1.230 1.00 0.00 C ATOM 1033 C MET A 124 -0.721 8.334 -0.139 1.00 0.00 C ATOM 1034 O MET A 124 0.041 8.077 -1.069 1.00 0.00 O ATOM 1035 CB MET A 124 -0.311 7.553 2.199 1.00 0.00 C ATOM 1036 CG MET A 124 0.548 6.386 1.716 1.00 0.00 C ATOM 1037 SD MET A 124 2.297 6.822 1.867 1.00 0.00 S ATOM 1038 CE MET A 124 2.981 5.189 1.484 1.00 0.00 C ATOM 0 H MET A 124 -1.368 9.715 2.638 1.00 0.00 H new ATOM 0 HA MET A 124 0.878 8.992 1.122 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.001 7.855 3.199 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.354 7.245 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.332 5.494 2.304 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.309 6.149 0.679 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.069 5.232 1.522 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.621 4.464 2.213 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.665 4.887 0.486 1.00 0.00 H new ATOM 1048 N ILE A 125 -2.046 8.275 -0.250 1.00 0.00 N ATOM 1049 CA ILE A 125 -2.678 7.900 -1.504 1.00 0.00 C ATOM 1050 C ILE A 125 -2.354 8.922 -2.585 1.00 0.00 C ATOM 1051 O ILE A 125 -2.059 8.561 -3.717 1.00 0.00 O ATOM 1052 CB ILE A 125 -4.194 7.814 -1.316 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -4.521 6.647 -0.383 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -4.866 7.582 -2.673 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -5.998 6.709 0.015 1.00 0.00 C ATOM 0 H ILE A 125 -2.695 8.481 0.509 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.295 6.927 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.561 8.745 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.307 5.700 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.892 6.691 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -5.946 7.521 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.630 8.409 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.501 6.650 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.231 5.877 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -6.198 7.650 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -6.619 6.644 -0.879 1.00 0.00 H new ATOM 1067 N ARG A 126 -2.419 10.199 -2.230 1.00 0.00 N ATOM 1068 CA ARG A 126 -2.137 11.262 -3.187 1.00 0.00 C ATOM 1069 C ARG A 126 -0.719 11.147 -3.728 1.00 0.00 C ATOM 1070 O ARG A 126 -0.486 11.314 -4.925 1.00 0.00 O ATOM 1071 CB ARG A 126 -2.318 12.623 -2.518 1.00 0.00 C ATOM 1072 CG ARG A 126 -3.815 12.902 -2.309 1.00 0.00 C ATOM 1073 CD ARG A 126 -4.413 13.527 -3.576 1.00 0.00 C ATOM 1074 NE ARG A 126 -5.798 13.907 -3.346 1.00 0.00 N ATOM 1075 CZ ARG A 126 -6.106 15.051 -2.746 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -5.703 16.183 -3.256 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -6.808 15.043 -1.648 1.00 0.00 N ATOM 0 H ARG A 126 -2.663 10.523 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.835 11.165 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.798 12.640 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.875 13.404 -3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -4.336 11.975 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.954 13.574 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.832 14.402 -3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.356 12.818 -4.402 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.546 13.284 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.152 16.188 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.939 17.062 -2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.121 14.158 -1.249 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.044 15.922 -1.187 1.00 0.00 H new ATOM 1091 N GLU A 127 0.222 10.864 -2.838 1.00 0.00 N ATOM 1092 CA GLU A 127 1.616 10.729 -3.234 1.00 0.00 C ATOM 1093 C GLU A 127 1.815 9.500 -4.112 1.00 0.00 C ATOM 1094 O GLU A 127 2.587 9.529 -5.070 1.00 0.00 O ATOM 1095 CB GLU A 127 2.504 10.622 -1.994 1.00 0.00 C ATOM 1096 CG GLU A 127 2.497 11.953 -1.241 1.00 0.00 C ATOM 1097 CD GLU A 127 3.182 13.031 -2.071 1.00 0.00 C ATOM 1098 OE1 GLU A 127 3.926 12.674 -2.969 1.00 0.00 O ATOM 1099 OE2 GLU A 127 2.946 14.198 -1.804 1.00 0.00 O ATOM 0 H GLU A 127 0.047 10.724 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 127 1.894 11.614 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.145 9.824 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.522 10.363 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.471 12.250 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.008 11.841 -0.285 1.00 0.00 H new ATOM 1106 N ALA A 128 1.123 8.416 -3.773 1.00 0.00 N ATOM 1107 CA ALA A 128 1.243 7.175 -4.531 1.00 0.00 C ATOM 1108 C ALA A 128 0.318 7.192 -5.744 1.00 0.00 C ATOM 1109 O ALA A 128 0.566 6.503 -6.733 1.00 0.00 O ATOM 1110 CB ALA A 128 0.888 5.986 -3.636 1.00 0.00 C ATOM 0 H ALA A 128 0.478 8.371 -2.984 1.00 0.00 H new ATOM 0 HA ALA A 128 2.272 7.081 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.979 5.061 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.568 5.956 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.136 6.093 -3.279 1.00 0.00 H new ATOM 1116 N ASP A 129 -0.746 7.982 -5.661 1.00 0.00 N ATOM 1117 CA ASP A 129 -1.704 8.074 -6.757 1.00 0.00 C ATOM 1118 C ASP A 129 -1.163 8.966 -7.868 1.00 0.00 C ATOM 1119 O ASP A 129 -1.209 10.193 -7.772 1.00 0.00 O ATOM 1120 CB ASP A 129 -3.029 8.643 -6.247 1.00 0.00 C ATOM 1121 CG ASP A 129 -4.026 8.754 -7.393 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -3.817 8.097 -8.399 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -4.984 9.494 -7.249 1.00 0.00 O ATOM 0 H ASP A 129 -0.967 8.564 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.867 7.073 -7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -3.433 8.000 -5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.865 9.624 -5.801 1.00 0.00 H new ATOM 1128 N ILE A 130 -0.649 8.340 -8.922 1.00 0.00 N ATOM 1129 CA ILE A 130 -0.099 9.084 -10.047 1.00 0.00 C ATOM 1130 C ILE A 130 -1.211 9.806 -10.802 1.00 0.00 C ATOM 1131 O ILE A 130 -0.975 10.823 -11.452 1.00 0.00 O ATOM 1132 CB ILE A 130 0.629 8.132 -10.997 1.00 0.00 C ATOM 1133 CG1 ILE A 130 1.677 7.335 -10.216 1.00 0.00 C ATOM 1134 CG2 ILE A 130 1.323 8.942 -12.097 1.00 0.00 C ATOM 1135 CD1 ILE A 130 2.227 6.212 -11.095 1.00 0.00 C ATOM 0 H ILE A 130 -0.602 7.326 -9.020 1.00 0.00 H new ATOM 0 HA ILE A 130 0.606 9.822 -9.663 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.090 7.447 -11.446 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.487 7.992 -9.899 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.233 6.918 -9.312 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.842 8.265 -12.775 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.579 9.512 -12.653 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.042 9.626 -11.646 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.973 5.646 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.414 5.549 -11.390 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.687 6.639 -11.986 1.00 0.00 H new ATOM 1147 N ASP A 131 -2.425 9.267 -10.715 1.00 0.00 N ATOM 1148 CA ASP A 131 -3.567 9.865 -11.400 1.00 0.00 C ATOM 1149 C ASP A 131 -4.169 10.983 -10.556 1.00 0.00 C ATOM 1150 O ASP A 131 -5.126 11.638 -10.969 1.00 0.00 O ATOM 1151 CB ASP A 131 -4.631 8.801 -11.666 1.00 0.00 C ATOM 1152 CG ASP A 131 -4.054 7.692 -12.538 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -3.197 7.991 -13.353 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -4.475 6.558 -12.373 1.00 0.00 O ATOM 0 H ASP A 131 -2.642 8.425 -10.182 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.222 10.281 -12.347 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.985 8.386 -10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.492 9.252 -12.159 1.00 0.00 H new ATOM 1159 N GLY A 132 -3.599 11.200 -9.373 1.00 0.00 N ATOM 1160 CA GLY A 132 -4.085 12.248 -8.483 1.00 0.00 C ATOM 1161 C GLY A 132 -5.607 12.254 -8.436 1.00 0.00 C ATOM 1162 O GLY A 132 -6.224 13.287 -8.176 1.00 0.00 O ATOM 0 H GLY A 132 -2.807 10.668 -9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -3.686 12.094 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -3.723 13.218 -8.824 1.00 0.00 H new ATOM 1166 N ASP A 133 -6.211 11.100 -8.707 1.00 0.00 N ATOM 1167 CA ASP A 133 -7.668 10.990 -8.704 1.00 0.00 C ATOM 1168 C ASP A 133 -8.172 10.593 -7.322 1.00 0.00 C ATOM 1169 O ASP A 133 -9.378 10.554 -7.082 1.00 0.00 O ATOM 1170 CB ASP A 133 -8.108 9.944 -9.730 1.00 0.00 C ATOM 1171 CG ASP A 133 -7.401 8.618 -9.464 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -6.865 8.463 -8.380 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -7.402 7.781 -10.351 1.00 0.00 O ATOM 0 H ASP A 133 -5.720 10.234 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 133 -8.091 11.960 -8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.188 9.806 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -7.878 10.292 -10.737 1.00 0.00 H new ATOM 1178 N GLY A 134 -7.243 10.307 -6.417 1.00 0.00 N ATOM 1179 CA GLY A 134 -7.608 9.919 -5.061 1.00 0.00 C ATOM 1180 C GLY A 134 -8.118 8.486 -5.022 1.00 0.00 C ATOM 1181 O GLY A 134 -8.520 7.992 -3.971 1.00 0.00 O ATOM 0 H GLY A 134 -6.239 10.336 -6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.743 10.019 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.376 10.592 -4.681 1.00 0.00 H new ATOM 1185 N GLN A 135 -8.100 7.821 -6.174 1.00 0.00 N ATOM 1186 CA GLN A 135 -8.566 6.435 -6.265 1.00 0.00 C ATOM 1187 C GLN A 135 -7.521 5.573 -6.958 1.00 0.00 C ATOM 1188 O GLN A 135 -6.854 6.017 -7.895 1.00 0.00 O ATOM 1189 CB GLN A 135 -9.880 6.377 -7.044 1.00 0.00 C ATOM 1190 CG GLN A 135 -10.357 4.925 -7.127 1.00 0.00 C ATOM 1191 CD GLN A 135 -11.751 4.869 -7.739 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -12.544 5.793 -7.566 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -12.098 3.833 -8.452 1.00 0.00 N ATOM 0 H GLN A 135 -7.770 8.215 -7.055 1.00 0.00 H new ATOM 0 HA GLN A 135 -8.728 6.054 -5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -10.634 6.992 -6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -9.740 6.783 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.663 4.339 -7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.369 4.480 -6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -11.439 3.068 -8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -13.029 3.788 -8.867 1.00 0.00 H new ATOM 1202 N VAL A 136 -7.382 4.335 -6.492 1.00 0.00 N ATOM 1203 CA VAL A 136 -6.410 3.411 -7.073 1.00 0.00 C ATOM 1204 C VAL A 136 -7.098 2.470 -8.056 1.00 0.00 C ATOM 1205 O VAL A 136 -8.034 1.757 -7.695 1.00 0.00 O ATOM 1206 CB VAL A 136 -5.743 2.593 -5.967 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -4.759 1.602 -6.591 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -4.990 3.535 -5.025 1.00 0.00 C ATOM 0 H VAL A 136 -7.925 3.950 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 136 -5.653 3.990 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.502 2.047 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.282 1.018 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.294 0.934 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.998 2.147 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -4.513 2.955 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.229 4.079 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -5.690 4.243 -4.583 1.00 0.00 H new ATOM 1218 N ASN A 137 -6.625 2.474 -9.298 1.00 0.00 N ATOM 1219 CA ASN A 137 -7.197 1.614 -10.335 1.00 0.00 C ATOM 1220 C ASN A 137 -6.400 0.321 -10.457 1.00 0.00 C ATOM 1221 O ASN A 137 -5.261 0.237 -9.993 1.00 0.00 O ATOM 1222 CB ASN A 137 -7.200 2.344 -11.677 1.00 0.00 C ATOM 1223 CG ASN A 137 -8.192 3.502 -11.638 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -9.230 3.411 -10.983 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -7.932 4.593 -12.305 1.00 0.00 N ATOM 0 H ASN A 137 -5.851 3.059 -9.613 1.00 0.00 H new ATOM 0 HA ASN A 137 -8.222 1.370 -10.054 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -6.201 2.718 -11.899 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.467 1.652 -12.476 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.590 5.372 -12.284 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.071 4.666 -12.847 1.00 0.00 H new ATOM 1232 N TYR A 138 -7.005 -0.687 -11.076 1.00 0.00 N ATOM 1233 CA TYR A 138 -6.341 -1.974 -11.246 1.00 0.00 C ATOM 1234 C TYR A 138 -5.048 -1.805 -12.038 1.00 0.00 C ATOM 1235 O TYR A 138 -3.993 -2.291 -11.635 1.00 0.00 O ATOM 1236 CB TYR A 138 -7.267 -2.942 -11.982 1.00 0.00 C ATOM 1237 CG TYR A 138 -6.575 -4.274 -12.149 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -6.622 -5.220 -11.118 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -5.886 -4.562 -13.332 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -5.979 -6.454 -11.272 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -5.243 -5.795 -13.487 1.00 0.00 C ATOM 1242 CZ TYR A 138 -5.290 -6.742 -12.455 1.00 0.00 C ATOM 1243 OH TYR A 138 -4.657 -7.959 -12.607 1.00 0.00 O ATOM 0 H TYR A 138 -7.946 -0.639 -11.466 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.103 -2.375 -10.261 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.195 -3.070 -11.424 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.535 -2.535 -12.957 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.154 -4.998 -10.205 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.850 -3.832 -14.127 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -6.015 -7.184 -10.477 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -4.711 -6.017 -14.401 1.00 0.00 H new ATOM 0 HH TYR A 138 -3.797 -7.826 -13.057 1.00 0.00 H new ATOM 1253 N GLU A 139 -5.138 -1.106 -13.164 1.00 0.00 N ATOM 1254 CA GLU A 139 -3.967 -0.872 -14.003 1.00 0.00 C ATOM 1255 C GLU A 139 -2.902 -0.096 -13.229 1.00 0.00 C ATOM 1256 O GLU A 139 -1.711 -0.385 -13.342 1.00 0.00 O ATOM 1257 CB GLU A 139 -4.364 -0.085 -15.252 1.00 0.00 C ATOM 1258 CG GLU A 139 -5.298 -0.934 -16.118 1.00 0.00 C ATOM 1259 CD GLU A 139 -6.680 -1.008 -15.476 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -6.981 -0.153 -14.658 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -7.417 -1.920 -15.810 1.00 0.00 O ATOM 0 H GLU A 139 -6.002 -0.694 -13.516 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.558 -1.838 -14.299 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.859 0.843 -14.967 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -3.475 0.189 -15.819 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.374 -0.503 -17.116 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -4.888 -1.937 -16.235 1.00 0.00 H new ATOM 1268 N GLU A 140 -3.334 0.883 -12.434 1.00 0.00 N ATOM 1269 CA GLU A 140 -2.415 1.676 -11.648 1.00 0.00 C ATOM 1270 C GLU A 140 -1.833 0.846 -10.508 1.00 0.00 C ATOM 1271 O GLU A 140 -0.660 0.991 -10.160 1.00 0.00 O ATOM 1272 CB GLU A 140 -3.150 2.900 -11.078 1.00 0.00 C ATOM 1273 CG GLU A 140 -2.145 4.007 -10.801 1.00 0.00 C ATOM 1274 CD GLU A 140 -2.817 5.161 -10.059 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -3.289 4.938 -8.956 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -2.856 6.249 -10.608 1.00 0.00 O ATOM 0 H GLU A 140 -4.315 1.139 -12.324 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.598 2.007 -12.289 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.904 3.247 -11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.673 2.630 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.318 3.617 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.722 4.366 -11.739 1.00 0.00 H new ATOM 1283 N PHE A 141 -2.662 -0.013 -9.922 1.00 0.00 N ATOM 1284 CA PHE A 141 -2.216 -0.852 -8.817 1.00 0.00 C ATOM 1285 C PHE A 141 -1.076 -1.761 -9.263 1.00 0.00 C ATOM 1286 O PHE A 141 -0.049 -1.860 -8.592 1.00 0.00 O ATOM 1287 CB PHE A 141 -3.380 -1.704 -8.306 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.897 -2.604 -7.194 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.645 -2.073 -5.923 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -2.701 -3.970 -7.433 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.196 -2.907 -4.892 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -2.254 -4.803 -6.402 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.001 -4.273 -5.132 1.00 0.00 C ATOM 0 H PHE A 141 -3.637 -0.145 -10.191 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.859 -0.206 -8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.183 -1.062 -7.945 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.791 -2.302 -9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.797 -1.020 -5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.895 -4.380 -8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.000 -2.497 -3.912 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.104 -5.857 -6.586 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.655 -4.917 -4.337 1.00 0.00 H new ATOM 1303 N VAL A 142 -1.265 -2.427 -10.397 1.00 0.00 N ATOM 1304 CA VAL A 142 -0.248 -3.333 -10.914 1.00 0.00 C ATOM 1305 C VAL A 142 1.062 -2.582 -11.136 1.00 0.00 C ATOM 1306 O VAL A 142 2.130 -3.064 -10.762 1.00 0.00 O ATOM 1307 CB VAL A 142 -0.717 -3.937 -12.242 1.00 0.00 C ATOM 1308 CG1 VAL A 142 0.412 -4.773 -12.854 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -1.935 -4.829 -11.995 1.00 0.00 C ATOM 0 H VAL A 142 -2.105 -2.357 -10.971 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.087 -4.129 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.986 -3.135 -12.929 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.076 -5.202 -13.798 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.280 -4.138 -13.032 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.684 -5.575 -12.168 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.269 -5.259 -12.939 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.666 -5.630 -11.307 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.740 -4.234 -11.562 1.00 0.00 H new ATOM 1319 N GLN A 143 0.973 -1.399 -11.737 1.00 0.00 N ATOM 1320 CA GLN A 143 2.164 -0.596 -11.991 1.00 0.00 C ATOM 1321 C GLN A 143 2.824 -0.180 -10.681 1.00 0.00 C ATOM 1322 O GLN A 143 4.036 -0.312 -10.514 1.00 0.00 O ATOM 1323 CB GLN A 143 1.783 0.651 -12.791 1.00 0.00 C ATOM 1324 CG GLN A 143 1.387 0.245 -14.212 1.00 0.00 C ATOM 1325 CD GLN A 143 1.000 1.481 -15.017 1.00 0.00 C ATOM 1326 OE1 GLN A 143 1.706 2.489 -14.985 1.00 0.00 O ATOM 1327 NE2 GLN A 143 -0.082 1.462 -15.746 1.00 0.00 N ATOM 0 H GLN A 143 0.099 -0.979 -12.054 1.00 0.00 H new ATOM 0 HA GLN A 143 2.872 -1.197 -12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.956 1.169 -12.306 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.621 1.347 -12.821 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.216 -0.270 -14.697 1.00 0.00 H new ATOM 0 HG3 GLN A 143 0.552 -0.455 -14.180 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -0.665 0.626 -15.771 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -0.344 2.283 -16.291 1.00 0.00 H new ATOM 1336 N MET A 144 2.018 0.320 -9.752 1.00 0.00 N ATOM 1337 CA MET A 144 2.527 0.753 -8.455 1.00 0.00 C ATOM 1338 C MET A 144 3.211 -0.406 -7.741 1.00 0.00 C ATOM 1339 O MET A 144 4.144 -0.206 -6.964 1.00 0.00 O ATOM 1340 CB MET A 144 1.389 1.292 -7.591 1.00 0.00 C ATOM 1341 CG MET A 144 1.961 1.863 -6.292 1.00 0.00 C ATOM 1342 SD MET A 144 0.623 2.589 -5.314 1.00 0.00 S ATOM 1343 CE MET A 144 -0.264 1.052 -4.956 1.00 0.00 C ATOM 0 H MET A 144 1.012 0.436 -9.871 1.00 0.00 H new ATOM 0 HA MET A 144 3.255 1.548 -8.619 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.843 2.065 -8.131 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.678 0.496 -7.369 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.456 1.076 -5.723 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.715 2.618 -6.515 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.605 1.062 -3.921 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.123 0.965 -5.621 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.402 0.203 -5.111 1.00 0.00 H new ATOM 1353 N MET A 145 2.732 -1.619 -8.000 1.00 0.00 N ATOM 1354 CA MET A 145 3.304 -2.810 -7.378 1.00 0.00 C ATOM 1355 C MET A 145 4.465 -3.351 -8.198 1.00 0.00 C ATOM 1356 O MET A 145 5.419 -3.903 -7.649 1.00 0.00 O ATOM 1357 CB MET A 145 2.228 -3.885 -7.234 1.00 0.00 C ATOM 1358 CG MET A 145 1.189 -3.433 -6.203 1.00 0.00 C ATOM 1359 SD MET A 145 1.938 -3.372 -4.555 1.00 0.00 S ATOM 1360 CE MET A 145 1.665 -5.106 -4.116 1.00 0.00 C ATOM 0 H MET A 145 1.953 -1.803 -8.633 1.00 0.00 H new ATOM 0 HA MET A 145 3.680 -2.534 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.747 -4.065 -8.196 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.679 -4.827 -6.922 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.801 -2.450 -6.472 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.343 -4.120 -6.202 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.042 -5.290 -3.110 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.598 -5.326 -4.150 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.190 -5.748 -4.824 1.00 0.00 H new ATOM 1370 N THR A 146 4.380 -3.197 -9.515 1.00 0.00 N ATOM 1371 CA THR A 146 5.433 -3.680 -10.404 1.00 0.00 C ATOM 1372 C THR A 146 6.400 -2.552 -10.750 1.00 0.00 C ATOM 1373 O THR A 146 7.259 -2.701 -11.617 1.00 0.00 O ATOM 1374 CB THR A 146 4.812 -4.245 -11.691 1.00 0.00 C ATOM 1375 OG1 THR A 146 3.568 -4.857 -11.383 1.00 0.00 O ATOM 1376 CG2 THR A 146 5.755 -5.283 -12.304 1.00 0.00 C ATOM 0 H THR A 146 3.598 -2.745 -9.989 1.00 0.00 H new ATOM 0 HA THR A 146 5.985 -4.469 -9.892 1.00 0.00 H new ATOM 0 HB THR A 146 4.655 -3.436 -12.404 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.848 -4.199 -11.474 1.00 0.00 H new ATOM 0 HG21 THR A 146 5.313 -5.682 -13.217 1.00 0.00 H new ATOM 0 HG22 THR A 146 6.710 -4.813 -12.539 1.00 0.00 H new ATOM 0 HG23 THR A 146 5.915 -6.094 -11.593 1.00 0.00 H new