USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=14 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 107 HIS : no HE2:sc= -0.156! C(o=-0.21!,f=-4.9!) USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= -0.0549 F(o=-2.6!,f=-0.21) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.0723 (180deg=-0.535) USER MOD Single : A 97 ASN : amide:sc= -4.44! C(o=-4.4!,f=-7.4!) 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 -169:sc= 0 (180deg=-0.0247) USER MOD Single : A 110 THR OG1 : rot 72:sc= 0.723 USER MOD Single : A 115 LYS NZ :NH3+ 137:sc= -1.81 (180deg=-3.55!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 124 MET CE :methyl 170:sc= 0 (180deg=-0.198) USER MOD Single : A 135 GLN : amide:sc= -2.21 X(o=-2.2,f=-2) USER MOD Single : A 137 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0039 K(o=-0.0039,f=-1.7!) USER MOD Single : A 144 MET CE :methyl -135:sc= -0.341 (180deg=-3.06!) USER MOD Single : A 145 MET CE :methyl -154:sc= -0.104 (180deg=-0.874) USER MOD Single : A 146 THR OG1 : rot -79:sc= -1.41! USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 8.127 -4.691 -10.678 1.00 0.00 N ATOM 382 CA GLU A 82 7.034 -4.167 -11.489 1.00 0.00 C ATOM 383 C GLU A 82 5.955 -5.227 -11.682 1.00 0.00 C ATOM 384 O GLU A 82 4.770 -4.953 -11.499 1.00 0.00 O ATOM 385 CB GLU A 82 7.569 -3.743 -12.860 1.00 0.00 C ATOM 386 CG GLU A 82 8.492 -2.534 -12.702 1.00 0.00 C ATOM 387 CD GLU A 82 9.079 -2.142 -14.054 1.00 0.00 C ATOM 388 OE1 GLU A 82 9.438 -3.036 -14.804 1.00 0.00 O ATOM 389 OE2 GLU A 82 9.161 -0.955 -14.321 1.00 0.00 O ATOM 0 HA GLU A 82 6.602 -3.308 -10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.111 -4.569 -13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.741 -3.496 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.937 -1.696 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.295 -2.768 -12.003 1.00 0.00 H new ATOM 396 N GLU A 83 6.369 -6.435 -12.043 1.00 0.00 N ATOM 397 CA GLU A 83 5.420 -7.521 -12.257 1.00 0.00 C ATOM 398 C GLU A 83 4.656 -7.834 -10.974 1.00 0.00 C ATOM 399 O GLU A 83 3.442 -8.042 -10.997 1.00 0.00 O ATOM 400 CB GLU A 83 6.164 -8.772 -12.732 1.00 0.00 C ATOM 401 CG GLU A 83 6.998 -9.341 -11.579 1.00 0.00 C ATOM 402 CD GLU A 83 7.992 -10.366 -12.109 1.00 0.00 C ATOM 403 OE1 GLU A 83 8.827 -9.991 -12.914 1.00 0.00 O ATOM 404 OE2 GLU A 83 7.902 -11.513 -11.702 1.00 0.00 O ATOM 0 H GLU A 83 7.346 -6.687 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 83 4.705 -7.209 -13.018 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.453 -9.519 -13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.810 -8.526 -13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.530 -8.536 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.344 -9.805 -10.841 1.00 0.00 H new ATOM 411 N GLU A 84 5.374 -7.871 -9.858 1.00 0.00 N ATOM 412 CA GLU A 84 4.754 -8.165 -8.573 1.00 0.00 C ATOM 413 C GLU A 84 3.731 -7.096 -8.214 1.00 0.00 C ATOM 414 O GLU A 84 2.643 -7.405 -7.731 1.00 0.00 O ATOM 415 CB GLU A 84 5.826 -8.242 -7.482 1.00 0.00 C ATOM 416 CG GLU A 84 6.618 -9.543 -7.629 1.00 0.00 C ATOM 417 CD GLU A 84 7.780 -9.560 -6.642 1.00 0.00 C ATOM 418 OE1 GLU A 84 7.898 -8.615 -5.879 1.00 0.00 O ATOM 419 OE2 GLU A 84 8.537 -10.518 -6.663 1.00 0.00 O ATOM 0 H GLU A 84 6.379 -7.702 -9.817 1.00 0.00 H new ATOM 0 HA GLU A 84 4.244 -9.125 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.497 -7.386 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.361 -8.197 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.966 -10.398 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.994 -9.636 -8.648 1.00 0.00 H new ATOM 426 N ILE A 85 4.089 -5.837 -8.448 1.00 0.00 N ATOM 427 CA ILE A 85 3.190 -4.734 -8.137 1.00 0.00 C ATOM 428 C ILE A 85 1.915 -4.833 -8.973 1.00 0.00 C ATOM 429 O ILE A 85 0.809 -4.699 -8.451 1.00 0.00 O ATOM 430 CB ILE A 85 3.887 -3.402 -8.427 1.00 0.00 C ATOM 431 CG1 ILE A 85 5.061 -3.224 -7.459 1.00 0.00 C ATOM 432 CG2 ILE A 85 2.895 -2.251 -8.236 1.00 0.00 C ATOM 433 CD1 ILE A 85 5.937 -2.061 -7.928 1.00 0.00 C ATOM 0 H ILE A 85 4.985 -5.558 -8.847 1.00 0.00 H new ATOM 0 HA ILE A 85 2.926 -4.787 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 85 4.252 -3.400 -9.454 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.690 -3.031 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.649 -4.140 -7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.393 -1.304 -8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.056 -2.377 -8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.530 -2.252 -7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.772 -1.934 -7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.319 -2.273 -8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.345 -1.146 -7.952 1.00 0.00 H new ATOM 445 N ARG A 86 2.080 -5.074 -10.269 1.00 0.00 N ATOM 446 CA ARG A 86 0.934 -5.192 -11.164 1.00 0.00 C ATOM 447 C ARG A 86 0.045 -6.355 -10.737 1.00 0.00 C ATOM 448 O ARG A 86 -1.179 -6.232 -10.703 1.00 0.00 O ATOM 449 CB ARG A 86 1.414 -5.413 -12.600 1.00 0.00 C ATOM 450 CG ARG A 86 0.206 -5.479 -13.538 1.00 0.00 C ATOM 451 CD ARG A 86 0.688 -5.527 -14.988 1.00 0.00 C ATOM 452 NE ARG A 86 1.293 -4.252 -15.361 1.00 0.00 N ATOM 453 CZ ARG A 86 1.836 -4.074 -16.561 1.00 0.00 C ATOM 454 NH1 ARG A 86 1.930 -5.077 -17.390 1.00 0.00 N ATOM 455 NH2 ARG A 86 2.273 -2.895 -16.909 1.00 0.00 N ATOM 0 H ARG A 86 2.987 -5.191 -10.720 1.00 0.00 H new ATOM 0 HA ARG A 86 0.357 -4.269 -11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.078 -4.603 -12.901 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.989 -6.337 -12.664 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.394 -6.361 -13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.434 -4.610 -13.385 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.413 -6.332 -15.111 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.149 -5.748 -15.650 1.00 0.00 H new ATOM 0 HE ARG A 86 1.299 -3.485 -14.689 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.587 -5.998 -17.117 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.347 -4.940 -18.311 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.198 -2.111 -16.260 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.690 -2.757 -17.830 1.00 0.00 H new ATOM 469 N GLU A 87 0.670 -7.480 -10.408 1.00 0.00 N ATOM 470 CA GLU A 87 -0.077 -8.657 -9.982 1.00 0.00 C ATOM 471 C GLU A 87 -0.760 -8.400 -8.641 1.00 0.00 C ATOM 472 O GLU A 87 -1.907 -8.795 -8.434 1.00 0.00 O ATOM 473 CB GLU A 87 0.866 -9.856 -9.855 1.00 0.00 C ATOM 474 CG GLU A 87 0.051 -11.130 -9.612 1.00 0.00 C ATOM 475 CD GLU A 87 -0.756 -11.475 -10.859 1.00 0.00 C ATOM 476 OE1 GLU A 87 -0.397 -11.000 -11.924 1.00 0.00 O ATOM 477 OE2 GLU A 87 -1.724 -12.206 -10.731 1.00 0.00 O ATOM 0 H GLU A 87 1.683 -7.602 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.839 -8.872 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.461 -9.961 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.564 -9.697 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.717 -11.955 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.618 -10.988 -8.763 1.00 0.00 H new ATOM 484 N ALA A 88 -0.046 -7.741 -7.734 1.00 0.00 N ATOM 485 CA ALA A 88 -0.594 -7.451 -6.414 1.00 0.00 C ATOM 486 C ALA A 88 -1.897 -6.669 -6.543 1.00 0.00 C ATOM 487 O ALA A 88 -2.870 -6.949 -5.844 1.00 0.00 O ATOM 488 CB ALA A 88 0.416 -6.633 -5.602 1.00 0.00 C ATOM 0 H ALA A 88 0.903 -7.401 -7.886 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.794 -8.393 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.002 -6.419 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.340 -7.201 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.625 -5.697 -6.119 1.00 0.00 H new ATOM 494 N PHE A 89 -1.910 -5.692 -7.442 1.00 0.00 N ATOM 495 CA PHE A 89 -3.102 -4.881 -7.654 1.00 0.00 C ATOM 496 C PHE A 89 -4.274 -5.762 -8.079 1.00 0.00 C ATOM 497 O PHE A 89 -5.387 -5.617 -7.570 1.00 0.00 O ATOM 498 CB PHE A 89 -2.834 -3.832 -8.735 1.00 0.00 C ATOM 499 CG PHE A 89 -4.014 -2.895 -8.834 1.00 0.00 C ATOM 500 CD1 PHE A 89 -5.133 -3.254 -9.595 1.00 0.00 C ATOM 501 CD2 PHE A 89 -3.990 -1.668 -8.161 1.00 0.00 C ATOM 502 CE1 PHE A 89 -6.227 -2.385 -9.684 1.00 0.00 C ATOM 503 CE2 PHE A 89 -5.085 -0.798 -8.250 1.00 0.00 C ATOM 504 CZ PHE A 89 -6.203 -1.157 -9.012 1.00 0.00 C ATOM 0 H PHE A 89 -1.115 -5.444 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.353 -4.382 -6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.930 -3.271 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.662 -4.320 -9.695 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.152 -4.201 -10.113 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.127 -1.392 -7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.090 -2.662 -10.271 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.066 0.149 -7.731 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.047 -0.487 -9.082 1.00 0.00 H new ATOM 514 N ARG A 90 -4.019 -6.674 -9.012 1.00 0.00 N ATOM 515 CA ARG A 90 -5.063 -7.571 -9.493 1.00 0.00 C ATOM 516 C ARG A 90 -5.591 -8.439 -8.356 1.00 0.00 C ATOM 517 O ARG A 90 -6.801 -8.575 -8.175 1.00 0.00 O ATOM 518 CB ARG A 90 -4.510 -8.466 -10.605 1.00 0.00 C ATOM 519 CG ARG A 90 -4.278 -7.630 -11.866 1.00 0.00 C ATOM 520 CD ARG A 90 -3.684 -8.516 -12.962 1.00 0.00 C ATOM 521 NE ARG A 90 -3.496 -7.745 -14.186 1.00 0.00 N ATOM 522 CZ ARG A 90 -2.889 -8.271 -15.243 1.00 0.00 C ATOM 523 NH1 ARG A 90 -3.055 -9.534 -15.530 1.00 0.00 N ATOM 524 NH2 ARG A 90 -2.127 -7.526 -15.997 1.00 0.00 N ATOM 0 H ARG A 90 -3.106 -6.811 -9.447 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.882 -6.967 -9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.576 -8.927 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.209 -9.276 -10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.218 -7.195 -12.205 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.604 -6.802 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.730 -8.926 -12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.344 -9.362 -13.154 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.837 -6.785 -14.231 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.651 -10.117 -14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.589 -9.938 -16.342 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.998 -6.539 -15.774 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.661 -7.931 -16.809 1.00 0.00 H new ATOM 538 N VAL A 91 -4.676 -9.023 -7.589 1.00 0.00 N ATOM 539 CA VAL A 91 -5.060 -9.879 -6.473 1.00 0.00 C ATOM 540 C VAL A 91 -5.917 -9.097 -5.484 1.00 0.00 C ATOM 541 O VAL A 91 -6.926 -9.602 -4.989 1.00 0.00 O ATOM 542 CB VAL A 91 -3.811 -10.404 -5.763 1.00 0.00 C ATOM 543 CG1 VAL A 91 -4.223 -11.210 -4.530 1.00 0.00 C ATOM 544 CG2 VAL A 91 -3.022 -11.303 -6.718 1.00 0.00 C ATOM 0 H VAL A 91 -3.670 -8.920 -7.719 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.636 -10.720 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.189 -9.563 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.332 -11.583 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.785 -10.571 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.846 -12.051 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.132 -11.678 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.645 -12.143 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.726 -10.730 -7.597 1.00 0.00 H new ATOM 554 N GLU A 92 -5.514 -7.864 -5.202 1.00 0.00 N ATOM 555 CA GLU A 92 -6.257 -7.024 -4.272 1.00 0.00 C ATOM 556 C GLU A 92 -7.570 -6.572 -4.896 1.00 0.00 C ATOM 557 O GLU A 92 -8.508 -6.201 -4.190 1.00 0.00 O ATOM 558 CB GLU A 92 -5.423 -5.798 -3.892 1.00 0.00 C ATOM 559 CG GLU A 92 -4.238 -6.236 -3.032 1.00 0.00 C ATOM 560 CD GLU A 92 -3.364 -5.032 -2.696 1.00 0.00 C ATOM 561 OE1 GLU A 92 -3.698 -3.943 -3.132 1.00 0.00 O ATOM 562 OE2 GLU A 92 -2.375 -5.216 -2.007 1.00 0.00 O ATOM 0 H GLU A 92 -4.683 -7.426 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.472 -7.607 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.067 -5.294 -4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.037 -5.082 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.597 -6.703 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.651 -6.986 -3.562 1.00 0.00 H new ATOM 569 N ASP A 93 -7.637 -6.609 -6.224 1.00 0.00 N ATOM 570 CA ASP A 93 -8.849 -6.206 -6.935 1.00 0.00 C ATOM 571 C ASP A 93 -9.619 -7.438 -7.406 1.00 0.00 C ATOM 572 O ASP A 93 -9.727 -7.694 -8.605 1.00 0.00 O ATOM 573 CB ASP A 93 -8.485 -5.338 -8.139 1.00 0.00 C ATOM 574 CG ASP A 93 -9.711 -4.567 -8.617 1.00 0.00 C ATOM 575 OD1 ASP A 93 -10.480 -4.122 -7.773 1.00 0.00 O ATOM 576 OD2 ASP A 93 -9.860 -4.432 -9.818 1.00 0.00 O ATOM 0 H ASP A 93 -6.872 -6.912 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.478 -5.632 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.690 -4.642 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.101 -5.963 -8.945 1.00 0.00 H new ATOM 581 N LYS A 94 -10.153 -8.193 -6.456 1.00 0.00 N ATOM 582 CA LYS A 94 -10.915 -9.394 -6.776 1.00 0.00 C ATOM 583 C LYS A 94 -12.128 -9.053 -7.634 1.00 0.00 C ATOM 584 O LYS A 94 -12.530 -9.830 -8.499 1.00 0.00 O ATOM 585 CB LYS A 94 -11.373 -10.090 -5.495 1.00 0.00 C ATOM 586 CG LYS A 94 -10.156 -10.644 -4.751 1.00 0.00 C ATOM 587 CD LYS A 94 -10.616 -11.346 -3.472 1.00 0.00 C ATOM 588 CE LYS A 94 -9.396 -11.844 -2.695 1.00 0.00 C ATOM 589 NZ LYS A 94 -8.646 -12.827 -3.526 1.00 0.00 N ATOM 0 H LYS A 94 -10.073 -7.996 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.265 -10.065 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.912 -9.387 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.064 -10.898 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.615 -11.344 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.467 -9.836 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.197 -10.659 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.269 -12.183 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.751 -11.005 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.711 -12.307 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.014 -13.386 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.317 -13.462 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.082 -12.321 -4.238 1.00 0.00 H new ATOM 603 N ASP A 95 -12.714 -7.887 -7.381 1.00 0.00 N ATOM 604 CA ASP A 95 -13.896 -7.462 -8.123 1.00 0.00 C ATOM 605 C ASP A 95 -13.508 -6.972 -9.513 1.00 0.00 C ATOM 606 O ASP A 95 -14.367 -6.592 -10.310 1.00 0.00 O ATOM 607 CB ASP A 95 -14.606 -6.335 -7.365 1.00 0.00 C ATOM 608 CG ASP A 95 -13.623 -5.206 -7.068 1.00 0.00 C ATOM 609 OD1 ASP A 95 -12.430 -5.445 -7.163 1.00 0.00 O ATOM 610 OD2 ASP A 95 -14.075 -4.117 -6.747 1.00 0.00 O ATOM 0 H ASP A 95 -12.394 -7.225 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.567 -8.315 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -15.439 -5.956 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.024 -6.719 -6.434 1.00 0.00 H new ATOM 615 N GLY A 96 -12.211 -6.988 -9.800 1.00 0.00 N ATOM 616 CA GLY A 96 -11.722 -6.547 -11.101 1.00 0.00 C ATOM 617 C GLY A 96 -12.001 -5.062 -11.314 1.00 0.00 C ATOM 618 O GLY A 96 -12.020 -4.583 -12.445 1.00 0.00 O ATOM 0 H GLY A 96 -11.484 -7.299 -9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.651 -6.734 -11.173 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.201 -7.128 -11.890 1.00 0.00 H new ATOM 622 N ASN A 97 -12.204 -4.337 -10.221 1.00 0.00 N ATOM 623 CA ASN A 97 -12.469 -2.911 -10.292 1.00 0.00 C ATOM 624 C ASN A 97 -11.161 -2.144 -10.433 1.00 0.00 C ATOM 625 O ASN A 97 -10.315 -2.156 -9.539 1.00 0.00 O ATOM 626 CB ASN A 97 -13.207 -2.455 -9.033 1.00 0.00 C ATOM 627 CG ASN A 97 -13.305 -0.936 -9.002 1.00 0.00 C ATOM 628 OD1 ASN A 97 -13.132 -0.328 -7.945 1.00 0.00 O ATOM 629 ND2 ASN A 97 -13.568 -0.286 -10.106 1.00 0.00 N ATOM 0 H ASN A 97 -12.190 -4.717 -9.274 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.093 -2.710 -11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.205 -2.892 -9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.683 -2.811 -8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.631 0.732 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.710 -0.797 -10.977 1.00 0.00 H new ATOM 636 N GLY A 98 -11.010 -1.466 -11.557 1.00 0.00 N ATOM 637 CA GLY A 98 -9.803 -0.682 -11.818 1.00 0.00 C ATOM 638 C GLY A 98 -9.503 0.269 -10.666 1.00 0.00 C ATOM 639 O GLY A 98 -8.504 0.988 -10.689 1.00 0.00 O ATOM 0 H GLY A 98 -11.703 -1.439 -12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.957 -1.352 -11.969 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.928 -0.113 -12.739 1.00 0.00 H new ATOM 643 N TYR A 99 -10.366 0.266 -9.652 1.00 0.00 N ATOM 644 CA TYR A 99 -10.182 1.129 -8.489 1.00 0.00 C ATOM 645 C TYR A 99 -10.272 0.311 -7.208 1.00 0.00 C ATOM 646 O TYR A 99 -10.961 -0.705 -7.156 1.00 0.00 O ATOM 647 CB TYR A 99 -11.253 2.217 -8.477 1.00 0.00 C ATOM 648 CG TYR A 99 -11.137 3.052 -9.728 1.00 0.00 C ATOM 649 CD1 TYR A 99 -11.798 2.657 -10.898 1.00 0.00 C ATOM 650 CD2 TYR A 99 -10.367 4.220 -9.718 1.00 0.00 C ATOM 651 CE1 TYR A 99 -11.688 3.432 -12.058 1.00 0.00 C ATOM 652 CE2 TYR A 99 -10.257 4.995 -10.879 1.00 0.00 C ATOM 653 CZ TYR A 99 -10.918 4.602 -12.049 1.00 0.00 C ATOM 654 OH TYR A 99 -10.811 5.366 -13.192 1.00 0.00 O ATOM 0 H TYR A 99 -11.198 -0.323 -9.613 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.197 1.591 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.244 1.766 -8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.137 2.847 -7.595 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -12.392 1.755 -10.905 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.858 4.524 -8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -12.197 3.128 -12.961 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -9.662 5.896 -10.872 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.241 6.143 -13.014 1.00 0.00 H new ATOM 664 N ILE A 100 -9.559 0.755 -6.177 1.00 0.00 N ATOM 665 CA ILE A 100 -9.555 0.051 -4.894 1.00 0.00 C ATOM 666 C ILE A 100 -10.335 0.839 -3.855 1.00 0.00 C ATOM 667 O ILE A 100 -10.085 2.023 -3.640 1.00 0.00 O ATOM 668 CB ILE A 100 -8.115 -0.139 -4.413 1.00 0.00 C ATOM 669 CG1 ILE A 100 -7.278 -0.752 -5.542 1.00 0.00 C ATOM 670 CG2 ILE A 100 -8.102 -1.077 -3.206 1.00 0.00 C ATOM 671 CD1 ILE A 100 -7.948 -2.032 -6.058 1.00 0.00 C ATOM 0 H ILE A 100 -8.979 1.594 -6.202 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.027 -0.922 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.695 0.826 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.170 -0.035 -6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.275 -0.977 -5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.077 -1.213 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.700 -0.645 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.521 -2.042 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.346 -2.460 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.033 -2.752 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.942 -1.795 -6.438 1.00 0.00 H new ATOM 683 N SER A 101 -11.288 0.172 -3.212 1.00 0.00 N ATOM 684 CA SER A 101 -12.110 0.815 -2.187 1.00 0.00 C ATOM 685 C SER A 101 -11.632 0.419 -0.796 1.00 0.00 C ATOM 686 O SER A 101 -10.685 -0.353 -0.654 1.00 0.00 O ATOM 687 CB SER A 101 -13.572 0.412 -2.360 1.00 0.00 C ATOM 688 OG SER A 101 -14.082 0.999 -3.551 1.00 0.00 O ATOM 0 H SER A 101 -11.511 -0.809 -3.380 1.00 0.00 H new ATOM 0 HA SER A 101 -12.018 1.895 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.659 -0.673 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.156 0.740 -1.500 1.00 0.00 H new ATOM 0 HG SER A 101 -15.020 0.741 -3.667 1.00 0.00 H new ATOM 694 N ALA A 102 -12.292 0.953 0.226 1.00 0.00 N ATOM 695 CA ALA A 102 -11.922 0.652 1.604 1.00 0.00 C ATOM 696 C ALA A 102 -11.995 -0.848 1.870 1.00 0.00 C ATOM 697 O ALA A 102 -11.088 -1.427 2.464 1.00 0.00 O ATOM 698 CB ALA A 102 -12.855 1.389 2.567 1.00 0.00 C ATOM 0 H ALA A 102 -13.081 1.592 0.128 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.896 0.984 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.573 1.159 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.775 2.463 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.883 1.070 2.393 1.00 0.00 H new ATOM 704 N ALA A 103 -13.081 -1.471 1.425 1.00 0.00 N ATOM 705 CA ALA A 103 -13.268 -2.901 1.635 1.00 0.00 C ATOM 706 C ALA A 103 -12.033 -3.665 1.172 1.00 0.00 C ATOM 707 O ALA A 103 -11.503 -4.503 1.901 1.00 0.00 O ATOM 708 CB ALA A 103 -14.489 -3.383 0.848 1.00 0.00 C ATOM 0 H ALA A 103 -13.839 -1.012 0.920 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.424 -3.083 2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.626 -4.453 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -15.376 -2.849 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.336 -3.191 -0.214 1.00 0.00 H new ATOM 714 N GLU A 104 -11.561 -3.356 -0.027 1.00 0.00 N ATOM 715 CA GLU A 104 -10.367 -4.004 -0.561 1.00 0.00 C ATOM 716 C GLU A 104 -9.125 -3.502 0.169 1.00 0.00 C ATOM 717 O GLU A 104 -8.174 -4.253 0.387 1.00 0.00 O ATOM 718 CB GLU A 104 -10.244 -3.718 -2.059 1.00 0.00 C ATOM 719 CG GLU A 104 -11.230 -4.602 -2.830 1.00 0.00 C ATOM 720 CD GLU A 104 -11.459 -4.035 -4.226 1.00 0.00 C ATOM 721 OE1 GLU A 104 -10.515 -3.509 -4.792 1.00 0.00 O ATOM 722 OE2 GLU A 104 -12.575 -4.131 -4.706 1.00 0.00 O ATOM 0 H GLU A 104 -11.982 -2.665 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.453 -5.080 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.450 -2.666 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.225 -3.912 -2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.841 -5.618 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.176 -4.659 -2.292 1.00 0.00 H new ATOM 729 N LEU A 105 -9.135 -2.226 0.534 1.00 0.00 N ATOM 730 CA LEU A 105 -8.000 -1.639 1.227 1.00 0.00 C ATOM 731 C LEU A 105 -7.771 -2.348 2.562 1.00 0.00 C ATOM 732 O LEU A 105 -6.635 -2.541 2.995 1.00 0.00 O ATOM 733 CB LEU A 105 -8.253 -0.137 1.473 1.00 0.00 C ATOM 734 CG LEU A 105 -6.926 0.631 1.403 1.00 0.00 C ATOM 735 CD1 LEU A 105 -5.927 0.024 2.399 1.00 0.00 C ATOM 736 CD2 LEU A 105 -6.353 0.546 -0.031 1.00 0.00 C ATOM 0 H LEU A 105 -9.910 -1.585 0.363 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.112 -1.757 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.948 0.251 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.717 0.008 2.449 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.098 1.676 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.985 0.570 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.332 0.093 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.753 -1.022 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.411 1.092 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.181 -0.498 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.062 0.984 -0.733 1.00 0.00 H new ATOM 748 N ARG A 106 -8.858 -2.736 3.203 1.00 0.00 N ATOM 749 CA ARG A 106 -8.768 -3.431 4.482 1.00 0.00 C ATOM 750 C ARG A 106 -8.203 -4.835 4.289 1.00 0.00 C ATOM 751 O ARG A 106 -7.515 -5.366 5.161 1.00 0.00 O ATOM 752 CB ARG A 106 -10.146 -3.507 5.137 1.00 0.00 C ATOM 753 CG ARG A 106 -10.019 -4.146 6.522 1.00 0.00 C ATOM 754 CD ARG A 106 -11.388 -4.161 7.203 1.00 0.00 C ATOM 755 NE ARG A 106 -12.302 -5.035 6.476 1.00 0.00 N ATOM 756 CZ ARG A 106 -13.600 -5.063 6.763 1.00 0.00 C ATOM 757 NH1 ARG A 106 -14.148 -4.066 7.402 1.00 0.00 N ATOM 758 NH2 ARG A 106 -14.326 -6.086 6.404 1.00 0.00 N ATOM 0 H ARG A 106 -9.809 -2.585 2.866 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.096 -2.872 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.575 -2.509 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.824 -4.092 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.634 -5.162 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.305 -3.588 7.128 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.287 -4.504 8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.794 -3.150 7.243 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.939 -5.635 5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.581 -3.266 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -15.144 -4.087 7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.898 -6.865 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -15.322 -6.107 6.624 1.00 0.00 H new ATOM 772 N HIS A 107 -8.517 -5.439 3.147 1.00 0.00 N ATOM 773 CA HIS A 107 -8.052 -6.791 2.858 1.00 0.00 C ATOM 774 C HIS A 107 -6.530 -6.860 2.955 1.00 0.00 C ATOM 775 O HIS A 107 -5.976 -7.824 3.483 1.00 0.00 O ATOM 776 CB HIS A 107 -8.492 -7.203 1.448 1.00 0.00 C ATOM 777 CG HIS A 107 -8.395 -8.697 1.307 1.00 0.00 C ATOM 778 ND1 HIS A 107 -7.337 -9.423 1.829 1.00 0.00 N ATOM 779 CD2 HIS A 107 -9.224 -9.613 0.713 1.00 0.00 C ATOM 780 CE1 HIS A 107 -7.553 -10.719 1.541 1.00 0.00 C ATOM 781 NE2 HIS A 107 -8.691 -10.892 0.861 1.00 0.00 N ATOM 0 H HIS A 107 -9.086 -5.018 2.413 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.487 -7.472 3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -9.516 -6.876 1.265 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.864 -6.715 0.703 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -6.539 -9.044 2.339 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.149 -9.379 0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.888 -11.522 1.824 1.00 0.00 H new ATOM 789 N VAL A 108 -5.862 -5.830 2.446 1.00 0.00 N ATOM 790 CA VAL A 108 -4.404 -5.783 2.489 1.00 0.00 C ATOM 791 C VAL A 108 -3.915 -5.723 3.932 1.00 0.00 C ATOM 792 O VAL A 108 -2.970 -6.413 4.299 1.00 0.00 O ATOM 793 CB VAL A 108 -3.899 -4.558 1.722 1.00 0.00 C ATOM 794 CG1 VAL A 108 -2.379 -4.457 1.863 1.00 0.00 C ATOM 795 CG2 VAL A 108 -4.266 -4.696 0.244 1.00 0.00 C ATOM 0 H VAL A 108 -6.301 -5.023 2.003 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.013 -6.688 2.023 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.361 -3.659 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.020 -3.585 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.117 -4.358 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.915 -5.356 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.907 -3.824 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.804 -5.595 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.349 -4.767 0.143 1.00 0.00 H new ATOM 805 N MET A 109 -4.564 -4.894 4.740 1.00 0.00 N ATOM 806 CA MET A 109 -4.184 -4.755 6.144 1.00 0.00 C ATOM 807 C MET A 109 -4.368 -6.081 6.877 1.00 0.00 C ATOM 808 O MET A 109 -3.546 -6.458 7.709 1.00 0.00 O ATOM 809 CB MET A 109 -5.037 -3.675 6.810 1.00 0.00 C ATOM 810 CG MET A 109 -4.918 -2.372 6.019 1.00 0.00 C ATOM 811 SD MET A 109 -3.199 -1.803 6.034 1.00 0.00 S ATOM 812 CE MET A 109 -3.543 -0.029 5.975 1.00 0.00 C ATOM 0 H MET A 109 -5.350 -4.311 4.452 1.00 0.00 H new ATOM 0 HA MET A 109 -3.134 -4.467 6.194 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.079 -3.994 6.852 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.709 -3.520 7.838 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.251 -2.527 4.993 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.567 -1.611 6.453 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.619 0.515 5.780 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.260 0.176 5.180 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.958 0.293 6.930 1.00 0.00 H new ATOM 822 N THR A 110 -5.447 -6.782 6.557 1.00 0.00 N ATOM 823 CA THR A 110 -5.725 -8.069 7.184 1.00 0.00 C ATOM 824 C THR A 110 -4.603 -9.060 6.882 1.00 0.00 C ATOM 825 O THR A 110 -4.212 -9.852 7.739 1.00 0.00 O ATOM 826 CB THR A 110 -7.056 -8.626 6.677 1.00 0.00 C ATOM 827 OG1 THR A 110 -8.049 -7.612 6.749 1.00 0.00 O ATOM 828 CG2 THR A 110 -7.476 -9.818 7.539 1.00 0.00 C ATOM 0 H THR A 110 -6.141 -6.485 5.871 1.00 0.00 H new ATOM 0 HA THR A 110 -5.787 -7.922 8.262 1.00 0.00 H new ATOM 0 HB THR A 110 -6.943 -8.952 5.643 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.879 -6.938 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.425 -10.213 7.176 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.714 -10.595 7.482 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.589 -9.496 8.574 1.00 0.00 H new ATOM 836 N ASN A 111 -4.096 -9.013 5.656 1.00 0.00 N ATOM 837 CA ASN A 111 -3.022 -9.914 5.248 1.00 0.00 C ATOM 838 C ASN A 111 -1.792 -9.708 6.125 1.00 0.00 C ATOM 839 O ASN A 111 -0.963 -10.606 6.265 1.00 0.00 O ATOM 840 CB ASN A 111 -2.660 -9.660 3.778 1.00 0.00 C ATOM 841 CG ASN A 111 -3.685 -10.323 2.863 1.00 0.00 C ATOM 842 OD1 ASN A 111 -4.717 -10.928 3.385 1.00 0.00 O flip ATOM 843 ND2 ASN A 111 -3.544 -10.282 1.641 1.00 0.00 N flip ATOM 0 H ASN A 111 -4.407 -8.366 4.931 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.366 -10.942 5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.627 -8.588 3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.665 -10.053 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.736 -9.808 1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.235 -10.722 1.033 1.00 0.00 H new ATOM 850 N LEU A 112 -1.679 -8.521 6.710 1.00 0.00 N ATOM 851 CA LEU A 112 -0.544 -8.210 7.570 1.00 0.00 C ATOM 852 C LEU A 112 -0.648 -8.971 8.884 1.00 0.00 C ATOM 853 O LEU A 112 0.343 -9.142 9.591 1.00 0.00 O ATOM 854 CB LEU A 112 -0.500 -6.706 7.852 1.00 0.00 C ATOM 855 CG LEU A 112 -0.533 -5.937 6.530 1.00 0.00 C ATOM 856 CD1 LEU A 112 -0.452 -4.435 6.811 1.00 0.00 C ATOM 857 CD2 LEU A 112 0.652 -6.363 5.652 1.00 0.00 C ATOM 0 H LEU A 112 -2.354 -7.763 6.606 1.00 0.00 H new ATOM 0 HA LEU A 112 0.370 -8.511 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.347 -6.417 8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.404 -6.456 8.408 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.463 -6.158 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.475 -3.887 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.299 -4.134 7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.476 -4.213 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.624 -5.813 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.586 -6.147 6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.589 -7.432 5.449 1.00 0.00 H new ATOM 869 N GLY A 113 -1.855 -9.428 9.206 1.00 0.00 N ATOM 870 CA GLY A 113 -2.079 -10.174 10.443 1.00 0.00 C ATOM 871 C GLY A 113 -2.654 -9.272 11.522 1.00 0.00 C ATOM 872 O GLY A 113 -3.032 -9.741 12.595 1.00 0.00 O ATOM 0 H GLY A 113 -2.688 -9.297 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.761 -11.003 10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.139 -10.606 10.787 1.00 0.00 H new ATOM 876 N GLU A 114 -2.723 -7.973 11.235 1.00 0.00 N ATOM 877 CA GLU A 114 -3.262 -7.006 12.192 1.00 0.00 C ATOM 878 C GLU A 114 -4.460 -6.278 11.596 1.00 0.00 C ATOM 879 O GLU A 114 -4.323 -5.519 10.636 1.00 0.00 O ATOM 880 CB GLU A 114 -2.181 -5.993 12.574 1.00 0.00 C ATOM 881 CG GLU A 114 -2.730 -5.039 13.635 1.00 0.00 C ATOM 882 CD GLU A 114 -1.642 -4.070 14.079 1.00 0.00 C ATOM 883 OE1 GLU A 114 -0.623 -4.008 13.410 1.00 0.00 O ATOM 884 OE2 GLU A 114 -1.842 -3.404 15.081 1.00 0.00 O ATOM 0 H GLU A 114 -2.414 -7.566 10.352 1.00 0.00 H new ATOM 0 HA GLU A 114 -3.585 -7.543 13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.301 -6.511 12.955 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.865 -5.433 11.694 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -3.579 -4.486 13.234 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.095 -5.606 14.491 1.00 0.00 H new ATOM 891 N LYS A 115 -5.635 -6.514 12.171 1.00 0.00 N ATOM 892 CA LYS A 115 -6.853 -5.873 11.690 1.00 0.00 C ATOM 893 C LYS A 115 -6.935 -4.440 12.196 1.00 0.00 C ATOM 894 O LYS A 115 -6.620 -4.163 13.353 1.00 0.00 O ATOM 895 CB LYS A 115 -8.078 -6.654 12.167 1.00 0.00 C ATOM 896 CG LYS A 115 -8.115 -8.016 11.474 1.00 0.00 C ATOM 897 CD LYS A 115 -9.316 -8.816 11.983 1.00 0.00 C ATOM 898 CE LYS A 115 -9.324 -10.198 11.328 1.00 0.00 C ATOM 899 NZ LYS A 115 -9.573 -10.052 9.866 1.00 0.00 N ATOM 0 H LYS A 115 -5.769 -7.140 12.965 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.831 -5.863 10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -8.041 -6.785 13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -8.988 -6.096 11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.184 -7.885 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.192 -8.561 11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -9.266 -8.916 13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -10.242 -8.288 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.371 -10.698 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.096 -10.822 11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.935 -10.683 9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.560 -10.304 9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.399 -9.067 9.581 1.00 0.00 H new ATOM 913 N LEU A 116 -7.360 -3.529 11.324 1.00 0.00 N ATOM 914 CA LEU A 116 -7.481 -2.116 11.690 1.00 0.00 C ATOM 915 C LEU A 116 -8.948 -1.703 11.731 1.00 0.00 C ATOM 916 O LEU A 116 -9.810 -2.382 11.175 1.00 0.00 O ATOM 917 CB LEU A 116 -6.734 -1.251 10.675 1.00 0.00 C ATOM 918 CG LEU A 116 -5.299 -1.766 10.521 1.00 0.00 C ATOM 919 CD1 LEU A 116 -4.561 -0.914 9.484 1.00 0.00 C ATOM 920 CD2 LEU A 116 -4.571 -1.682 11.870 1.00 0.00 C ATOM 0 H LEU A 116 -7.626 -3.740 10.362 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.045 -1.973 12.679 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.246 -1.277 9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.725 -0.212 11.004 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.320 -2.804 10.190 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.540 -1.279 9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.076 -0.980 8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.541 0.125 9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.551 -2.049 11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.548 -0.646 12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.096 -2.291 12.605 1.00 0.00 H new ATOM 932 N THR A 117 -9.220 -0.585 12.397 1.00 0.00 N ATOM 933 CA THR A 117 -10.588 -0.091 12.509 1.00 0.00 C ATOM 934 C THR A 117 -10.999 0.627 11.229 1.00 0.00 C ATOM 935 O THR A 117 -10.164 0.930 10.378 1.00 0.00 O ATOM 936 CB THR A 117 -10.700 0.873 13.692 1.00 0.00 C ATOM 937 OG1 THR A 117 -10.247 2.159 13.296 1.00 0.00 O ATOM 938 CG2 THR A 117 -9.838 0.363 14.850 1.00 0.00 C ATOM 0 H THR A 117 -8.519 -0.009 12.863 1.00 0.00 H new ATOM 0 HA THR A 117 -11.251 -0.941 12.669 1.00 0.00 H new ATOM 0 HB THR A 117 -11.740 0.935 14.014 1.00 0.00 H new ATOM 0 HG1 THR A 117 -10.319 2.778 14.052 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.918 1.050 15.693 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.184 -0.625 15.153 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.798 0.301 14.530 1.00 0.00 H new ATOM 946 N ASP A 118 -12.296 0.888 11.096 1.00 0.00 N ATOM 947 CA ASP A 118 -12.811 1.563 9.911 1.00 0.00 C ATOM 948 C ASP A 118 -12.234 2.971 9.798 1.00 0.00 C ATOM 949 O ASP A 118 -11.881 3.421 8.708 1.00 0.00 O ATOM 950 CB ASP A 118 -14.337 1.638 9.974 1.00 0.00 C ATOM 951 CG ASP A 118 -14.939 0.255 9.752 1.00 0.00 C ATOM 952 OD1 ASP A 118 -14.214 -0.623 9.316 1.00 0.00 O ATOM 953 OD2 ASP A 118 -16.119 0.093 10.022 1.00 0.00 O ATOM 0 H ASP A 118 -13.004 0.644 11.789 1.00 0.00 H new ATOM 0 HA ASP A 118 -12.511 0.990 9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -14.650 2.028 10.942 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -14.706 2.330 9.217 1.00 0.00 H new ATOM 958 N GLU A 119 -12.144 3.663 10.929 1.00 0.00 N ATOM 959 CA GLU A 119 -11.616 5.018 10.946 1.00 0.00 C ATOM 960 C GLU A 119 -10.145 5.025 10.546 1.00 0.00 C ATOM 961 O GLU A 119 -9.687 5.935 9.856 1.00 0.00 O ATOM 962 CB GLU A 119 -11.771 5.618 12.344 1.00 0.00 C ATOM 963 CG GLU A 119 -13.249 5.904 12.624 1.00 0.00 C ATOM 964 CD GLU A 119 -13.998 4.594 12.844 1.00 0.00 C ATOM 965 OE1 GLU A 119 -13.347 3.600 13.120 1.00 0.00 O ATOM 966 OE2 GLU A 119 -15.212 4.605 12.734 1.00 0.00 O ATOM 0 H GLU A 119 -12.429 3.308 11.841 1.00 0.00 H new ATOM 0 HA GLU A 119 -12.177 5.617 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.376 4.929 13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.192 6.538 12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.345 6.540 13.504 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.688 6.448 11.788 1.00 0.00 H new ATOM 973 N GLU A 120 -9.413 4.007 10.981 1.00 0.00 N ATOM 974 CA GLU A 120 -7.994 3.909 10.659 1.00 0.00 C ATOM 975 C GLU A 120 -7.792 3.748 9.157 1.00 0.00 C ATOM 976 O GLU A 120 -6.886 4.344 8.577 1.00 0.00 O ATOM 977 CB GLU A 120 -7.375 2.717 11.390 1.00 0.00 C ATOM 978 CG GLU A 120 -7.288 3.022 12.887 1.00 0.00 C ATOM 979 CD GLU A 120 -6.245 4.104 13.140 1.00 0.00 C ATOM 980 OE1 GLU A 120 -5.527 4.436 12.213 1.00 0.00 O ATOM 981 OE2 GLU A 120 -6.182 4.587 14.259 1.00 0.00 O ATOM 0 H GLU A 120 -9.774 3.243 11.553 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.504 4.828 10.981 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.977 1.824 11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.381 2.510 10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.260 3.349 13.257 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -7.026 2.118 13.436 1.00 0.00 H new ATOM 988 N VAL A 121 -8.642 2.944 8.532 1.00 0.00 N ATOM 989 CA VAL A 121 -8.545 2.715 7.096 1.00 0.00 C ATOM 990 C VAL A 121 -8.801 4.009 6.330 1.00 0.00 C ATOM 991 O VAL A 121 -8.081 4.336 5.389 1.00 0.00 O ATOM 992 CB VAL A 121 -9.562 1.656 6.667 1.00 0.00 C ATOM 993 CG1 VAL A 121 -9.544 1.514 5.143 1.00 0.00 C ATOM 994 CG2 VAL A 121 -9.199 0.314 7.306 1.00 0.00 C ATOM 0 H VAL A 121 -9.401 2.442 8.993 1.00 0.00 H new ATOM 0 HA VAL A 121 -7.538 2.364 6.869 1.00 0.00 H new ATOM 0 HB VAL A 121 -10.558 1.958 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.269 0.759 4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -9.801 2.469 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -8.548 1.212 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.923 -0.442 7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -8.203 0.014 6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.212 0.412 8.391 1.00 0.00 H new ATOM 1004 N ASP A 122 -9.834 4.738 6.736 1.00 0.00 N ATOM 1005 CA ASP A 122 -10.180 5.990 6.071 1.00 0.00 C ATOM 1006 C ASP A 122 -9.022 6.978 6.149 1.00 0.00 C ATOM 1007 O ASP A 122 -8.654 7.597 5.152 1.00 0.00 O ATOM 1008 CB ASP A 122 -11.417 6.603 6.728 1.00 0.00 C ATOM 1009 CG ASP A 122 -11.916 7.783 5.901 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -11.225 8.165 4.971 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -12.984 8.287 6.208 1.00 0.00 O ATOM 0 H ASP A 122 -10.442 4.487 7.515 1.00 0.00 H new ATOM 0 HA ASP A 122 -10.390 5.776 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -12.202 5.852 6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -11.177 6.933 7.739 1.00 0.00 H new ATOM 1016 N GLU A 123 -8.453 7.120 7.340 1.00 0.00 N ATOM 1017 CA GLU A 123 -7.339 8.042 7.536 1.00 0.00 C ATOM 1018 C GLU A 123 -6.177 7.687 6.617 1.00 0.00 C ATOM 1019 O GLU A 123 -5.580 8.561 5.992 1.00 0.00 O ATOM 1020 CB GLU A 123 -6.870 7.994 8.993 1.00 0.00 C ATOM 1021 CG GLU A 123 -7.934 8.622 9.894 1.00 0.00 C ATOM 1022 CD GLU A 123 -7.534 8.468 11.358 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -6.460 7.945 11.606 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -8.308 8.874 12.209 1.00 0.00 O ATOM 0 H GLU A 123 -8.740 6.614 8.178 1.00 0.00 H new ATOM 0 HA GLU A 123 -7.682 9.048 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.687 6.962 9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -5.926 8.529 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -8.052 9.678 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -8.898 8.144 9.720 1.00 0.00 H new ATOM 1031 N MET A 124 -5.859 6.400 6.536 1.00 0.00 N ATOM 1032 CA MET A 124 -4.761 5.950 5.688 1.00 0.00 C ATOM 1033 C MET A 124 -5.028 6.305 4.230 1.00 0.00 C ATOM 1034 O MET A 124 -4.135 6.781 3.528 1.00 0.00 O ATOM 1035 CB MET A 124 -4.589 4.430 5.829 1.00 0.00 C ATOM 1036 CG MET A 124 -3.749 4.116 7.069 1.00 0.00 C ATOM 1037 SD MET A 124 -4.320 5.120 8.463 1.00 0.00 S ATOM 1038 CE MET A 124 -3.423 4.240 9.760 1.00 0.00 C ATOM 0 H MET A 124 -6.340 5.656 7.042 1.00 0.00 H new ATOM 0 HA MET A 124 -3.847 6.452 6.005 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.565 3.950 5.908 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.106 4.025 4.939 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.828 3.057 7.315 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.697 4.319 6.869 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.489 4.801 10.692 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.861 3.252 9.899 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.377 4.136 9.472 1.00 0.00 H new ATOM 1048 N ILE A 125 -6.256 6.070 3.779 1.00 0.00 N ATOM 1049 CA ILE A 125 -6.617 6.368 2.403 1.00 0.00 C ATOM 1050 C ILE A 125 -6.522 7.868 2.142 1.00 0.00 C ATOM 1051 O ILE A 125 -5.990 8.293 1.121 1.00 0.00 O ATOM 1052 CB ILE A 125 -8.046 5.893 2.130 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -8.094 4.367 2.211 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -8.474 6.338 0.729 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -9.551 3.900 2.197 1.00 0.00 C ATOM 0 H ILE A 125 -7.010 5.678 4.343 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.925 5.849 1.740 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.720 6.323 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.553 3.931 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.600 4.025 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.492 6.000 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -8.435 7.425 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.801 5.906 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -9.585 2.812 2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -10.078 4.325 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -10.030 4.229 1.275 1.00 0.00 H new ATOM 1067 N ARG A 126 -7.039 8.662 3.074 1.00 0.00 N ATOM 1068 CA ARG A 126 -7.012 10.114 2.928 1.00 0.00 C ATOM 1069 C ARG A 126 -5.578 10.622 2.849 1.00 0.00 C ATOM 1070 O ARG A 126 -5.268 11.515 2.060 1.00 0.00 O ATOM 1071 CB ARG A 126 -7.723 10.772 4.113 1.00 0.00 C ATOM 1072 CG ARG A 126 -9.230 10.529 4.007 1.00 0.00 C ATOM 1073 CD ARG A 126 -9.930 11.137 5.224 1.00 0.00 C ATOM 1074 NE ARG A 126 -11.373 10.925 5.134 1.00 0.00 N ATOM 1075 CZ ARG A 126 -12.168 11.825 4.564 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -11.975 12.174 3.322 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -13.138 12.364 5.250 1.00 0.00 N ATOM 0 H ARG A 126 -7.479 8.329 3.932 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.527 10.374 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -7.344 10.364 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -7.517 11.842 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -9.618 10.974 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -9.434 9.460 3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -9.545 10.685 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -9.715 12.204 5.281 1.00 0.00 H new ATOM 0 HE ARG A 126 -11.778 10.070 5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -11.213 11.756 2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -12.586 12.865 2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -13.286 12.095 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -13.749 13.055 4.814 1.00 0.00 H new ATOM 1091 N GLU A 127 -4.706 10.043 3.665 1.00 0.00 N ATOM 1092 CA GLU A 127 -3.303 10.439 3.673 1.00 0.00 C ATOM 1093 C GLU A 127 -2.628 10.059 2.362 1.00 0.00 C ATOM 1094 O GLU A 127 -1.743 10.768 1.882 1.00 0.00 O ATOM 1095 CB GLU A 127 -2.577 9.766 4.839 1.00 0.00 C ATOM 1096 CG GLU A 127 -3.042 10.385 6.158 1.00 0.00 C ATOM 1097 CD GLU A 127 -2.463 9.606 7.333 1.00 0.00 C ATOM 1098 OE1 GLU A 127 -1.773 8.630 7.089 1.00 0.00 O ATOM 1099 OE2 GLU A 127 -2.720 9.995 8.460 1.00 0.00 O ATOM 0 H GLU A 127 -4.943 9.303 4.326 1.00 0.00 H new ATOM 0 HA GLU A 127 -3.253 11.522 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.779 8.695 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.499 9.887 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.727 11.427 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.131 10.379 6.208 1.00 0.00 H new ATOM 1106 N ALA A 128 -3.044 8.935 1.788 1.00 0.00 N ATOM 1107 CA ALA A 128 -2.468 8.467 0.531 1.00 0.00 C ATOM 1108 C ALA A 128 -3.207 9.073 -0.658 1.00 0.00 C ATOM 1109 O ALA A 128 -2.685 9.105 -1.771 1.00 0.00 O ATOM 1110 CB ALA A 128 -2.549 6.942 0.459 1.00 0.00 C ATOM 0 H ALA A 128 -3.774 8.334 2.170 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.425 8.780 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.118 6.599 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.995 6.509 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.592 6.630 0.515 1.00 0.00 H new ATOM 1116 N ASP A 129 -4.423 9.552 -0.413 1.00 0.00 N ATOM 1117 CA ASP A 129 -5.224 10.148 -1.477 1.00 0.00 C ATOM 1118 C ASP A 129 -4.730 11.555 -1.794 1.00 0.00 C ATOM 1119 O ASP A 129 -5.023 12.506 -1.068 1.00 0.00 O ATOM 1120 CB ASP A 129 -6.692 10.210 -1.052 1.00 0.00 C ATOM 1121 CG ASP A 129 -7.559 10.624 -2.230 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -7.005 10.916 -3.277 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -8.765 10.647 -2.066 1.00 0.00 O ATOM 0 H ASP A 129 -4.872 9.540 0.503 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.127 9.529 -2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.012 9.237 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.812 10.921 -0.234 1.00 0.00 H new ATOM 1128 N ILE A 130 -3.970 11.678 -2.878 1.00 0.00 N ATOM 1129 CA ILE A 130 -3.430 12.971 -3.279 1.00 0.00 C ATOM 1130 C ILE A 130 -4.548 13.910 -3.712 1.00 0.00 C ATOM 1131 O ILE A 130 -4.552 15.089 -3.361 1.00 0.00 O ATOM 1132 CB ILE A 130 -2.444 12.789 -4.431 1.00 0.00 C ATOM 1133 CG1 ILE A 130 -1.418 11.716 -4.052 1.00 0.00 C ATOM 1134 CG2 ILE A 130 -1.715 14.111 -4.696 1.00 0.00 C ATOM 1135 CD1 ILE A 130 -0.773 12.046 -2.702 1.00 0.00 C ATOM 0 H ILE A 130 -3.716 10.903 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.915 13.408 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.984 12.485 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.904 10.741 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.650 11.650 -4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.012 13.980 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.441 14.881 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.173 14.414 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -0.047 11.274 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.270 13.011 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -1.543 12.088 -1.932 1.00 0.00 H new ATOM 1147 N ASP A 131 -5.489 13.380 -4.487 1.00 0.00 N ATOM 1148 CA ASP A 131 -6.604 14.182 -4.980 1.00 0.00 C ATOM 1149 C ASP A 131 -7.757 14.171 -3.986 1.00 0.00 C ATOM 1150 O ASP A 131 -8.845 14.664 -4.280 1.00 0.00 O ATOM 1151 CB ASP A 131 -7.083 13.638 -6.327 1.00 0.00 C ATOM 1152 CG ASP A 131 -7.324 12.136 -6.228 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -6.572 11.481 -5.527 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -8.257 11.662 -6.856 1.00 0.00 O ATOM 0 H ASP A 131 -5.503 12.405 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 131 -6.259 15.209 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -8.002 14.143 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.340 13.845 -7.097 1.00 0.00 H new ATOM 1159 N GLY A 132 -7.510 13.613 -2.802 1.00 0.00 N ATOM 1160 CA GLY A 132 -8.535 13.563 -1.763 1.00 0.00 C ATOM 1161 C GLY A 132 -9.893 13.224 -2.365 1.00 0.00 C ATOM 1162 O GLY A 132 -10.918 13.764 -1.945 1.00 0.00 O ATOM 0 H GLY A 132 -6.618 13.193 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.266 12.817 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -8.588 14.523 -1.250 1.00 0.00 H new ATOM 1166 N ASP A 133 -9.897 12.344 -3.361 1.00 0.00 N ATOM 1167 CA ASP A 133 -11.138 11.961 -4.023 1.00 0.00 C ATOM 1168 C ASP A 133 -11.876 10.904 -3.209 1.00 0.00 C ATOM 1169 O ASP A 133 -12.974 10.484 -3.570 1.00 0.00 O ATOM 1170 CB ASP A 133 -10.836 11.414 -5.420 1.00 0.00 C ATOM 1171 CG ASP A 133 -9.856 10.250 -5.325 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -9.374 9.996 -4.236 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -9.599 9.632 -6.345 1.00 0.00 O ATOM 0 H ASP A 133 -9.062 11.886 -3.725 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.771 12.844 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -11.759 11.085 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -10.417 12.202 -6.045 1.00 0.00 H new ATOM 1178 N GLY A 134 -11.265 10.479 -2.109 1.00 0.00 N ATOM 1179 CA GLY A 134 -11.874 9.471 -1.250 1.00 0.00 C ATOM 1180 C GLY A 134 -11.706 8.079 -1.841 1.00 0.00 C ATOM 1181 O GLY A 134 -12.120 7.088 -1.242 1.00 0.00 O ATOM 0 H GLY A 134 -10.355 10.814 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -11.418 9.508 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -12.934 9.690 -1.121 1.00 0.00 H new ATOM 1185 N GLN A 135 -11.097 8.008 -3.021 1.00 0.00 N ATOM 1186 CA GLN A 135 -10.877 6.724 -3.690 1.00 0.00 C ATOM 1187 C GLN A 135 -9.448 6.632 -4.205 1.00 0.00 C ATOM 1188 O GLN A 135 -8.835 7.640 -4.553 1.00 0.00 O ATOM 1189 CB GLN A 135 -11.857 6.573 -4.855 1.00 0.00 C ATOM 1190 CG GLN A 135 -11.610 5.235 -5.554 1.00 0.00 C ATOM 1191 CD GLN A 135 -12.718 4.963 -6.566 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -13.889 4.877 -6.198 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -12.417 4.835 -7.829 1.00 0.00 N ATOM 0 H GLN A 135 -10.748 8.818 -3.534 1.00 0.00 H new ATOM 0 HA GLN A 135 -11.043 5.922 -2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -12.883 6.622 -4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -11.730 7.394 -5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -10.643 5.251 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -11.573 4.432 -4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -11.446 4.907 -8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -13.153 4.663 -8.514 1.00 0.00 H new ATOM 1202 N VAL A 136 -8.919 5.411 -4.248 1.00 0.00 N ATOM 1203 CA VAL A 136 -7.553 5.198 -4.717 1.00 0.00 C ATOM 1204 C VAL A 136 -7.550 4.868 -6.205 1.00 0.00 C ATOM 1205 O VAL A 136 -8.230 3.944 -6.649 1.00 0.00 O ATOM 1206 CB VAL A 136 -6.911 4.047 -3.939 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -5.518 3.765 -4.503 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -6.795 4.435 -2.463 1.00 0.00 C ATOM 0 H VAL A 136 -9.410 4.562 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 136 -6.982 6.112 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.528 3.154 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.060 2.945 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.600 3.491 -5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.899 4.657 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.338 3.617 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.177 5.328 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -7.788 4.637 -2.061 1.00 0.00 H new ATOM 1218 N ASN A 137 -6.774 5.630 -6.971 1.00 0.00 N ATOM 1219 CA ASN A 137 -6.680 5.416 -8.414 1.00 0.00 C ATOM 1220 C ASN A 137 -5.442 4.594 -8.753 1.00 0.00 C ATOM 1221 O ASN A 137 -4.520 4.480 -7.944 1.00 0.00 O ATOM 1222 CB ASN A 137 -6.619 6.758 -9.139 1.00 0.00 C ATOM 1223 CG ASN A 137 -7.949 7.491 -8.992 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -8.992 6.860 -8.822 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -7.973 8.794 -9.045 1.00 0.00 N ATOM 0 H ASN A 137 -6.203 6.398 -6.619 1.00 0.00 H new ATOM 0 HA ASN A 137 -7.565 4.870 -8.740 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.812 7.366 -8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.396 6.601 -10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.857 9.292 -8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.107 9.315 -9.186 1.00 0.00 H new ATOM 1232 N TYR A 138 -5.427 4.022 -9.952 1.00 0.00 N ATOM 1233 CA TYR A 138 -4.294 3.212 -10.386 1.00 0.00 C ATOM 1234 C TYR A 138 -3.020 4.052 -10.422 1.00 0.00 C ATOM 1235 O TYR A 138 -1.987 3.655 -9.885 1.00 0.00 O ATOM 1236 CB TYR A 138 -4.569 2.640 -11.777 1.00 0.00 C ATOM 1237 CG TYR A 138 -3.356 1.877 -12.257 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -3.083 0.602 -11.742 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -2.504 2.441 -13.214 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -1.959 -0.105 -12.184 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -1.381 1.733 -13.656 1.00 0.00 C ATOM 1242 CZ TYR A 138 -1.108 0.461 -13.141 1.00 0.00 C ATOM 1243 OH TYR A 138 0.000 -0.237 -13.577 1.00 0.00 O ATOM 0 H TYR A 138 -6.180 4.103 -10.636 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.158 2.396 -9.676 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.437 1.982 -11.746 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.804 3.445 -12.473 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -3.740 0.165 -11.004 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -2.714 3.423 -13.611 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -1.748 -1.087 -11.787 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -0.725 2.168 -14.395 1.00 0.00 H new ATOM 0 HH TYR A 138 0.483 0.297 -14.242 1.00 0.00 H new ATOM 1253 N GLU A 139 -3.104 5.215 -11.056 1.00 0.00 N ATOM 1254 CA GLU A 139 -1.951 6.104 -11.157 1.00 0.00 C ATOM 1255 C GLU A 139 -1.439 6.469 -9.768 1.00 0.00 C ATOM 1256 O GLU A 139 -0.232 6.563 -9.546 1.00 0.00 O ATOM 1257 CB GLU A 139 -2.338 7.378 -11.911 1.00 0.00 C ATOM 1258 CG GLU A 139 -2.699 7.032 -13.357 1.00 0.00 C ATOM 1259 CD GLU A 139 -1.470 6.504 -14.091 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -0.442 7.158 -14.029 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -1.573 5.451 -14.697 1.00 0.00 O ATOM 0 H GLU A 139 -3.951 5.564 -11.505 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.161 5.587 -11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -3.184 7.860 -11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.512 8.088 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.492 6.284 -13.373 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.084 7.916 -13.865 1.00 0.00 H new ATOM 1268 N GLU A 140 -2.363 6.671 -8.835 1.00 0.00 N ATOM 1269 CA GLU A 140 -1.992 7.021 -7.470 1.00 0.00 C ATOM 1270 C GLU A 140 -1.345 5.830 -6.769 1.00 0.00 C ATOM 1271 O GLU A 140 -0.368 5.986 -6.036 1.00 0.00 O ATOM 1272 CB GLU A 140 -3.233 7.461 -6.688 1.00 0.00 C ATOM 1273 CG GLU A 140 -3.668 8.849 -7.161 1.00 0.00 C ATOM 1274 CD GLU A 140 -4.999 9.225 -6.519 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -5.083 9.175 -5.303 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -5.916 9.555 -7.254 1.00 0.00 O ATOM 0 H GLU A 140 -3.367 6.599 -8.998 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.275 7.841 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.042 6.745 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.015 7.481 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.908 9.586 -6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.763 8.859 -8.247 1.00 0.00 H new ATOM 1283 N PHE A 141 -1.895 4.642 -6.998 1.00 0.00 N ATOM 1284 CA PHE A 141 -1.360 3.435 -6.378 1.00 0.00 C ATOM 1285 C PHE A 141 0.089 3.217 -6.801 1.00 0.00 C ATOM 1286 O PHE A 141 0.958 2.979 -5.964 1.00 0.00 O ATOM 1287 CB PHE A 141 -2.202 2.225 -6.791 1.00 0.00 C ATOM 1288 CG PHE A 141 -1.610 0.971 -6.192 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -1.691 0.750 -4.812 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -0.978 0.029 -7.015 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -1.143 -0.412 -4.255 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -0.430 -1.131 -6.458 1.00 0.00 C ATOM 1293 CZ PHE A 141 -0.512 -1.352 -5.078 1.00 0.00 C ATOM 0 H PHE A 141 -2.703 4.489 -7.602 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.397 3.553 -5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.230 2.352 -6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -2.232 2.143 -7.878 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.176 1.476 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.914 0.199 -8.080 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.207 -0.583 -3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 141 0.057 -1.857 -7.093 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.088 -2.248 -4.648 1.00 0.00 H new ATOM 1303 N VAL A 142 0.343 3.300 -8.103 1.00 0.00 N ATOM 1304 CA VAL A 142 1.692 3.097 -8.616 1.00 0.00 C ATOM 1305 C VAL A 142 2.649 4.098 -7.975 1.00 0.00 C ATOM 1306 O VAL A 142 3.722 3.723 -7.509 1.00 0.00 O ATOM 1307 CB VAL A 142 1.700 3.287 -10.136 1.00 0.00 C ATOM 1308 CG1 VAL A 142 3.143 3.269 -10.651 1.00 0.00 C ATOM 1309 CG2 VAL A 142 0.910 2.155 -10.797 1.00 0.00 C ATOM 0 H VAL A 142 -0.359 3.504 -8.814 1.00 0.00 H new ATOM 0 HA VAL A 142 2.015 2.085 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 142 1.240 4.244 -10.381 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.145 3.404 -11.733 1.00 0.00 H new ATOM 0 HG12 VAL A 142 3.706 4.076 -10.183 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.606 2.313 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.916 2.291 -11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.369 1.198 -10.549 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -0.118 2.169 -10.435 1.00 0.00 H new ATOM 1319 N GLN A 143 2.247 5.364 -7.939 1.00 0.00 N ATOM 1320 CA GLN A 143 3.079 6.402 -7.335 1.00 0.00 C ATOM 1321 C GLN A 143 3.438 6.017 -5.901 1.00 0.00 C ATOM 1322 O GLN A 143 4.596 6.102 -5.497 1.00 0.00 O ATOM 1323 CB GLN A 143 2.329 7.734 -7.342 1.00 0.00 C ATOM 1324 CG GLN A 143 3.216 8.821 -6.732 1.00 0.00 C ATOM 1325 CD GLN A 143 2.555 10.184 -6.897 1.00 0.00 C ATOM 1326 OE1 GLN A 143 1.689 10.356 -7.754 1.00 0.00 O ATOM 1327 NE2 GLN A 143 2.912 11.168 -6.118 1.00 0.00 N ATOM 0 H GLN A 143 1.359 5.695 -8.317 1.00 0.00 H new ATOM 0 HA GLN A 143 3.997 6.503 -7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 143 2.054 8.004 -8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.402 7.645 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 143 3.384 8.614 -5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 143 4.192 8.820 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.630 11.022 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 143 2.473 12.083 -6.218 1.00 0.00 H new ATOM 1336 N MET A 144 2.437 5.590 -5.141 1.00 0.00 N ATOM 1337 CA MET A 144 2.654 5.181 -3.758 1.00 0.00 C ATOM 1338 C MET A 144 3.624 4.005 -3.700 1.00 0.00 C ATOM 1339 O MET A 144 4.359 3.838 -2.728 1.00 0.00 O ATOM 1340 CB MET A 144 1.326 4.779 -3.117 1.00 0.00 C ATOM 1341 CG MET A 144 0.432 6.014 -2.972 1.00 0.00 C ATOM 1342 SD MET A 144 1.073 7.071 -1.650 1.00 0.00 S ATOM 1343 CE MET A 144 0.714 5.955 -0.266 1.00 0.00 C ATOM 0 H MET A 144 1.470 5.518 -5.457 1.00 0.00 H new ATOM 0 HA MET A 144 3.080 6.022 -3.210 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.828 4.027 -3.729 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.503 4.329 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.401 6.566 -3.911 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.591 5.711 -2.747 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.264 6.520 0.550 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.022 5.179 -0.594 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.639 5.494 0.079 1.00 0.00 H new ATOM 1353 N MET A 145 3.612 3.187 -4.747 1.00 0.00 N ATOM 1354 CA MET A 145 4.489 2.021 -4.813 1.00 0.00 C ATOM 1355 C MET A 145 5.826 2.380 -5.447 1.00 0.00 C ATOM 1356 O MET A 145 6.844 1.751 -5.165 1.00 0.00 O ATOM 1357 CB MET A 145 3.816 0.910 -5.618 1.00 0.00 C ATOM 1358 CG MET A 145 2.564 0.429 -4.878 1.00 0.00 C ATOM 1359 SD MET A 145 3.035 -0.351 -3.311 1.00 0.00 S ATOM 1360 CE MET A 145 3.743 -1.863 -4.007 1.00 0.00 C ATOM 0 H MET A 145 3.007 3.308 -5.559 1.00 0.00 H new ATOM 0 HA MET A 145 4.673 1.673 -3.796 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.547 1.276 -6.609 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.508 0.080 -5.761 1.00 0.00 H new ATOM 0 HG2 MET A 145 1.897 1.270 -4.689 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.015 -0.281 -5.497 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.677 -2.667 -3.274 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.191 -2.144 -4.904 1.00 0.00 H new ATOM 0 HE3 MET A 145 4.788 -1.691 -4.263 1.00 0.00 H new ATOM 1370 N THR A 146 5.818 3.389 -6.311 1.00 0.00 N ATOM 1371 CA THR A 146 7.035 3.822 -6.988 1.00 0.00 C ATOM 1372 C THR A 146 7.636 5.037 -6.293 1.00 0.00 C ATOM 1373 O THR A 146 8.645 5.582 -6.735 1.00 0.00 O ATOM 1374 CB THR A 146 6.721 4.164 -8.446 1.00 0.00 C ATOM 1375 OG1 THR A 146 5.494 4.867 -8.519 1.00 0.00 O ATOM 1376 CG2 THR A 146 6.629 2.879 -9.276 1.00 0.00 C ATOM 0 H THR A 146 4.984 3.922 -6.559 1.00 0.00 H new ATOM 0 HA THR A 146 7.760 3.009 -6.952 1.00 0.00 H new ATOM 0 HB THR A 146 7.520 4.790 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 146 4.749 4.234 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 146 6.405 3.131 -10.313 1.00 0.00 H new ATOM 0 HG22 THR A 146 7.579 2.347 -9.229 1.00 0.00 H new ATOM 0 HG23 THR A 146 5.837 2.244 -8.878 1.00 0.00 H new