USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -3.79! C(o=-3.8!,f=-19!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.265! USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.634 F(o=-2,f=-0.63) USER MOD Single : A 109 MET CE :methyl 167:sc= 0 (180deg=-0.0386) USER MOD Single : A 110 THR OG1 : rot 85:sc= 0.279 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -168:sc= -1.37 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -1.82! C(o=-1.8!,f=-11!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 144 MET CE :methyl 180:sc= -2.71! (180deg=-2.71!) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot -84:sc= 0.0827 USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 1.015 -14.456 -9.314 1.00 0.00 N ATOM 382 CA GLU A 82 0.396 -13.525 -10.246 1.00 0.00 C ATOM 383 C GLU A 82 -1.117 -13.719 -10.273 1.00 0.00 C ATOM 384 O GLU A 82 -1.874 -12.748 -10.239 1.00 0.00 O ATOM 385 CB GLU A 82 0.957 -13.748 -11.652 1.00 0.00 C ATOM 386 CG GLU A 82 2.426 -13.322 -11.692 1.00 0.00 C ATOM 387 CD GLU A 82 3.013 -13.598 -13.072 1.00 0.00 C ATOM 388 OE1 GLU A 82 2.264 -14.014 -13.941 1.00 0.00 O ATOM 389 OE2 GLU A 82 4.204 -13.392 -13.240 1.00 0.00 O ATOM 0 HA GLU A 82 0.618 -12.510 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.865 -14.798 -11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.382 -13.175 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.512 -12.261 -11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.991 -13.863 -10.933 1.00 0.00 H new ATOM 396 N GLU A 83 -1.550 -14.972 -10.322 1.00 0.00 N ATOM 397 CA GLU A 83 -2.976 -15.274 -10.347 1.00 0.00 C ATOM 398 C GLU A 83 -3.651 -14.806 -9.060 1.00 0.00 C ATOM 399 O GLU A 83 -4.747 -14.249 -9.091 1.00 0.00 O ATOM 400 CB GLU A 83 -3.185 -16.780 -10.511 1.00 0.00 C ATOM 401 CG GLU A 83 -2.713 -17.214 -11.898 1.00 0.00 C ATOM 402 CD GLU A 83 -2.821 -18.730 -12.037 1.00 0.00 C ATOM 403 OE1 GLU A 83 -3.293 -19.358 -11.104 1.00 0.00 O ATOM 404 OE2 GLU A 83 -2.426 -19.240 -13.072 1.00 0.00 O ATOM 0 H GLU A 83 -0.941 -15.790 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.423 -14.747 -11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.633 -17.320 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.238 -17.028 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.315 -16.727 -12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.681 -16.899 -12.055 1.00 0.00 H new ATOM 411 N GLU A 84 -2.989 -15.032 -7.933 1.00 0.00 N ATOM 412 CA GLU A 84 -3.535 -14.629 -6.643 1.00 0.00 C ATOM 413 C GLU A 84 -3.700 -13.116 -6.576 1.00 0.00 C ATOM 414 O GLU A 84 -4.677 -12.616 -6.018 1.00 0.00 O ATOM 415 CB GLU A 84 -2.610 -15.099 -5.516 1.00 0.00 C ATOM 416 CG GLU A 84 -2.764 -16.609 -5.318 1.00 0.00 C ATOM 417 CD GLU A 84 -4.126 -16.916 -4.704 1.00 0.00 C ATOM 418 OE1 GLU A 84 -4.693 -16.024 -4.093 1.00 0.00 O ATOM 419 OE2 GLU A 84 -4.580 -18.040 -4.846 1.00 0.00 O ATOM 0 H GLU A 84 -2.079 -15.489 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.515 -15.091 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.575 -14.858 -5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.852 -14.575 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.663 -17.122 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.971 -16.982 -4.670 1.00 0.00 H new ATOM 426 N ILE A 85 -2.740 -12.395 -7.144 1.00 0.00 N ATOM 427 CA ILE A 85 -2.795 -10.941 -7.140 1.00 0.00 C ATOM 428 C ILE A 85 -3.996 -10.448 -7.946 1.00 0.00 C ATOM 429 O ILE A 85 -4.718 -9.549 -7.514 1.00 0.00 O ATOM 430 CB ILE A 85 -1.504 -10.368 -7.735 1.00 0.00 C ATOM 431 CG1 ILE A 85 -0.334 -10.671 -6.795 1.00 0.00 C ATOM 432 CG2 ILE A 85 -1.646 -8.850 -7.906 1.00 0.00 C ATOM 433 CD1 ILE A 85 0.981 -10.305 -7.483 1.00 0.00 C ATOM 0 H ILE A 85 -1.922 -12.790 -7.608 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.901 -10.601 -6.110 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.318 -10.824 -8.707 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.442 -10.106 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.334 -11.727 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.727 -8.444 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.479 -8.636 -8.575 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.832 -8.390 -6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.814 -10.521 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.089 -10.890 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.979 -9.243 -7.730 1.00 0.00 H new ATOM 445 N ARG A 86 -4.200 -11.038 -9.122 1.00 0.00 N ATOM 446 CA ARG A 86 -5.305 -10.641 -9.979 1.00 0.00 C ATOM 447 C ARG A 86 -6.631 -10.814 -9.248 1.00 0.00 C ATOM 448 O ARG A 86 -7.489 -9.934 -9.285 1.00 0.00 O ATOM 449 CB ARG A 86 -5.306 -11.496 -11.247 1.00 0.00 C ATOM 450 CG ARG A 86 -4.127 -11.100 -12.136 1.00 0.00 C ATOM 451 CD ARG A 86 -4.113 -11.977 -13.390 1.00 0.00 C ATOM 452 NE ARG A 86 -5.346 -11.790 -14.147 1.00 0.00 N ATOM 453 CZ ARG A 86 -5.476 -10.793 -15.017 1.00 0.00 C ATOM 454 NH1 ARG A 86 -4.533 -9.898 -15.128 1.00 0.00 N ATOM 455 NH2 ARG A 86 -6.546 -10.709 -15.759 1.00 0.00 N ATOM 0 H ARG A 86 -3.617 -11.786 -9.497 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.182 -9.591 -10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.238 -12.552 -10.985 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.243 -11.361 -11.787 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.206 -10.049 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.191 -11.215 -11.589 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.254 -11.723 -14.011 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.005 -13.025 -13.109 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.123 -12.436 -14.006 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.697 -9.964 -14.548 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.632 -9.133 -15.795 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.283 -11.408 -15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.645 -9.944 -16.426 1.00 0.00 H new ATOM 469 N GLU A 87 -6.785 -11.947 -8.574 1.00 0.00 N ATOM 470 CA GLU A 87 -8.008 -12.217 -7.827 1.00 0.00 C ATOM 471 C GLU A 87 -8.130 -11.273 -6.636 1.00 0.00 C ATOM 472 O GLU A 87 -9.226 -10.832 -6.294 1.00 0.00 O ATOM 473 CB GLU A 87 -8.011 -13.671 -7.335 1.00 0.00 C ATOM 474 CG GLU A 87 -8.406 -14.604 -8.483 1.00 0.00 C ATOM 475 CD GLU A 87 -7.322 -14.600 -9.554 1.00 0.00 C ATOM 476 OE1 GLU A 87 -7.227 -13.615 -10.270 1.00 0.00 O ATOM 477 OE2 GLU A 87 -6.604 -15.581 -9.645 1.00 0.00 O ATOM 0 H GLU A 87 -6.085 -12.688 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.858 -12.056 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.024 -13.940 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.710 -13.783 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.553 -15.616 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.355 -14.283 -8.913 1.00 0.00 H new ATOM 484 N ALA A 88 -7.000 -10.972 -6.007 1.00 0.00 N ATOM 485 CA ALA A 88 -6.996 -10.084 -4.851 1.00 0.00 C ATOM 486 C ALA A 88 -7.585 -8.726 -5.217 1.00 0.00 C ATOM 487 O ALA A 88 -8.395 -8.171 -4.477 1.00 0.00 O ATOM 488 CB ALA A 88 -5.564 -9.899 -4.340 1.00 0.00 C ATOM 0 H ALA A 88 -6.082 -11.326 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.607 -10.534 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.569 -9.234 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.153 -10.866 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.950 -9.465 -5.129 1.00 0.00 H new ATOM 494 N PHE A 89 -7.173 -8.199 -6.363 1.00 0.00 N ATOM 495 CA PHE A 89 -7.665 -6.903 -6.816 1.00 0.00 C ATOM 496 C PHE A 89 -9.186 -6.921 -6.924 1.00 0.00 C ATOM 497 O PHE A 89 -9.859 -5.985 -6.490 1.00 0.00 O ATOM 498 CB PHE A 89 -7.061 -6.564 -8.181 1.00 0.00 C ATOM 499 CG PHE A 89 -7.464 -5.162 -8.576 1.00 0.00 C ATOM 500 CD1 PHE A 89 -8.688 -4.940 -9.216 1.00 0.00 C ATOM 501 CD2 PHE A 89 -6.612 -4.086 -8.302 1.00 0.00 C ATOM 502 CE1 PHE A 89 -9.061 -3.641 -9.581 1.00 0.00 C ATOM 503 CE2 PHE A 89 -6.984 -2.787 -8.669 1.00 0.00 C ATOM 504 CZ PHE A 89 -8.209 -2.563 -9.307 1.00 0.00 C ATOM 0 H PHE A 89 -6.505 -8.644 -6.992 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.369 -6.146 -6.089 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.975 -6.644 -8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.405 -7.277 -8.930 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -9.345 -5.770 -9.428 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.667 -4.258 -7.807 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -10.006 -3.470 -10.074 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.325 -1.957 -8.460 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.497 -1.561 -9.588 1.00 0.00 H new ATOM 514 N ARG A 90 -9.724 -7.986 -7.509 1.00 0.00 N ATOM 515 CA ARG A 90 -11.169 -8.108 -7.673 1.00 0.00 C ATOM 516 C ARG A 90 -11.865 -8.121 -6.314 1.00 0.00 C ATOM 517 O ARG A 90 -12.873 -7.445 -6.114 1.00 0.00 O ATOM 518 CB ARG A 90 -11.498 -9.400 -8.423 1.00 0.00 C ATOM 519 CG ARG A 90 -11.069 -9.264 -9.884 1.00 0.00 C ATOM 520 CD ARG A 90 -11.289 -10.594 -10.607 1.00 0.00 C ATOM 521 NE ARG A 90 -10.875 -10.485 -12.002 1.00 0.00 N ATOM 522 CZ ARG A 90 -10.734 -11.565 -12.763 1.00 0.00 C ATOM 523 NH1 ARG A 90 -11.540 -12.580 -12.613 1.00 0.00 N ATOM 524 NH2 ARG A 90 -9.787 -11.610 -13.661 1.00 0.00 N ATOM 0 H ARG A 90 -9.187 -8.772 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.525 -7.250 -8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.986 -10.243 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.567 -9.605 -8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.642 -8.475 -10.370 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.019 -8.977 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.722 -11.383 -10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.341 -10.876 -10.553 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.691 -9.564 -12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.279 -12.545 -11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.431 -13.409 -13.198 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.157 -10.817 -13.778 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.678 -12.439 -14.246 1.00 0.00 H new ATOM 538 N VAL A 91 -11.316 -8.890 -5.381 1.00 0.00 N ATOM 539 CA VAL A 91 -11.890 -8.986 -4.044 1.00 0.00 C ATOM 540 C VAL A 91 -11.884 -7.623 -3.361 1.00 0.00 C ATOM 541 O VAL A 91 -12.839 -7.257 -2.677 1.00 0.00 O ATOM 542 CB VAL A 91 -11.097 -9.987 -3.201 1.00 0.00 C ATOM 543 CG1 VAL A 91 -11.673 -10.032 -1.784 1.00 0.00 C ATOM 544 CG2 VAL A 91 -11.197 -11.378 -3.834 1.00 0.00 C ATOM 0 H VAL A 91 -10.478 -9.454 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.920 -9.330 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.052 -9.679 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.108 -10.745 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.604 -9.043 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.718 -10.340 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.632 -12.092 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.242 -11.685 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.788 -11.349 -4.844 1.00 0.00 H new ATOM 554 N GLU A 92 -10.797 -6.883 -3.541 1.00 0.00 N ATOM 555 CA GLU A 92 -10.671 -5.568 -2.923 1.00 0.00 C ATOM 556 C GLU A 92 -11.619 -4.576 -3.584 1.00 0.00 C ATOM 557 O GLU A 92 -12.021 -3.587 -2.972 1.00 0.00 O ATOM 558 CB GLU A 92 -9.232 -5.064 -3.061 1.00 0.00 C ATOM 559 CG GLU A 92 -8.306 -5.917 -2.193 1.00 0.00 C ATOM 560 CD GLU A 92 -6.856 -5.499 -2.410 1.00 0.00 C ATOM 561 OE1 GLU A 92 -6.634 -4.569 -3.167 1.00 0.00 O ATOM 562 OE2 GLU A 92 -5.986 -6.117 -1.817 1.00 0.00 O ATOM 0 H GLU A 92 -9.996 -7.167 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.928 -5.656 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.917 -5.112 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.171 -4.019 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.572 -5.803 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.430 -6.971 -2.441 1.00 0.00 H new ATOM 569 N ASP A 93 -11.980 -4.846 -4.836 1.00 0.00 N ATOM 570 CA ASP A 93 -12.888 -3.966 -5.566 1.00 0.00 C ATOM 571 C ASP A 93 -14.336 -4.401 -5.352 1.00 0.00 C ATOM 572 O ASP A 93 -14.987 -4.900 -6.270 1.00 0.00 O ATOM 573 CB ASP A 93 -12.558 -4.003 -7.059 1.00 0.00 C ATOM 574 CG ASP A 93 -13.205 -2.818 -7.763 1.00 0.00 C ATOM 575 OD1 ASP A 93 -13.845 -2.029 -7.089 1.00 0.00 O ATOM 576 OD2 ASP A 93 -13.054 -2.719 -8.967 1.00 0.00 O ATOM 0 H ASP A 93 -11.661 -5.660 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.765 -2.950 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.478 -3.977 -7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.915 -4.936 -7.496 1.00 0.00 H new ATOM 581 N LYS A 94 -14.833 -4.206 -4.136 1.00 0.00 N ATOM 582 CA LYS A 94 -16.206 -4.575 -3.814 1.00 0.00 C ATOM 583 C LYS A 94 -17.198 -3.779 -4.658 1.00 0.00 C ATOM 584 O LYS A 94 -18.189 -4.323 -5.144 1.00 0.00 O ATOM 585 CB LYS A 94 -16.476 -4.328 -2.326 1.00 0.00 C ATOM 586 CG LYS A 94 -16.286 -2.844 -2.010 1.00 0.00 C ATOM 587 CD LYS A 94 -16.375 -2.627 -0.501 1.00 0.00 C ATOM 588 CE LYS A 94 -16.196 -1.139 -0.190 1.00 0.00 C ATOM 589 NZ LYS A 94 -16.284 -0.926 1.282 1.00 0.00 N ATOM 0 H LYS A 94 -14.310 -3.797 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.337 -5.634 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -17.490 -4.637 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -15.799 -4.929 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.319 -2.504 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -17.048 -2.253 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -17.339 -2.974 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.608 -3.211 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.232 -0.792 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.963 -0.555 -0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.162 0.085 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.214 -1.242 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.537 -1.472 1.757 1.00 0.00 H new ATOM 603 N ASP A 95 -16.927 -2.488 -4.817 1.00 0.00 N ATOM 604 CA ASP A 95 -17.809 -1.623 -5.588 1.00 0.00 C ATOM 605 C ASP A 95 -17.557 -1.799 -7.080 1.00 0.00 C ATOM 606 O ASP A 95 -18.239 -1.198 -7.908 1.00 0.00 O ATOM 607 CB ASP A 95 -17.573 -0.161 -5.202 1.00 0.00 C ATOM 608 CG ASP A 95 -16.098 0.190 -5.365 1.00 0.00 C ATOM 609 OD1 ASP A 95 -15.324 -0.709 -5.644 1.00 0.00 O ATOM 610 OD2 ASP A 95 -15.764 1.354 -5.204 1.00 0.00 O ATOM 0 H ASP A 95 -16.109 -2.021 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.841 -1.897 -5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -18.182 0.492 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.883 0.006 -4.170 1.00 0.00 H new ATOM 615 N GLY A 96 -16.581 -2.637 -7.414 1.00 0.00 N ATOM 616 CA GLY A 96 -16.255 -2.892 -8.812 1.00 0.00 C ATOM 617 C GLY A 96 -15.879 -1.600 -9.526 1.00 0.00 C ATOM 618 O GLY A 96 -15.936 -1.519 -10.753 1.00 0.00 O ATOM 0 H GLY A 96 -16.007 -3.147 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -15.429 -3.600 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.108 -3.353 -9.310 1.00 0.00 H new ATOM 622 N ASN A 97 -15.491 -0.593 -8.750 1.00 0.00 N ATOM 623 CA ASN A 97 -15.104 0.692 -9.322 1.00 0.00 C ATOM 624 C ASN A 97 -13.796 0.562 -10.094 1.00 0.00 C ATOM 625 O ASN A 97 -13.520 1.344 -11.005 1.00 0.00 O ATOM 626 CB ASN A 97 -14.941 1.731 -8.209 1.00 0.00 C ATOM 627 CG ASN A 97 -13.773 1.351 -7.308 1.00 0.00 C ATOM 628 OD1 ASN A 97 -13.228 0.253 -7.424 1.00 0.00 O ATOM 629 ND2 ASN A 97 -13.352 2.197 -6.408 1.00 0.00 N ATOM 0 H ASN A 97 -15.436 -0.640 -7.733 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.887 1.014 -10.008 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.771 2.717 -8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.858 1.795 -7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.571 1.949 -5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.804 3.107 -6.312 1.00 0.00 H new ATOM 636 N GLY A 98 -12.993 -0.430 -9.724 1.00 0.00 N ATOM 637 CA GLY A 98 -11.712 -0.653 -10.389 1.00 0.00 C ATOM 638 C GLY A 98 -10.611 0.168 -9.734 1.00 0.00 C ATOM 639 O GLY A 98 -9.570 0.424 -10.340 1.00 0.00 O ATOM 0 H GLY A 98 -13.203 -1.088 -8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.456 -1.712 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.793 -0.386 -11.443 1.00 0.00 H new ATOM 643 N TYR A 99 -10.843 0.583 -8.492 1.00 0.00 N ATOM 644 CA TYR A 99 -9.856 1.377 -7.765 1.00 0.00 C ATOM 645 C TYR A 99 -9.892 1.037 -6.281 1.00 0.00 C ATOM 646 O TYR A 99 -10.940 0.686 -5.735 1.00 0.00 O ATOM 647 CB TYR A 99 -10.144 2.866 -7.956 1.00 0.00 C ATOM 648 CG TYR A 99 -10.253 3.168 -9.431 1.00 0.00 C ATOM 649 CD1 TYR A 99 -9.097 3.400 -10.186 1.00 0.00 C ATOM 650 CD2 TYR A 99 -11.511 3.216 -10.044 1.00 0.00 C ATOM 651 CE1 TYR A 99 -9.200 3.681 -11.554 1.00 0.00 C ATOM 652 CE2 TYR A 99 -11.614 3.497 -11.411 1.00 0.00 C ATOM 653 CZ TYR A 99 -10.459 3.729 -12.167 1.00 0.00 C ATOM 654 OH TYR A 99 -10.560 4.005 -13.515 1.00 0.00 O ATOM 0 H TYR A 99 -11.697 0.385 -7.971 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.866 1.146 -8.157 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.070 3.137 -7.448 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.349 3.462 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -8.126 3.362 -9.714 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.402 3.036 -9.461 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -8.309 3.861 -12.137 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -12.585 3.535 -11.883 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.503 3.999 -13.780 1.00 0.00 H new ATOM 664 N ILE A 100 -8.743 1.155 -5.624 1.00 0.00 N ATOM 665 CA ILE A 100 -8.656 0.868 -4.191 1.00 0.00 C ATOM 666 C ILE A 100 -8.638 2.166 -3.394 1.00 0.00 C ATOM 667 O ILE A 100 -7.698 2.954 -3.488 1.00 0.00 O ATOM 668 CB ILE A 100 -7.385 0.059 -3.894 1.00 0.00 C ATOM 669 CG1 ILE A 100 -7.605 -1.400 -4.306 1.00 0.00 C ATOM 670 CG2 ILE A 100 -7.060 0.125 -2.398 1.00 0.00 C ATOM 671 CD1 ILE A 100 -7.883 -1.479 -5.810 1.00 0.00 C ATOM 0 H ILE A 100 -7.864 1.445 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.529 0.285 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.552 0.479 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.725 -1.994 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.442 -1.822 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.157 -0.451 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.901 1.163 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.891 -0.290 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.039 -2.519 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.776 -0.900 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.033 -1.074 -6.359 1.00 0.00 H new ATOM 683 N SER A 101 -9.672 2.369 -2.587 1.00 0.00 N ATOM 684 CA SER A 101 -9.764 3.566 -1.754 1.00 0.00 C ATOM 685 C SER A 101 -9.257 3.282 -0.343 1.00 0.00 C ATOM 686 O SER A 101 -8.839 2.165 -0.036 1.00 0.00 O ATOM 687 CB SER A 101 -11.212 4.045 -1.688 1.00 0.00 C ATOM 688 OG SER A 101 -11.331 5.032 -0.673 1.00 0.00 O ATOM 0 H SER A 101 -10.457 1.724 -2.490 1.00 0.00 H new ATOM 0 HA SER A 101 -9.143 4.342 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.516 4.457 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.876 3.207 -1.477 1.00 0.00 H new ATOM 0 HG SER A 101 -12.259 5.344 -0.628 1.00 0.00 H new ATOM 694 N ALA A 102 -9.292 4.302 0.510 1.00 0.00 N ATOM 695 CA ALA A 102 -8.830 4.149 1.884 1.00 0.00 C ATOM 696 C ALA A 102 -9.606 3.039 2.589 1.00 0.00 C ATOM 697 O ALA A 102 -9.018 2.165 3.225 1.00 0.00 O ATOM 698 CB ALA A 102 -9.016 5.464 2.644 1.00 0.00 C ATOM 0 H ALA A 102 -9.632 5.235 0.276 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.773 3.884 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.669 5.343 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.440 6.251 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.072 5.736 2.648 1.00 0.00 H new ATOM 704 N ALA A 103 -10.928 3.080 2.470 1.00 0.00 N ATOM 705 CA ALA A 103 -11.775 2.075 3.103 1.00 0.00 C ATOM 706 C ALA A 103 -11.348 0.676 2.671 1.00 0.00 C ATOM 707 O ALA A 103 -11.213 -0.225 3.498 1.00 0.00 O ATOM 708 CB ALA A 103 -13.236 2.305 2.715 1.00 0.00 C ATOM 0 H ALA A 103 -11.434 3.793 1.945 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.669 2.162 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.862 1.551 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.548 3.296 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.341 2.232 1.632 1.00 0.00 H new ATOM 714 N GLU A 104 -11.129 0.503 1.371 1.00 0.00 N ATOM 715 CA GLU A 104 -10.710 -0.791 0.841 1.00 0.00 C ATOM 716 C GLU A 104 -9.268 -1.091 1.236 1.00 0.00 C ATOM 717 O GLU A 104 -8.923 -2.228 1.554 1.00 0.00 O ATOM 718 CB GLU A 104 -10.838 -0.797 -0.682 1.00 0.00 C ATOM 719 CG GLU A 104 -12.280 -0.473 -1.075 1.00 0.00 C ATOM 720 CD GLU A 104 -12.391 -0.348 -2.591 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.888 -1.224 -3.276 1.00 0.00 O ATOM 722 OE2 GLU A 104 -12.975 0.621 -3.045 1.00 0.00 O ATOM 0 H GLU A 104 -11.234 1.236 0.670 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.356 -1.562 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.158 -0.065 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.552 -1.772 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.948 -1.256 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.595 0.457 -0.601 1.00 0.00 H new ATOM 729 N LEU A 105 -8.431 -0.062 1.218 1.00 0.00 N ATOM 730 CA LEU A 105 -7.034 -0.222 1.580 1.00 0.00 C ATOM 731 C LEU A 105 -6.897 -0.634 3.042 1.00 0.00 C ATOM 732 O LEU A 105 -5.964 -1.348 3.413 1.00 0.00 O ATOM 733 CB LEU A 105 -6.270 1.088 1.344 1.00 0.00 C ATOM 734 CG LEU A 105 -4.796 0.913 1.732 1.00 0.00 C ATOM 735 CD1 LEU A 105 -4.172 -0.217 0.899 1.00 0.00 C ATOM 736 CD2 LEU A 105 -4.044 2.217 1.474 1.00 0.00 C ATOM 0 H LEU A 105 -8.696 0.888 0.957 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.611 -1.006 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.347 1.380 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.717 1.890 1.932 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.728 0.658 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.125 -0.339 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.708 -1.147 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.239 0.032 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.997 2.094 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.113 2.474 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.485 3.015 2.071 1.00 0.00 H new ATOM 748 N ARG A 106 -7.828 -0.170 3.866 1.00 0.00 N ATOM 749 CA ARG A 106 -7.804 -0.493 5.288 1.00 0.00 C ATOM 750 C ARG A 106 -8.135 -1.967 5.510 1.00 0.00 C ATOM 751 O ARG A 106 -7.560 -2.618 6.382 1.00 0.00 O ATOM 752 CB ARG A 106 -8.803 0.388 6.041 1.00 0.00 C ATOM 753 CG ARG A 106 -8.693 0.115 7.542 1.00 0.00 C ATOM 754 CD ARG A 106 -9.625 1.063 8.299 1.00 0.00 C ATOM 755 NE ARG A 106 -9.420 0.931 9.739 1.00 0.00 N ATOM 756 CZ ARG A 106 -10.180 0.125 10.475 1.00 0.00 C ATOM 757 NH1 ARG A 106 -10.857 -0.832 9.903 1.00 0.00 N ATOM 758 NH2 ARG A 106 -10.253 0.297 11.765 1.00 0.00 N ATOM 0 H ARG A 106 -8.604 0.427 3.578 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.801 -0.303 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.603 1.440 5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.817 0.183 5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.958 -0.921 7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.664 0.256 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.438 2.092 7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.662 0.840 8.050 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.679 1.468 10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.803 -0.961 8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.440 -1.451 10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.727 1.050 12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.836 -0.321 12.330 1.00 0.00 H new ATOM 772 N HIS A 107 -9.079 -2.475 4.730 1.00 0.00 N ATOM 773 CA HIS A 107 -9.494 -3.869 4.858 1.00 0.00 C ATOM 774 C HIS A 107 -8.294 -4.795 4.702 1.00 0.00 C ATOM 775 O HIS A 107 -8.137 -5.757 5.455 1.00 0.00 O ATOM 776 CB HIS A 107 -10.539 -4.205 3.792 1.00 0.00 C ATOM 777 CG HIS A 107 -11.835 -3.517 4.124 1.00 0.00 C ATOM 778 ND1 HIS A 107 -12.113 -2.388 4.854 1.00 0.00 N flip ATOM 779 CD2 HIS A 107 -13.058 -3.993 3.681 1.00 0.00 C flip ATOM 780 CE1 HIS A 107 -13.486 -2.165 4.867 1.00 0.00 C flip ATOM 781 NE2 HIS A 107 -14.009 -3.161 4.145 1.00 0.00 N flip ATOM 0 H HIS A 107 -9.570 -1.949 4.007 1.00 0.00 H new ATOM 0 HA HIS A 107 -9.928 -4.011 5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -10.188 -3.887 2.810 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.690 -5.283 3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.219 -4.872 3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.015 -1.360 5.355 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -15.007 -3.276 3.967 1.00 0.00 H new ATOM 789 N VAL A 108 -7.445 -4.498 3.724 1.00 0.00 N ATOM 790 CA VAL A 108 -6.259 -5.313 3.486 1.00 0.00 C ATOM 791 C VAL A 108 -5.325 -5.266 4.692 1.00 0.00 C ATOM 792 O VAL A 108 -4.851 -6.300 5.161 1.00 0.00 O ATOM 793 CB VAL A 108 -5.520 -4.805 2.243 1.00 0.00 C ATOM 794 CG1 VAL A 108 -4.185 -5.541 2.101 1.00 0.00 C ATOM 795 CG2 VAL A 108 -6.377 -5.063 1.002 1.00 0.00 C ATOM 0 H VAL A 108 -7.554 -3.707 3.089 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.574 -6.344 3.326 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.334 -3.736 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.662 -5.178 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.573 -5.359 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.368 -6.611 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.853 -4.702 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.562 -6.133 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.327 -4.538 1.100 1.00 0.00 H new ATOM 805 N MET A 109 -5.064 -4.062 5.188 1.00 0.00 N ATOM 806 CA MET A 109 -4.184 -3.894 6.340 1.00 0.00 C ATOM 807 C MET A 109 -4.811 -4.518 7.583 1.00 0.00 C ATOM 808 O MET A 109 -4.127 -5.149 8.386 1.00 0.00 O ATOM 809 CB MET A 109 -3.924 -2.407 6.583 1.00 0.00 C ATOM 810 CG MET A 109 -3.184 -1.814 5.382 1.00 0.00 C ATOM 811 SD MET A 109 -3.055 -0.019 5.579 1.00 0.00 S ATOM 812 CE MET A 109 -1.894 0.275 4.223 1.00 0.00 C ATOM 0 H MET A 109 -5.446 -3.193 4.814 1.00 0.00 H new ATOM 0 HA MET A 109 -3.239 -4.396 6.134 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.867 -1.883 6.737 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.333 -2.274 7.489 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.190 -2.254 5.300 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.715 -2.052 4.460 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.847 1.343 4.009 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.904 -0.082 4.508 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.230 -0.258 3.334 1.00 0.00 H new ATOM 822 N THR A 110 -6.119 -4.331 7.733 1.00 0.00 N ATOM 823 CA THR A 110 -6.834 -4.879 8.881 1.00 0.00 C ATOM 824 C THR A 110 -6.774 -6.403 8.867 1.00 0.00 C ATOM 825 O THR A 110 -6.578 -7.038 9.903 1.00 0.00 O ATOM 826 CB THR A 110 -8.293 -4.419 8.862 1.00 0.00 C ATOM 827 OG1 THR A 110 -8.343 -3.025 8.588 1.00 0.00 O ATOM 828 CG2 THR A 110 -8.932 -4.691 10.223 1.00 0.00 C ATOM 0 H THR A 110 -6.702 -3.808 7.079 1.00 0.00 H new ATOM 0 HA THR A 110 -6.356 -4.515 9.791 1.00 0.00 H new ATOM 0 HB THR A 110 -8.836 -4.964 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.316 -2.881 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.971 -4.363 10.209 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.891 -5.759 10.437 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.390 -4.145 10.995 1.00 0.00 H new ATOM 836 N ASN A 111 -6.950 -6.985 7.684 1.00 0.00 N ATOM 837 CA ASN A 111 -6.918 -8.436 7.544 1.00 0.00 C ATOM 838 C ASN A 111 -5.564 -8.983 7.980 1.00 0.00 C ATOM 839 O ASN A 111 -5.477 -10.062 8.564 1.00 0.00 O ATOM 840 CB ASN A 111 -7.185 -8.827 6.089 1.00 0.00 C ATOM 841 CG ASN A 111 -7.143 -10.343 5.941 1.00 0.00 C ATOM 842 OD1 ASN A 111 -7.559 -11.068 6.845 1.00 0.00 O ATOM 843 ND2 ASN A 111 -6.661 -10.870 4.848 1.00 0.00 N ATOM 0 H ASN A 111 -7.115 -6.478 6.815 1.00 0.00 H new ATOM 0 HA ASN A 111 -7.693 -8.862 8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -8.158 -8.449 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.440 -8.369 5.438 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -6.629 -11.884 4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.317 -10.268 4.100 1.00 0.00 H new ATOM 850 N LEU A 112 -4.507 -8.231 7.692 1.00 0.00 N ATOM 851 CA LEU A 112 -3.160 -8.650 8.059 1.00 0.00 C ATOM 852 C LEU A 112 -2.953 -8.536 9.560 1.00 0.00 C ATOM 853 O LEU A 112 -1.971 -9.045 10.103 1.00 0.00 O ATOM 854 CB LEU A 112 -2.127 -7.782 7.336 1.00 0.00 C ATOM 855 CG LEU A 112 -2.196 -8.053 5.830 1.00 0.00 C ATOM 856 CD1 LEU A 112 -1.328 -7.036 5.087 1.00 0.00 C ATOM 857 CD2 LEU A 112 -1.691 -9.478 5.531 1.00 0.00 C ATOM 0 H LEU A 112 -4.556 -7.334 7.209 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.033 -9.692 7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.319 -6.728 7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.127 -8.001 7.710 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.230 -7.962 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.377 -7.229 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.692 -6.029 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.295 -7.124 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.743 -9.665 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.659 -9.576 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.314 -10.202 6.056 1.00 0.00 H new ATOM 869 N GLY A 113 -3.887 -7.874 10.234 1.00 0.00 N ATOM 870 CA GLY A 113 -3.802 -7.705 11.684 1.00 0.00 C ATOM 871 C GLY A 113 -3.263 -6.325 12.040 1.00 0.00 C ATOM 872 O GLY A 113 -3.473 -5.834 13.148 1.00 0.00 O ATOM 0 H GLY A 113 -4.708 -7.447 9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.788 -7.840 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.154 -8.473 12.106 1.00 0.00 H new ATOM 876 N GLU A 114 -2.568 -5.704 11.092 1.00 0.00 N ATOM 877 CA GLU A 114 -2.003 -4.379 11.317 1.00 0.00 C ATOM 878 C GLU A 114 -3.110 -3.341 11.428 1.00 0.00 C ATOM 879 O GLU A 114 -4.019 -3.300 10.601 1.00 0.00 O ATOM 880 CB GLU A 114 -1.067 -4.006 10.169 1.00 0.00 C ATOM 881 CG GLU A 114 0.179 -4.890 10.218 1.00 0.00 C ATOM 882 CD GLU A 114 1.088 -4.576 9.035 1.00 0.00 C ATOM 883 OE1 GLU A 114 0.723 -3.725 8.242 1.00 0.00 O ATOM 884 OE2 GLU A 114 2.138 -5.190 8.941 1.00 0.00 O ATOM 0 H GLU A 114 -2.384 -6.094 10.168 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.440 -4.399 12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.578 -4.132 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.784 -2.956 10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.715 -4.726 11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.110 -5.941 10.197 1.00 0.00 H new ATOM 891 N LYS A 115 -3.029 -2.500 12.456 1.00 0.00 N ATOM 892 CA LYS A 115 -4.033 -1.456 12.672 1.00 0.00 C ATOM 893 C LYS A 115 -3.414 -0.080 12.483 1.00 0.00 C ATOM 894 O LYS A 115 -2.594 0.363 13.285 1.00 0.00 O ATOM 895 CB LYS A 115 -4.610 -1.571 14.086 1.00 0.00 C ATOM 896 CG LYS A 115 -3.490 -1.904 15.074 1.00 0.00 C ATOM 897 CD LYS A 115 -4.069 -2.005 16.485 1.00 0.00 C ATOM 898 CE LYS A 115 -2.959 -2.387 17.465 1.00 0.00 C ATOM 899 NZ LYS A 115 -3.524 -2.492 18.839 1.00 0.00 N ATOM 0 H LYS A 115 -2.283 -2.519 13.151 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.833 -1.587 11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.092 -0.636 14.370 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.376 -2.346 14.115 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.014 -2.844 14.797 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.719 -1.134 15.040 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.514 -1.054 16.776 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.864 -2.750 16.511 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.511 -3.336 17.171 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.166 -1.639 17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.769 -2.752 19.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.932 -1.577 19.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.266 -3.221 18.855 1.00 0.00 H new ATOM 913 N LEU A 116 -3.812 0.602 11.415 1.00 0.00 N ATOM 914 CA LEU A 116 -3.289 1.937 11.126 1.00 0.00 C ATOM 915 C LEU A 116 -4.345 2.998 11.406 1.00 0.00 C ATOM 916 O LEU A 116 -5.539 2.764 11.226 1.00 0.00 O ATOM 917 CB LEU A 116 -2.860 2.023 9.656 1.00 0.00 C ATOM 918 CG LEU A 116 -1.515 1.313 9.468 1.00 0.00 C ATOM 919 CD1 LEU A 116 -1.702 -0.206 9.595 1.00 0.00 C ATOM 920 CD2 LEU A 116 -0.950 1.647 8.087 1.00 0.00 C ATOM 0 H LEU A 116 -4.491 0.257 10.737 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.428 2.116 11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.616 1.564 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.777 3.066 9.352 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.821 1.652 10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.742 -0.703 9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.098 -0.443 10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.400 -0.552 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.007 1.142 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.647 1.313 7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.806 2.724 8.003 1.00 0.00 H new ATOM 932 N THR A 117 -3.892 4.165 11.856 1.00 0.00 N ATOM 933 CA THR A 117 -4.807 5.257 12.168 1.00 0.00 C ATOM 934 C THR A 117 -5.320 5.902 10.887 1.00 0.00 C ATOM 935 O THR A 117 -4.792 5.658 9.805 1.00 0.00 O ATOM 936 CB THR A 117 -4.095 6.308 13.021 1.00 0.00 C ATOM 937 OG1 THR A 117 -2.845 6.619 12.430 1.00 0.00 O ATOM 938 CG2 THR A 117 -3.871 5.763 14.430 1.00 0.00 C ATOM 0 H THR A 117 -2.906 4.377 12.011 1.00 0.00 H new ATOM 0 HA THR A 117 -5.653 4.852 12.724 1.00 0.00 H new ATOM 0 HB THR A 117 -4.709 7.207 13.078 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.306 7.141 13.060 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.364 6.515 15.034 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.832 5.521 14.884 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.257 4.864 14.379 1.00 0.00 H new ATOM 946 N ASP A 118 -6.366 6.709 11.016 1.00 0.00 N ATOM 947 CA ASP A 118 -6.958 7.366 9.857 1.00 0.00 C ATOM 948 C ASP A 118 -5.970 8.336 9.223 1.00 0.00 C ATOM 949 O ASP A 118 -5.899 8.451 7.998 1.00 0.00 O ATOM 950 CB ASP A 118 -8.218 8.125 10.273 1.00 0.00 C ATOM 951 CG ASP A 118 -7.874 9.174 11.322 1.00 0.00 C ATOM 952 OD1 ASP A 118 -6.801 9.079 11.892 1.00 0.00 O ATOM 953 OD2 ASP A 118 -8.690 10.052 11.544 1.00 0.00 O ATOM 0 H ASP A 118 -6.819 6.923 11.904 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.217 6.600 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -8.668 8.603 9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -8.956 7.429 10.672 1.00 0.00 H new ATOM 958 N GLU A 119 -5.209 9.036 10.060 1.00 0.00 N ATOM 959 CA GLU A 119 -4.232 9.994 9.569 1.00 0.00 C ATOM 960 C GLU A 119 -3.087 9.282 8.855 1.00 0.00 C ATOM 961 O GLU A 119 -2.592 9.757 7.833 1.00 0.00 O ATOM 962 CB GLU A 119 -3.678 10.813 10.735 1.00 0.00 C ATOM 963 CG GLU A 119 -4.783 11.702 11.308 1.00 0.00 C ATOM 964 CD GLU A 119 -4.246 12.509 12.486 1.00 0.00 C ATOM 965 OE1 GLU A 119 -3.072 12.371 12.788 1.00 0.00 O ATOM 966 OE2 GLU A 119 -5.016 13.256 13.068 1.00 0.00 O ATOM 0 H GLU A 119 -5.252 8.956 11.076 1.00 0.00 H new ATOM 0 HA GLU A 119 -4.727 10.656 8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -3.294 10.149 11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.842 11.426 10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.157 12.375 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.624 11.088 11.630 1.00 0.00 H new ATOM 973 N GLU A 120 -2.672 8.144 9.399 1.00 0.00 N ATOM 974 CA GLU A 120 -1.586 7.375 8.804 1.00 0.00 C ATOM 975 C GLU A 120 -1.991 6.848 7.432 1.00 0.00 C ATOM 976 O GLU A 120 -1.184 6.827 6.504 1.00 0.00 O ATOM 977 CB GLU A 120 -1.214 6.203 9.717 1.00 0.00 C ATOM 978 CG GLU A 120 -0.425 6.723 10.922 1.00 0.00 C ATOM 979 CD GLU A 120 -0.174 5.587 11.908 1.00 0.00 C ATOM 980 OE1 GLU A 120 -0.606 4.480 11.629 1.00 0.00 O ATOM 981 OE2 GLU A 120 0.448 5.840 12.926 1.00 0.00 O ATOM 0 H GLU A 120 -3.068 7.735 10.246 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.723 8.031 8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.115 5.690 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.619 5.474 9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.524 7.145 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.978 7.525 11.411 1.00 0.00 H new ATOM 988 N VAL A 121 -3.244 6.426 7.312 1.00 0.00 N ATOM 989 CA VAL A 121 -3.743 5.904 6.047 1.00 0.00 C ATOM 990 C VAL A 121 -3.704 6.987 4.973 1.00 0.00 C ATOM 991 O VAL A 121 -3.264 6.746 3.854 1.00 0.00 O ATOM 992 CB VAL A 121 -5.179 5.400 6.220 1.00 0.00 C ATOM 993 CG1 VAL A 121 -5.770 5.049 4.850 1.00 0.00 C ATOM 994 CG2 VAL A 121 -5.177 4.151 7.108 1.00 0.00 C ATOM 0 H VAL A 121 -3.928 6.435 8.069 1.00 0.00 H new ATOM 0 HA VAL A 121 -3.105 5.076 5.736 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.782 6.179 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.792 4.691 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.772 5.936 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.167 4.270 4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.198 3.791 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.573 3.373 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.759 4.399 8.084 1.00 0.00 H new ATOM 1004 N ASP A 122 -4.173 8.179 5.323 1.00 0.00 N ATOM 1005 CA ASP A 122 -4.190 9.288 4.375 1.00 0.00 C ATOM 1006 C ASP A 122 -2.777 9.617 3.909 1.00 0.00 C ATOM 1007 O ASP A 122 -2.535 9.813 2.719 1.00 0.00 O ATOM 1008 CB ASP A 122 -4.813 10.521 5.031 1.00 0.00 C ATOM 1009 CG ASP A 122 -5.085 11.591 3.978 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -5.176 11.237 2.813 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -5.195 12.747 4.350 1.00 0.00 O ATOM 0 H ASP A 122 -4.543 8.402 6.247 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.785 8.995 3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.742 10.247 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.143 10.914 5.796 1.00 0.00 H new ATOM 1016 N GLU A 123 -1.849 9.673 4.856 1.00 0.00 N ATOM 1017 CA GLU A 123 -0.459 9.976 4.533 1.00 0.00 C ATOM 1018 C GLU A 123 0.171 8.833 3.745 1.00 0.00 C ATOM 1019 O GLU A 123 0.953 9.059 2.821 1.00 0.00 O ATOM 1020 CB GLU A 123 0.337 10.214 5.817 1.00 0.00 C ATOM 1021 CG GLU A 123 -0.196 11.458 6.528 1.00 0.00 C ATOM 1022 CD GLU A 123 0.149 12.708 5.723 1.00 0.00 C ATOM 1023 OE1 GLU A 123 0.914 12.590 4.781 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -0.353 13.766 6.066 1.00 0.00 O ATOM 0 H GLU A 123 -2.031 9.514 5.847 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.438 10.878 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.258 9.346 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.394 10.341 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.276 11.382 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.235 11.528 7.527 1.00 0.00 H new ATOM 1031 N MET A 124 -0.170 7.603 4.118 1.00 0.00 N ATOM 1032 CA MET A 124 0.371 6.437 3.440 1.00 0.00 C ATOM 1033 C MET A 124 -0.028 6.432 1.969 1.00 0.00 C ATOM 1034 O MET A 124 0.796 6.169 1.094 1.00 0.00 O ATOM 1035 CB MET A 124 -0.143 5.161 4.111 1.00 0.00 C ATOM 1036 CG MET A 124 0.476 3.936 3.430 1.00 0.00 C ATOM 1037 SD MET A 124 -0.489 3.511 1.959 1.00 0.00 S ATOM 1038 CE MET A 124 0.472 2.059 1.466 1.00 0.00 C ATOM 0 H MET A 124 -0.814 7.392 4.881 1.00 0.00 H new ATOM 0 HA MET A 124 1.458 6.476 3.507 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.112 5.168 5.171 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.230 5.116 4.045 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.509 4.144 3.152 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.495 3.093 4.121 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.043 1.629 0.561 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.504 2.353 1.274 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.449 1.319 2.266 1.00 0.00 H new ATOM 1048 N ILE A 125 -1.299 6.717 1.702 1.00 0.00 N ATOM 1049 CA ILE A 125 -1.792 6.733 0.334 1.00 0.00 C ATOM 1050 C ILE A 125 -1.084 7.812 -0.476 1.00 0.00 C ATOM 1051 O ILE A 125 -0.682 7.578 -1.612 1.00 0.00 O ATOM 1052 CB ILE A 125 -3.301 7.003 0.332 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -4.030 5.813 0.959 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -3.788 7.192 -1.109 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -5.498 6.179 1.194 1.00 0.00 C ATOM 0 H ILE A 125 -1.999 6.938 2.410 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.591 5.762 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.508 7.906 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.961 4.945 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.557 5.539 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.861 7.384 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.269 8.037 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.581 6.290 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.017 5.331 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.556 7.035 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.967 6.431 0.243 1.00 0.00 H new ATOM 1067 N ARG A 126 -0.942 8.994 0.111 1.00 0.00 N ATOM 1068 CA ARG A 126 -0.286 10.101 -0.577 1.00 0.00 C ATOM 1069 C ARG A 126 1.178 9.774 -0.856 1.00 0.00 C ATOM 1070 O ARG A 126 1.676 10.011 -1.956 1.00 0.00 O ATOM 1071 CB ARG A 126 -0.374 11.368 0.277 1.00 0.00 C ATOM 1072 CG ARG A 126 0.252 12.540 -0.482 1.00 0.00 C ATOM 1073 CD ARG A 126 -0.016 13.842 0.277 1.00 0.00 C ATOM 1074 NE ARG A 126 -1.430 14.190 0.197 1.00 0.00 N ATOM 1075 CZ ARG A 126 -1.944 15.157 0.951 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -1.469 16.370 0.870 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -2.923 14.894 1.771 1.00 0.00 N ATOM 0 H ARG A 126 -1.268 9.211 1.053 1.00 0.00 H new ATOM 0 HA ARG A 126 -0.794 10.264 -1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.415 11.588 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.143 11.217 1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.325 12.385 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -0.165 12.600 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.280 13.731 1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.588 14.647 -0.142 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.035 13.683 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.703 16.576 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.863 17.112 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.295 13.946 1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.317 15.636 2.349 1.00 0.00 H new ATOM 1091 N GLU A 127 1.857 9.229 0.146 1.00 0.00 N ATOM 1092 CA GLU A 127 3.262 8.872 0.001 1.00 0.00 C ATOM 1093 C GLU A 127 3.417 7.657 -0.906 1.00 0.00 C ATOM 1094 O GLU A 127 4.412 7.524 -1.618 1.00 0.00 O ATOM 1095 CB GLU A 127 3.870 8.574 1.371 1.00 0.00 C ATOM 1096 CG GLU A 127 3.883 9.852 2.213 1.00 0.00 C ATOM 1097 CD GLU A 127 4.843 10.871 1.607 1.00 0.00 C ATOM 1098 OE1 GLU A 127 5.713 10.462 0.857 1.00 0.00 O ATOM 1099 OE2 GLU A 127 4.692 12.046 1.901 1.00 0.00 O ATOM 0 H GLU A 127 1.460 9.026 1.063 1.00 0.00 H new ATOM 0 HA GLU A 127 3.786 9.714 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.293 7.799 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.884 8.192 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.879 10.273 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.184 9.620 3.235 1.00 0.00 H new ATOM 1106 N ALA A 128 2.434 6.764 -0.863 1.00 0.00 N ATOM 1107 CA ALA A 128 2.476 5.553 -1.677 1.00 0.00 C ATOM 1108 C ALA A 128 1.944 5.830 -3.079 1.00 0.00 C ATOM 1109 O ALA A 128 2.356 5.192 -4.045 1.00 0.00 O ATOM 1110 CB ALA A 128 1.636 4.456 -1.020 1.00 0.00 C ATOM 0 H ALA A 128 1.604 6.854 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 128 3.512 5.224 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.671 3.555 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.034 4.237 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.603 4.793 -0.930 1.00 0.00 H new ATOM 1116 N ASP A 129 1.030 6.786 -3.183 1.00 0.00 N ATOM 1117 CA ASP A 129 0.449 7.133 -4.472 1.00 0.00 C ATOM 1118 C ASP A 129 1.462 7.883 -5.334 1.00 0.00 C ATOM 1119 O ASP A 129 1.756 9.051 -5.087 1.00 0.00 O ATOM 1120 CB ASP A 129 -0.794 8.004 -4.268 1.00 0.00 C ATOM 1121 CG ASP A 129 -1.328 8.481 -5.613 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -0.886 7.958 -6.622 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -2.169 9.363 -5.615 1.00 0.00 O ATOM 0 H ASP A 129 0.677 7.331 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 129 0.168 6.211 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -1.563 7.436 -3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.548 8.861 -3.641 1.00 0.00 H new ATOM 1128 N ILE A 130 1.980 7.202 -6.350 1.00 0.00 N ATOM 1129 CA ILE A 130 2.948 7.809 -7.251 1.00 0.00 C ATOM 1130 C ILE A 130 2.284 8.882 -8.106 1.00 0.00 C ATOM 1131 O ILE A 130 2.869 9.935 -8.365 1.00 0.00 O ATOM 1132 CB ILE A 130 3.576 6.742 -8.149 1.00 0.00 C ATOM 1133 CG1 ILE A 130 4.200 5.649 -7.277 1.00 0.00 C ATOM 1134 CG2 ILE A 130 4.660 7.378 -9.021 1.00 0.00 C ATOM 1135 CD1 ILE A 130 4.605 4.465 -8.156 1.00 0.00 C ATOM 0 H ILE A 130 1.746 6.234 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 130 3.730 8.275 -6.652 1.00 0.00 H new ATOM 0 HB ILE A 130 2.808 6.307 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 130 5.071 6.041 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 130 3.489 5.325 -6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 130 5.106 6.616 -9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 130 4.217 8.158 -9.641 1.00 0.00 H new ATOM 0 HG23 ILE A 130 5.430 7.814 -8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 130 5.049 3.687 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.724 4.068 -8.661 1.00 0.00 H new ATOM 0 HD13 ILE A 130 5.331 4.795 -8.899 1.00 0.00 H new ATOM 1147 N ASP A 131 1.067 8.599 -8.560 1.00 0.00 N ATOM 1148 CA ASP A 131 0.342 9.541 -9.405 1.00 0.00 C ATOM 1149 C ASP A 131 -0.264 10.653 -8.556 1.00 0.00 C ATOM 1150 O ASP A 131 -0.867 11.589 -9.080 1.00 0.00 O ATOM 1151 CB ASP A 131 -0.773 8.814 -10.156 1.00 0.00 C ATOM 1152 CG ASP A 131 -0.232 7.537 -10.789 1.00 0.00 C ATOM 1153 OD1 ASP A 131 0.692 7.635 -11.580 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -0.747 6.477 -10.467 1.00 0.00 O ATOM 0 H ASP A 131 0.566 7.733 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 131 1.040 9.976 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -1.586 8.573 -9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -1.187 9.464 -10.927 1.00 0.00 H new ATOM 1159 N GLY A 132 -0.087 10.552 -7.239 1.00 0.00 N ATOM 1160 CA GLY A 132 -0.610 11.564 -6.329 1.00 0.00 C ATOM 1161 C GLY A 132 -2.035 11.949 -6.704 1.00 0.00 C ATOM 1162 O GLY A 132 -2.458 13.084 -6.486 1.00 0.00 O ATOM 0 H GLY A 132 0.410 9.786 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.588 11.186 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.028 12.447 -6.355 1.00 0.00 H new ATOM 1166 N ASP A 133 -2.771 11.001 -7.278 1.00 0.00 N ATOM 1167 CA ASP A 133 -4.148 11.256 -7.685 1.00 0.00 C ATOM 1168 C ASP A 133 -5.103 11.010 -6.523 1.00 0.00 C ATOM 1169 O ASP A 133 -6.307 11.235 -6.640 1.00 0.00 O ATOM 1170 CB ASP A 133 -4.522 10.344 -8.855 1.00 0.00 C ATOM 1171 CG ASP A 133 -4.263 8.889 -8.486 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -3.582 8.659 -7.500 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -4.747 8.023 -9.198 1.00 0.00 O ATOM 0 H ASP A 133 -2.439 10.056 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 133 -4.230 12.298 -7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -5.572 10.481 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -3.940 10.613 -9.737 1.00 0.00 H new ATOM 1178 N GLY A 134 -4.557 10.555 -5.401 1.00 0.00 N ATOM 1179 CA GLY A 134 -5.372 10.287 -4.219 1.00 0.00 C ATOM 1180 C GLY A 134 -6.009 8.909 -4.301 1.00 0.00 C ATOM 1181 O GLY A 134 -6.684 8.470 -3.370 1.00 0.00 O ATOM 0 H GLY A 134 -3.562 10.365 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -4.754 10.354 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -6.149 11.046 -4.128 1.00 0.00 H new ATOM 1185 N GLN A 135 -5.792 8.224 -5.420 1.00 0.00 N ATOM 1186 CA GLN A 135 -6.353 6.887 -5.612 1.00 0.00 C ATOM 1187 C GLN A 135 -5.340 5.983 -6.301 1.00 0.00 C ATOM 1188 O GLN A 135 -4.438 6.453 -6.997 1.00 0.00 O ATOM 1189 CB GLN A 135 -7.624 6.971 -6.458 1.00 0.00 C ATOM 1190 CG GLN A 135 -8.730 7.654 -5.651 1.00 0.00 C ATOM 1191 CD GLN A 135 -9.974 7.823 -6.515 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -10.758 6.886 -6.665 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -10.209 8.973 -7.086 1.00 0.00 N ATOM 0 H GLN A 135 -5.236 8.568 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.596 6.468 -4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -7.428 7.530 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.941 5.972 -6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -8.968 7.060 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -8.387 8.627 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.558 9.748 -6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.044 9.097 -7.658 1.00 0.00 H new ATOM 1202 N VAL A 136 -5.493 4.677 -6.105 1.00 0.00 N ATOM 1203 CA VAL A 136 -4.584 3.705 -6.712 1.00 0.00 C ATOM 1204 C VAL A 136 -5.203 3.112 -7.971 1.00 0.00 C ATOM 1205 O VAL A 136 -6.351 2.668 -7.963 1.00 0.00 O ATOM 1206 CB VAL A 136 -4.275 2.586 -5.720 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -3.139 1.720 -6.267 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -3.851 3.196 -4.382 1.00 0.00 C ATOM 0 H VAL A 136 -6.233 4.267 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.660 4.217 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 136 -5.164 1.972 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.918 0.921 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.439 1.287 -7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.250 2.334 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.630 2.399 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.962 3.809 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -4.659 3.815 -3.992 1.00 0.00 H new ATOM 1218 N ASN A 137 -4.435 3.107 -9.057 1.00 0.00 N ATOM 1219 CA ASN A 137 -4.915 2.562 -10.328 1.00 0.00 C ATOM 1220 C ASN A 137 -4.447 1.121 -10.500 1.00 0.00 C ATOM 1221 O ASN A 137 -3.558 0.657 -9.786 1.00 0.00 O ATOM 1222 CB ASN A 137 -4.400 3.410 -11.489 1.00 0.00 C ATOM 1223 CG ASN A 137 -4.874 2.818 -12.812 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -4.269 1.876 -13.323 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -5.925 3.319 -13.401 1.00 0.00 N ATOM 0 H ASN A 137 -3.483 3.471 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.005 2.582 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.758 4.435 -11.390 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.311 3.449 -11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -6.247 2.930 -14.287 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -6.425 4.100 -12.975 1.00 0.00 H new ATOM 1232 N TYR A 138 -5.057 0.416 -11.450 1.00 0.00 N ATOM 1233 CA TYR A 138 -4.697 -0.976 -11.700 1.00 0.00 C ATOM 1234 C TYR A 138 -3.219 -1.081 -12.075 1.00 0.00 C ATOM 1235 O TYR A 138 -2.482 -1.876 -11.496 1.00 0.00 O ATOM 1236 CB TYR A 138 -5.555 -1.536 -12.836 1.00 0.00 C ATOM 1237 CG TYR A 138 -5.179 -2.977 -13.088 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -5.734 -3.991 -12.300 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -4.275 -3.297 -14.107 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -5.387 -5.327 -12.530 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -3.928 -4.634 -14.339 1.00 0.00 C ATOM 1242 CZ TYR A 138 -4.484 -5.648 -13.550 1.00 0.00 C ATOM 1243 OH TYR A 138 -4.141 -6.965 -13.778 1.00 0.00 O ATOM 0 H TYR A 138 -5.794 0.781 -12.053 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.874 -1.553 -10.792 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.611 -1.465 -12.577 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.408 -0.947 -13.741 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.431 -3.742 -11.513 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -3.845 -2.514 -14.714 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.815 -6.109 -11.921 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.232 -4.883 -15.126 1.00 0.00 H new ATOM 0 HH TYR A 138 -3.505 -7.013 -14.522 1.00 0.00 H new ATOM 1253 N GLU A 139 -2.790 -0.270 -13.043 1.00 0.00 N ATOM 1254 CA GLU A 139 -1.405 -0.281 -13.478 1.00 0.00 C ATOM 1255 C GLU A 139 -0.487 0.092 -12.318 1.00 0.00 C ATOM 1256 O GLU A 139 0.595 -0.474 -12.167 1.00 0.00 O ATOM 1257 CB GLU A 139 -1.215 0.713 -14.624 1.00 0.00 C ATOM 1258 CG GLU A 139 0.204 0.594 -15.166 1.00 0.00 C ATOM 1259 CD GLU A 139 0.410 1.565 -16.325 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -0.580 2.067 -16.830 1.00 0.00 O ATOM 1261 OE2 GLU A 139 1.552 1.795 -16.689 1.00 0.00 O ATOM 0 H GLU A 139 -3.384 0.398 -13.535 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.152 -1.283 -13.823 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.937 0.514 -15.416 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.398 1.729 -14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 139 0.922 0.805 -14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 139 0.389 -0.427 -15.500 1.00 0.00 H new ATOM 1268 N GLU A 140 -0.922 1.045 -11.490 1.00 0.00 N ATOM 1269 CA GLU A 140 -0.134 1.472 -10.352 1.00 0.00 C ATOM 1270 C GLU A 140 -0.096 0.379 -9.288 1.00 0.00 C ATOM 1271 O GLU A 140 0.943 0.132 -8.677 1.00 0.00 O ATOM 1272 CB GLU A 140 -0.740 2.751 -9.755 1.00 0.00 C ATOM 1273 CG GLU A 140 0.331 3.504 -8.980 1.00 0.00 C ATOM 1274 CD GLU A 140 -0.297 4.635 -8.171 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -1.353 4.411 -7.605 1.00 0.00 O ATOM 1276 OE2 GLU A 140 0.279 5.708 -8.134 1.00 0.00 O ATOM 0 H GLU A 140 -1.814 1.529 -11.593 1.00 0.00 H new ATOM 0 HA GLU A 140 0.884 1.671 -10.687 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.141 3.381 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.572 2.500 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.856 2.820 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 140 1.072 3.909 -9.670 1.00 0.00 H new ATOM 1283 N PHE A 141 -1.237 -0.270 -9.069 1.00 0.00 N ATOM 1284 CA PHE A 141 -1.315 -1.330 -8.073 1.00 0.00 C ATOM 1285 C PHE A 141 -0.350 -2.458 -8.422 1.00 0.00 C ATOM 1286 O PHE A 141 0.406 -2.925 -7.569 1.00 0.00 O ATOM 1287 CB PHE A 141 -2.746 -1.876 -8.009 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.794 -3.062 -7.072 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.550 -2.883 -5.705 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -3.080 -4.340 -7.570 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.591 -3.982 -4.838 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -3.120 -5.437 -6.705 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.876 -5.260 -5.338 1.00 0.00 C ATOM 0 H PHE A 141 -2.110 -0.082 -9.562 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.039 -0.919 -7.102 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.428 -1.099 -7.664 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.078 -2.172 -9.004 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.330 -1.898 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -3.270 -4.478 -8.624 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.403 -3.845 -3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.339 -6.421 -7.091 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.907 -6.107 -4.669 1.00 0.00 H new ATOM 1303 N VAL A 142 -0.395 -2.906 -9.672 1.00 0.00 N ATOM 1304 CA VAL A 142 0.467 -3.999 -10.105 1.00 0.00 C ATOM 1305 C VAL A 142 1.932 -3.632 -9.887 1.00 0.00 C ATOM 1306 O VAL A 142 2.695 -4.417 -9.327 1.00 0.00 O ATOM 1307 CB VAL A 142 0.234 -4.280 -11.593 1.00 0.00 C ATOM 1308 CG1 VAL A 142 1.273 -5.286 -12.097 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -1.170 -4.859 -11.789 1.00 0.00 C ATOM 0 H VAL A 142 -1.011 -2.535 -10.395 1.00 0.00 H new ATOM 0 HA VAL A 142 0.228 -4.887 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 142 0.328 -3.350 -12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.104 -5.484 -13.156 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.273 -4.876 -11.959 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.182 -6.216 -11.535 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.337 -5.059 -12.847 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.263 -5.787 -11.225 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.912 -4.143 -11.434 1.00 0.00 H new ATOM 1319 N GLN A 143 2.312 -2.434 -10.316 1.00 0.00 N ATOM 1320 CA GLN A 143 3.688 -1.978 -10.148 1.00 0.00 C ATOM 1321 C GLN A 143 4.018 -1.809 -8.667 1.00 0.00 C ATOM 1322 O GLN A 143 5.075 -2.237 -8.204 1.00 0.00 O ATOM 1323 CB GLN A 143 3.885 -0.646 -10.873 1.00 0.00 C ATOM 1324 CG GLN A 143 5.352 -0.229 -10.783 1.00 0.00 C ATOM 1325 CD GLN A 143 5.594 1.013 -11.634 1.00 0.00 C ATOM 1326 OE1 GLN A 143 4.648 1.710 -12.000 1.00 0.00 O ATOM 1327 NE2 GLN A 143 6.813 1.333 -11.974 1.00 0.00 N ATOM 0 H GLN A 143 1.695 -1.766 -10.778 1.00 0.00 H new ATOM 0 HA GLN A 143 4.357 -2.726 -10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.586 -0.740 -11.917 1.00 0.00 H new ATOM 0 HB3 GLN A 143 3.250 0.120 -10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.618 -0.027 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.992 -1.043 -11.123 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.596 0.754 -11.670 1.00 0.00 H new ATOM 0 HE22 GLN A 143 6.983 2.162 -12.544 1.00 0.00 H new ATOM 1336 N MET A 144 3.105 -1.186 -7.930 1.00 0.00 N ATOM 1337 CA MET A 144 3.307 -0.968 -6.503 1.00 0.00 C ATOM 1338 C MET A 144 3.425 -2.302 -5.773 1.00 0.00 C ATOM 1339 O MET A 144 4.160 -2.421 -4.792 1.00 0.00 O ATOM 1340 CB MET A 144 2.138 -0.169 -5.923 1.00 0.00 C ATOM 1341 CG MET A 144 2.422 0.166 -4.456 1.00 0.00 C ATOM 1342 SD MET A 144 0.989 1.010 -3.742 1.00 0.00 S ATOM 1343 CE MET A 144 1.492 2.698 -4.150 1.00 0.00 C ATOM 0 H MET A 144 2.223 -0.825 -8.294 1.00 0.00 H new ATOM 0 HA MET A 144 4.231 -0.406 -6.367 1.00 0.00 H new ATOM 0 HB2 MET A 144 1.992 0.748 -6.494 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.216 -0.745 -6.003 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.636 -0.746 -3.898 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.306 0.800 -4.381 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.737 3.399 -3.794 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.446 2.919 -3.672 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.597 2.795 -5.231 1.00 0.00 H new ATOM 1353 N MET A 145 2.694 -3.301 -6.257 1.00 0.00 N ATOM 1354 CA MET A 145 2.724 -4.624 -5.644 1.00 0.00 C ATOM 1355 C MET A 145 3.981 -5.380 -6.056 1.00 0.00 C ATOM 1356 O MET A 145 4.548 -6.141 -5.271 1.00 0.00 O ATOM 1357 CB MET A 145 1.484 -5.418 -6.052 1.00 0.00 C ATOM 1358 CG MET A 145 1.418 -6.709 -5.239 1.00 0.00 C ATOM 1359 SD MET A 145 -0.214 -7.465 -5.447 1.00 0.00 S ATOM 1360 CE MET A 145 -0.610 -7.663 -3.691 1.00 0.00 C ATOM 0 H MET A 145 2.078 -3.221 -7.066 1.00 0.00 H new ATOM 0 HA MET A 145 2.732 -4.501 -4.561 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.586 -4.823 -5.884 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.520 -5.647 -7.117 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.195 -7.399 -5.567 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.602 -6.499 -4.186 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.594 -8.121 -3.589 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.137 -8.301 -3.219 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.612 -6.687 -3.206 1.00 0.00 H new ATOM 1370 N THR A 146 4.412 -5.171 -7.297 1.00 0.00 N ATOM 1371 CA THR A 146 5.605 -5.839 -7.806 1.00 0.00 C ATOM 1372 C THR A 146 6.857 -5.047 -7.453 1.00 0.00 C ATOM 1373 O THR A 146 7.972 -5.555 -7.555 1.00 0.00 O ATOM 1374 CB THR A 146 5.502 -5.994 -9.328 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.952 -4.817 -9.886 1.00 0.00 O ATOM 1376 CG2 THR A 146 4.612 -7.190 -9.672 1.00 0.00 C ATOM 0 H THR A 146 3.956 -4.549 -7.964 1.00 0.00 H new ATOM 0 HA THR A 146 5.676 -6.823 -7.343 1.00 0.00 H new ATOM 0 HB THR A 146 6.498 -6.161 -9.739 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.974 -4.860 -9.841 1.00 0.00 H new ATOM 0 HG21 THR A 146 4.544 -7.293 -10.755 1.00 0.00 H new ATOM 0 HG22 THR A 146 5.042 -8.097 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 146 3.616 -7.033 -9.259 1.00 0.00 H new