USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=9 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+ 152:sc= -0.26 (180deg=-1.49!) USER MOD Single : A 97 ASN : amide:sc= -0.141 K(o=-0.14,f=-12!) 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 107 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=-0.039) USER MOD Single : A 109 MET CE :methyl 166:sc= 0 (180deg=-0.0746) USER MOD Single : A 110 THR OG1 : rot 1:sc= -0.709 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 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=-0.32) USER MOD Single : A 137 ASN : amide:sc= -1.54! C(o=-1.5!,f=-2.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 144 MET CE :methyl 141:sc= -1.06 (180deg=-3.54!) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot -92:sc= -0.0419 USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 3.275 -14.443 -6.497 1.00 0.00 N ATOM 382 CA GLU A 82 2.355 -13.531 -7.164 1.00 0.00 C ATOM 383 C GLU A 82 0.910 -13.906 -6.847 1.00 0.00 C ATOM 384 O GLU A 82 0.037 -13.044 -6.777 1.00 0.00 O ATOM 385 CB GLU A 82 2.578 -13.575 -8.678 1.00 0.00 C ATOM 386 CG GLU A 82 1.822 -12.421 -9.342 1.00 0.00 C ATOM 387 CD GLU A 82 0.328 -12.723 -9.375 1.00 0.00 C ATOM 388 OE1 GLU A 82 -0.017 -13.885 -9.525 1.00 0.00 O ATOM 389 OE2 GLU A 82 -0.448 -11.794 -9.237 1.00 0.00 O ATOM 0 HA GLU A 82 2.545 -12.521 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.642 -13.502 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.233 -14.528 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.002 -11.496 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.193 -12.269 -10.356 1.00 0.00 H new ATOM 396 N GLU A 83 0.665 -15.195 -6.666 1.00 0.00 N ATOM 397 CA GLU A 83 -0.679 -15.673 -6.363 1.00 0.00 C ATOM 398 C GLU A 83 -1.196 -15.037 -5.077 1.00 0.00 C ATOM 399 O GLU A 83 -2.387 -14.758 -4.946 1.00 0.00 O ATOM 400 CB GLU A 83 -0.670 -17.197 -6.214 1.00 0.00 C ATOM 401 CG GLU A 83 0.223 -17.590 -5.036 1.00 0.00 C ATOM 402 CD GLU A 83 0.341 -19.108 -4.957 1.00 0.00 C ATOM 403 OE1 GLU A 83 1.013 -19.675 -5.802 1.00 0.00 O ATOM 404 OE2 GLU A 83 -0.241 -19.681 -4.050 1.00 0.00 O ATOM 0 H GLU A 83 1.374 -15.927 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.338 -15.392 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.684 -17.563 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.305 -17.660 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.211 -17.146 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.193 -17.200 -4.107 1.00 0.00 H new ATOM 411 N GLU A 84 -0.292 -14.812 -4.130 1.00 0.00 N ATOM 412 CA GLU A 84 -0.666 -14.207 -2.859 1.00 0.00 C ATOM 413 C GLU A 84 -1.110 -12.762 -3.056 1.00 0.00 C ATOM 414 O GLU A 84 -1.995 -12.273 -2.354 1.00 0.00 O ATOM 415 CB GLU A 84 0.515 -14.252 -1.886 1.00 0.00 C ATOM 416 CG GLU A 84 0.745 -15.693 -1.425 1.00 0.00 C ATOM 417 CD GLU A 84 1.937 -15.752 -0.476 1.00 0.00 C ATOM 418 OE1 GLU A 84 2.546 -14.717 -0.255 1.00 0.00 O ATOM 419 OE2 GLU A 84 2.225 -16.831 0.016 1.00 0.00 O ATOM 0 H GLU A 84 0.699 -15.038 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.499 -14.776 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.413 -13.866 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.316 -13.612 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.147 -16.071 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.924 -16.335 -2.287 1.00 0.00 H new ATOM 426 N ILE A 85 -0.489 -12.085 -4.013 1.00 0.00 N ATOM 427 CA ILE A 85 -0.822 -10.695 -4.290 1.00 0.00 C ATOM 428 C ILE A 85 -2.274 -10.572 -4.741 1.00 0.00 C ATOM 429 O ILE A 85 -2.987 -9.660 -4.320 1.00 0.00 O ATOM 430 CB ILE A 85 0.101 -10.140 -5.376 1.00 0.00 C ATOM 431 CG1 ILE A 85 1.532 -10.054 -4.834 1.00 0.00 C ATOM 432 CG2 ILE A 85 -0.368 -8.744 -5.790 1.00 0.00 C ATOM 433 CD1 ILE A 85 2.494 -9.697 -5.972 1.00 0.00 C ATOM 0 H ILE A 85 0.244 -12.473 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.687 -10.120 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 85 0.075 -10.801 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.589 -9.302 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.820 -11.005 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.293 -8.353 -6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.385 -8.802 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.346 -8.081 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.511 -9.637 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.446 -10.465 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.211 -8.735 -6.399 1.00 0.00 H new ATOM 445 N ARG A 86 -2.699 -11.485 -5.603 1.00 0.00 N ATOM 446 CA ARG A 86 -4.064 -11.457 -6.114 1.00 0.00 C ATOM 447 C ARG A 86 -5.065 -11.505 -4.963 1.00 0.00 C ATOM 448 O ARG A 86 -6.045 -10.760 -4.952 1.00 0.00 O ATOM 449 CB ARG A 86 -4.297 -12.656 -7.040 1.00 0.00 C ATOM 450 CG ARG A 86 -5.695 -12.564 -7.654 1.00 0.00 C ATOM 451 CD ARG A 86 -5.923 -13.754 -8.587 1.00 0.00 C ATOM 452 NE ARG A 86 -5.920 -14.998 -7.827 1.00 0.00 N ATOM 453 CZ ARG A 86 -6.018 -16.176 -8.435 1.00 0.00 C ATOM 454 NH1 ARG A 86 -6.228 -16.229 -9.722 1.00 0.00 N ATOM 455 NH2 ARG A 86 -5.905 -17.277 -7.745 1.00 0.00 N ATOM 0 H ARG A 86 -2.125 -12.248 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.207 -10.531 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.543 -12.673 -7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.195 -13.586 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.449 -12.556 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.800 -11.630 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.874 -13.640 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.144 -13.783 -9.349 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.841 -14.964 -6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.317 -15.367 -10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.303 -17.132 -10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.741 -17.234 -6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.980 -18.181 -8.211 1.00 0.00 H new ATOM 469 N GLU A 87 -4.811 -12.379 -3.997 1.00 0.00 N ATOM 470 CA GLU A 87 -5.693 -12.509 -2.844 1.00 0.00 C ATOM 471 C GLU A 87 -5.638 -11.250 -1.983 1.00 0.00 C ATOM 472 O GLU A 87 -6.646 -10.828 -1.416 1.00 0.00 O ATOM 473 CB GLU A 87 -5.287 -13.721 -2.005 1.00 0.00 C ATOM 474 CG GLU A 87 -5.580 -15.004 -2.787 1.00 0.00 C ATOM 475 CD GLU A 87 -5.105 -16.216 -1.994 1.00 0.00 C ATOM 476 OE1 GLU A 87 -4.592 -16.024 -0.905 1.00 0.00 O ATOM 477 OE2 GLU A 87 -5.262 -17.320 -2.489 1.00 0.00 O ATOM 0 H GLU A 87 -4.006 -13.005 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.712 -12.645 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.227 -13.667 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.834 -13.724 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.649 -15.084 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.079 -14.973 -3.755 1.00 0.00 H new ATOM 484 N ALA A 88 -4.453 -10.658 -1.886 1.00 0.00 N ATOM 485 CA ALA A 88 -4.277 -9.453 -1.083 1.00 0.00 C ATOM 486 C ALA A 88 -5.208 -8.346 -1.565 1.00 0.00 C ATOM 487 O ALA A 88 -5.842 -7.664 -0.760 1.00 0.00 O ATOM 488 CB ALA A 88 -2.824 -8.974 -1.175 1.00 0.00 C ATOM 0 H ALA A 88 -3.606 -10.989 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.519 -9.691 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.699 -8.074 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.160 -9.754 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.579 -8.753 -2.214 1.00 0.00 H new ATOM 494 N PHE A 89 -5.287 -8.176 -2.879 1.00 0.00 N ATOM 495 CA PHE A 89 -6.146 -7.149 -3.456 1.00 0.00 C ATOM 496 C PHE A 89 -7.603 -7.397 -3.078 1.00 0.00 C ATOM 497 O PHE A 89 -8.324 -6.472 -2.702 1.00 0.00 O ATOM 498 CB PHE A 89 -6.006 -7.144 -4.979 1.00 0.00 C ATOM 499 CG PHE A 89 -6.760 -5.968 -5.550 1.00 0.00 C ATOM 500 CD1 PHE A 89 -8.147 -6.042 -5.722 1.00 0.00 C ATOM 501 CD2 PHE A 89 -6.071 -4.802 -5.910 1.00 0.00 C ATOM 502 CE1 PHE A 89 -8.845 -4.952 -6.252 1.00 0.00 C ATOM 503 CE2 PHE A 89 -6.770 -3.712 -6.441 1.00 0.00 C ATOM 504 CZ PHE A 89 -8.158 -3.786 -6.612 1.00 0.00 C ATOM 0 H PHE A 89 -4.771 -8.731 -3.561 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.838 -6.181 -3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.954 -7.085 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.394 -8.074 -5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.678 -6.941 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.001 -4.745 -5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.915 -5.010 -6.384 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.239 -2.814 -6.719 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.698 -2.945 -7.021 1.00 0.00 H new ATOM 514 N ARG A 90 -8.032 -8.651 -3.184 1.00 0.00 N ATOM 515 CA ARG A 90 -9.405 -9.004 -2.859 1.00 0.00 C ATOM 516 C ARG A 90 -9.724 -8.635 -1.411 1.00 0.00 C ATOM 517 O ARG A 90 -10.773 -8.058 -1.125 1.00 0.00 O ATOM 518 CB ARG A 90 -9.619 -10.507 -3.060 1.00 0.00 C ATOM 519 CG ARG A 90 -11.121 -10.821 -3.026 1.00 0.00 C ATOM 520 CD ARG A 90 -11.701 -10.706 -4.439 1.00 0.00 C ATOM 521 NE ARG A 90 -13.143 -10.902 -4.412 1.00 0.00 N ATOM 522 CZ ARG A 90 -13.976 -9.869 -4.323 1.00 0.00 C ATOM 523 NH1 ARG A 90 -13.685 -8.746 -4.923 1.00 0.00 N ATOM 524 NH2 ARG A 90 -15.079 -9.976 -3.638 1.00 0.00 N ATOM 0 H ARG A 90 -7.452 -9.432 -3.490 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.070 -8.449 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.193 -10.821 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.102 -11.066 -2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.284 -11.825 -2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.632 -10.131 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.468 -9.726 -4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.239 -11.448 -5.090 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.521 -11.848 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.821 -8.663 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.322 -7.952 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.305 -10.853 -3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.717 -9.183 -3.571 1.00 0.00 H new ATOM 538 N VAL A 91 -8.816 -8.971 -0.506 1.00 0.00 N ATOM 539 CA VAL A 91 -9.002 -8.666 0.907 1.00 0.00 C ATOM 540 C VAL A 91 -8.996 -7.155 1.128 1.00 0.00 C ATOM 541 O VAL A 91 -9.784 -6.627 1.914 1.00 0.00 O ATOM 542 CB VAL A 91 -7.897 -9.314 1.738 1.00 0.00 C ATOM 543 CG1 VAL A 91 -8.050 -8.902 3.204 1.00 0.00 C ATOM 544 CG2 VAL A 91 -8.002 -10.836 1.623 1.00 0.00 C ATOM 0 H VAL A 91 -7.944 -9.454 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.965 -9.067 1.223 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.925 -8.986 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.261 -9.365 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.977 -7.818 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.021 -9.230 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.214 -11.301 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.974 -11.163 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.893 -11.130 0.579 1.00 0.00 H new ATOM 554 N GLU A 92 -8.091 -6.466 0.440 1.00 0.00 N ATOM 555 CA GLU A 92 -7.980 -5.019 0.579 1.00 0.00 C ATOM 556 C GLU A 92 -9.161 -4.328 -0.090 1.00 0.00 C ATOM 557 O GLU A 92 -9.559 -3.232 0.310 1.00 0.00 O ATOM 558 CB GLU A 92 -6.676 -4.532 -0.059 1.00 0.00 C ATOM 559 CG GLU A 92 -6.501 -3.037 0.212 1.00 0.00 C ATOM 560 CD GLU A 92 -5.195 -2.545 -0.399 1.00 0.00 C ATOM 561 OE1 GLU A 92 -4.626 -3.272 -1.197 1.00 0.00 O ATOM 562 OE2 GLU A 92 -4.781 -1.447 -0.060 1.00 0.00 O ATOM 0 H GLU A 92 -7.429 -6.883 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.980 -4.773 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.831 -5.087 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.693 -4.718 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.340 -2.482 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.502 -2.851 1.286 1.00 0.00 H new ATOM 569 N ASP A 93 -9.720 -4.972 -1.111 1.00 0.00 N ATOM 570 CA ASP A 93 -10.857 -4.402 -1.827 1.00 0.00 C ATOM 571 C ASP A 93 -12.166 -4.770 -1.132 1.00 0.00 C ATOM 572 O ASP A 93 -12.905 -5.637 -1.596 1.00 0.00 O ATOM 573 CB ASP A 93 -10.879 -4.925 -3.265 1.00 0.00 C ATOM 574 CG ASP A 93 -11.793 -4.056 -4.122 1.00 0.00 C ATOM 575 OD1 ASP A 93 -12.384 -3.136 -3.578 1.00 0.00 O ATOM 576 OD2 ASP A 93 -11.886 -4.318 -5.309 1.00 0.00 O ATOM 0 H ASP A 93 -9.408 -5.879 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.754 -3.317 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.870 -4.923 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.227 -5.958 -3.280 1.00 0.00 H new ATOM 581 N LYS A 94 -12.445 -4.100 -0.019 1.00 0.00 N ATOM 582 CA LYS A 94 -13.668 -4.361 0.732 1.00 0.00 C ATOM 583 C LYS A 94 -14.893 -4.084 -0.131 1.00 0.00 C ATOM 584 O LYS A 94 -15.867 -4.838 -0.103 1.00 0.00 O ATOM 585 CB LYS A 94 -13.712 -3.485 1.980 1.00 0.00 C ATOM 586 CG LYS A 94 -12.632 -3.940 2.965 1.00 0.00 C ATOM 587 CD LYS A 94 -12.603 -2.993 4.172 1.00 0.00 C ATOM 588 CE LYS A 94 -13.669 -3.418 5.185 1.00 0.00 C ATOM 589 NZ LYS A 94 -13.410 -4.822 5.615 1.00 0.00 N ATOM 0 H LYS A 94 -11.846 -3.378 0.381 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.674 -5.410 1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.555 -2.441 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.695 -3.549 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.833 -4.959 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.659 -3.950 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.617 -3.011 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.784 -1.968 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.652 -2.753 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.661 -3.339 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.776 -4.963 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.886 -5.478 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.386 -5.005 5.604 1.00 0.00 H new ATOM 603 N ASP A 95 -14.841 -2.998 -0.895 1.00 0.00 N ATOM 604 CA ASP A 95 -15.961 -2.628 -1.752 1.00 0.00 C ATOM 605 C ASP A 95 -15.961 -3.478 -3.020 1.00 0.00 C ATOM 606 O ASP A 95 -16.848 -3.352 -3.864 1.00 0.00 O ATOM 607 CB ASP A 95 -15.855 -1.149 -2.135 1.00 0.00 C ATOM 608 CG ASP A 95 -15.577 -0.309 -0.894 1.00 0.00 C ATOM 609 OD1 ASP A 95 -16.479 -0.159 -0.087 1.00 0.00 O ATOM 610 OD2 ASP A 95 -14.459 0.169 -0.768 1.00 0.00 O ATOM 0 H ASP A 95 -14.043 -2.364 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.889 -2.800 -1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -15.057 -1.010 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.780 -0.820 -2.608 1.00 0.00 H new ATOM 615 N GLY A 96 -14.963 -4.347 -3.145 1.00 0.00 N ATOM 616 CA GLY A 96 -14.863 -5.219 -4.310 1.00 0.00 C ATOM 617 C GLY A 96 -15.172 -4.454 -5.592 1.00 0.00 C ATOM 618 O GLY A 96 -15.494 -5.048 -6.619 1.00 0.00 O ATOM 0 H GLY A 96 -14.217 -4.466 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -13.860 -5.642 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.556 -6.054 -4.204 1.00 0.00 H new ATOM 622 N ASN A 97 -15.068 -3.131 -5.522 1.00 0.00 N ATOM 623 CA ASN A 97 -15.337 -2.291 -6.684 1.00 0.00 C ATOM 624 C ASN A 97 -14.183 -2.368 -7.677 1.00 0.00 C ATOM 625 O ASN A 97 -14.285 -1.880 -8.803 1.00 0.00 O ATOM 626 CB ASN A 97 -15.539 -0.840 -6.245 1.00 0.00 C ATOM 627 CG ASN A 97 -14.358 -0.383 -5.396 1.00 0.00 C ATOM 628 OD1 ASN A 97 -13.440 -1.161 -5.138 1.00 0.00 O ATOM 629 ND2 ASN A 97 -14.326 0.841 -4.945 1.00 0.00 N ATOM 0 H ASN A 97 -14.802 -2.620 -4.680 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.244 -2.652 -7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.639 -0.197 -7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.464 -0.749 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.539 1.155 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.088 1.484 -5.160 1.00 0.00 H new ATOM 636 N GLY A 98 -13.084 -2.985 -7.253 1.00 0.00 N ATOM 637 CA GLY A 98 -11.913 -3.122 -8.115 1.00 0.00 C ATOM 638 C GLY A 98 -10.989 -1.924 -7.965 1.00 0.00 C ATOM 639 O GLY A 98 -10.059 -1.739 -8.753 1.00 0.00 O ATOM 0 H GLY A 98 -12.979 -3.395 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.375 -4.036 -7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.229 -3.215 -9.154 1.00 0.00 H new ATOM 643 N TYR A 99 -11.242 -1.105 -6.946 1.00 0.00 N ATOM 644 CA TYR A 99 -10.421 0.076 -6.700 1.00 0.00 C ATOM 645 C TYR A 99 -10.066 0.183 -5.227 1.00 0.00 C ATOM 646 O TYR A 99 -10.880 -0.131 -4.352 1.00 0.00 O ATOM 647 CB TYR A 99 -11.174 1.334 -7.138 1.00 0.00 C ATOM 648 CG TYR A 99 -11.469 1.255 -8.616 1.00 0.00 C ATOM 649 CD1 TYR A 99 -10.486 1.612 -9.546 1.00 0.00 C ATOM 650 CD2 TYR A 99 -12.726 0.826 -9.058 1.00 0.00 C ATOM 651 CE1 TYR A 99 -10.759 1.539 -10.918 1.00 0.00 C ATOM 652 CE2 TYR A 99 -13.000 0.753 -10.429 1.00 0.00 C ATOM 653 CZ TYR A 99 -12.016 1.109 -11.358 1.00 0.00 C ATOM 654 OH TYR A 99 -12.285 1.037 -12.711 1.00 0.00 O ATOM 0 H TYR A 99 -12.005 -1.237 -6.282 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.501 -0.017 -7.277 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.103 1.429 -6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -10.578 2.221 -6.922 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -9.516 1.944 -9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -13.485 0.551 -8.341 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.000 1.814 -11.636 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.970 0.422 -10.769 1.00 0.00 H new ATOM 0 HH TYR A 99 -13.202 0.719 -12.846 1.00 0.00 H new ATOM 664 N ILE A 100 -8.842 0.631 -4.945 1.00 0.00 N ATOM 665 CA ILE A 100 -8.390 0.777 -3.562 1.00 0.00 C ATOM 666 C ILE A 100 -8.379 2.248 -3.166 1.00 0.00 C ATOM 667 O ILE A 100 -7.629 3.051 -3.724 1.00 0.00 O ATOM 668 CB ILE A 100 -6.985 0.196 -3.411 1.00 0.00 C ATOM 669 CG1 ILE A 100 -6.999 -1.277 -3.827 1.00 0.00 C ATOM 670 CG2 ILE A 100 -6.544 0.306 -1.951 1.00 0.00 C ATOM 671 CD1 ILE A 100 -5.565 -1.804 -3.888 1.00 0.00 C ATOM 0 H ILE A 100 -8.152 0.896 -5.648 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.077 0.237 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.291 0.749 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.582 -1.861 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.480 -1.387 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.542 -0.108 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.539 1.354 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.237 -0.249 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.575 -2.853 -4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.996 -1.227 -4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.100 -1.709 -2.907 1.00 0.00 H new ATOM 683 N SER A 101 -9.213 2.599 -2.192 1.00 0.00 N ATOM 684 CA SER A 101 -9.295 3.981 -1.722 1.00 0.00 C ATOM 685 C SER A 101 -8.377 4.198 -0.526 1.00 0.00 C ATOM 686 O SER A 101 -7.693 3.275 -0.081 1.00 0.00 O ATOM 687 CB SER A 101 -10.735 4.314 -1.331 1.00 0.00 C ATOM 688 OG SER A 101 -11.541 4.361 -2.501 1.00 0.00 O ATOM 0 H SER A 101 -9.839 1.951 -1.714 1.00 0.00 H new ATOM 0 HA SER A 101 -8.977 4.639 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.119 3.563 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.771 5.272 -0.812 1.00 0.00 H new ATOM 0 HG SER A 101 -12.465 4.573 -2.253 1.00 0.00 H new ATOM 694 N ALA A 102 -8.364 5.423 -0.011 1.00 0.00 N ATOM 695 CA ALA A 102 -7.523 5.750 1.137 1.00 0.00 C ATOM 696 C ALA A 102 -7.912 4.899 2.342 1.00 0.00 C ATOM 697 O ALA A 102 -7.050 4.361 3.036 1.00 0.00 O ATOM 698 CB ALA A 102 -7.668 7.232 1.483 1.00 0.00 C ATOM 0 H ALA A 102 -8.921 6.200 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.485 5.540 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.038 7.469 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.362 7.837 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.708 7.449 1.726 1.00 0.00 H new ATOM 704 N ALA A 103 -9.215 4.788 2.588 1.00 0.00 N ATOM 705 CA ALA A 103 -9.706 4.003 3.719 1.00 0.00 C ATOM 706 C ALA A 103 -9.141 2.587 3.663 1.00 0.00 C ATOM 707 O ALA A 103 -8.626 2.077 4.658 1.00 0.00 O ATOM 708 CB ALA A 103 -11.232 3.950 3.689 1.00 0.00 C ATOM 0 H ALA A 103 -9.944 5.227 2.026 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.379 4.478 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.592 3.364 4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.633 4.962 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.562 3.487 2.759 1.00 0.00 H new ATOM 714 N GLU A 104 -9.232 1.963 2.494 1.00 0.00 N ATOM 715 CA GLU A 104 -8.714 0.610 2.316 1.00 0.00 C ATOM 716 C GLU A 104 -7.187 0.611 2.405 1.00 0.00 C ATOM 717 O GLU A 104 -6.585 -0.328 2.920 1.00 0.00 O ATOM 718 CB GLU A 104 -9.149 0.056 0.961 1.00 0.00 C ATOM 719 CG GLU A 104 -10.673 -0.044 0.918 1.00 0.00 C ATOM 720 CD GLU A 104 -11.127 -0.474 -0.472 1.00 0.00 C ATOM 721 OE1 GLU A 104 -10.924 0.288 -1.402 1.00 0.00 O ATOM 722 OE2 GLU A 104 -11.674 -1.559 -0.586 1.00 0.00 O ATOM 0 H GLU A 104 -9.657 2.368 1.660 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.116 -0.022 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.794 0.704 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.705 -0.926 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.020 -0.762 1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.116 0.919 1.173 1.00 0.00 H new ATOM 729 N LEU A 105 -6.571 1.668 1.898 1.00 0.00 N ATOM 730 CA LEU A 105 -5.124 1.790 1.925 1.00 0.00 C ATOM 731 C LEU A 105 -4.623 1.928 3.361 1.00 0.00 C ATOM 732 O LEU A 105 -3.501 1.531 3.684 1.00 0.00 O ATOM 733 CB LEU A 105 -4.675 3.006 1.111 1.00 0.00 C ATOM 734 CG LEU A 105 -3.157 2.961 0.909 1.00 0.00 C ATOM 735 CD1 LEU A 105 -2.810 1.934 -0.175 1.00 0.00 C ATOM 736 CD2 LEU A 105 -2.657 4.343 0.481 1.00 0.00 C ATOM 0 H LEU A 105 -7.053 2.454 1.462 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.701 0.887 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.180 3.015 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.956 3.924 1.626 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.678 2.674 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.730 1.905 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.163 0.949 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.291 2.217 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.577 4.311 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.139 4.631 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.899 5.073 1.254 1.00 0.00 H new ATOM 748 N ARG A 106 -5.456 2.506 4.216 1.00 0.00 N ATOM 749 CA ARG A 106 -5.086 2.708 5.607 1.00 0.00 C ATOM 750 C ARG A 106 -5.019 1.371 6.355 1.00 0.00 C ATOM 751 O ARG A 106 -4.106 1.140 7.146 1.00 0.00 O ATOM 752 CB ARG A 106 -6.102 3.624 6.294 1.00 0.00 C ATOM 753 CG ARG A 106 -5.514 4.153 7.612 1.00 0.00 C ATOM 754 CD ARG A 106 -6.626 4.288 8.653 1.00 0.00 C ATOM 755 NE ARG A 106 -7.670 5.181 8.163 1.00 0.00 N ATOM 756 CZ ARG A 106 -8.854 5.245 8.763 1.00 0.00 C ATOM 757 NH1 ARG A 106 -8.987 4.823 9.990 1.00 0.00 N ATOM 758 NH2 ARG A 106 -9.884 5.729 8.123 1.00 0.00 N ATOM 0 H ARG A 106 -6.388 2.841 3.971 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.100 3.173 5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.357 4.457 5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.025 3.078 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.742 3.475 7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.037 5.119 7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.049 3.308 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.216 4.674 9.586 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.488 5.766 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.182 4.444 10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.896 4.872 10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.780 6.058 7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.793 5.778 8.583 1.00 0.00 H new ATOM 772 N HIS A 107 -5.997 0.506 6.097 1.00 0.00 N ATOM 773 CA HIS A 107 -6.042 -0.794 6.751 1.00 0.00 C ATOM 774 C HIS A 107 -4.742 -1.553 6.504 1.00 0.00 C ATOM 775 O HIS A 107 -4.206 -2.193 7.409 1.00 0.00 O ATOM 776 CB HIS A 107 -7.223 -1.603 6.216 1.00 0.00 C ATOM 777 CG HIS A 107 -8.498 -1.119 6.851 1.00 0.00 C ATOM 778 ND1 HIS A 107 -8.821 -1.414 8.166 1.00 0.00 N ATOM 779 CD2 HIS A 107 -9.532 -0.359 6.371 1.00 0.00 C ATOM 780 CE1 HIS A 107 -10.008 -0.839 8.430 1.00 0.00 C ATOM 781 NE2 HIS A 107 -10.487 -0.184 7.368 1.00 0.00 N ATOM 0 H HIS A 107 -6.762 0.682 5.445 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.165 -0.644 7.824 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -7.284 -1.502 5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.078 -2.662 6.430 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.596 0.043 5.371 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.512 -0.899 9.383 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.364 0.333 7.302 1.00 0.00 H new ATOM 789 N VAL A 108 -4.245 -1.485 5.276 1.00 0.00 N ATOM 790 CA VAL A 108 -3.009 -2.174 4.927 1.00 0.00 C ATOM 791 C VAL A 108 -1.840 -1.625 5.741 1.00 0.00 C ATOM 792 O VAL A 108 -1.033 -2.386 6.274 1.00 0.00 O ATOM 793 CB VAL A 108 -2.719 -1.999 3.433 1.00 0.00 C ATOM 794 CG1 VAL A 108 -1.341 -2.581 3.105 1.00 0.00 C ATOM 795 CG2 VAL A 108 -3.787 -2.730 2.618 1.00 0.00 C ATOM 0 H VAL A 108 -4.674 -0.965 4.511 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.129 -3.233 5.154 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.732 -0.938 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.137 -2.455 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.579 -2.061 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.325 -3.642 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.582 -2.606 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.774 -3.791 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.768 -2.315 2.849 1.00 0.00 H new ATOM 805 N MET A 109 -1.757 -0.302 5.828 1.00 0.00 N ATOM 806 CA MET A 109 -0.680 0.336 6.578 1.00 0.00 C ATOM 807 C MET A 109 -0.775 -0.018 8.057 1.00 0.00 C ATOM 808 O MET A 109 0.239 -0.267 8.711 1.00 0.00 O ATOM 809 CB MET A 109 -0.755 1.855 6.405 1.00 0.00 C ATOM 810 CG MET A 109 -0.262 2.237 5.008 1.00 0.00 C ATOM 811 SD MET A 109 -0.315 4.037 4.820 1.00 0.00 S ATOM 812 CE MET A 109 0.053 4.091 3.050 1.00 0.00 C ATOM 0 H MET A 109 -2.415 0.345 5.393 1.00 0.00 H new ATOM 0 HA MET A 109 0.273 -0.026 6.192 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.780 2.197 6.546 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.147 2.348 7.164 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.755 1.875 4.858 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.884 1.763 4.249 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.171 5.085 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.108 3.869 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.556 3.352 2.529 1.00 0.00 H new ATOM 822 N THR A 110 -1.997 -0.037 8.581 1.00 0.00 N ATOM 823 CA THR A 110 -2.210 -0.359 9.986 1.00 0.00 C ATOM 824 C THR A 110 -1.737 -1.778 10.286 1.00 0.00 C ATOM 825 O THR A 110 -1.126 -2.032 11.324 1.00 0.00 O ATOM 826 CB THR A 110 -3.695 -0.231 10.330 1.00 0.00 C ATOM 827 OG1 THR A 110 -4.463 -0.957 9.385 1.00 0.00 O ATOM 828 CG2 THR A 110 -4.103 1.241 10.300 1.00 0.00 C ATOM 0 H THR A 110 -2.849 0.165 8.057 1.00 0.00 H new ATOM 0 HA THR A 110 -1.635 0.340 10.593 1.00 0.00 H new ATOM 0 HB THR A 110 -3.872 -0.634 11.327 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.865 -1.381 8.735 1.00 0.00 H new ATOM 0 HG21 THR A 110 -5.161 1.330 10.545 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.513 1.797 11.029 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.926 1.647 9.304 1.00 0.00 H new ATOM 836 N ASN A 111 -2.018 -2.697 9.368 1.00 0.00 N ATOM 837 CA ASN A 111 -1.611 -4.087 9.541 1.00 0.00 C ATOM 838 C ASN A 111 -0.089 -4.197 9.583 1.00 0.00 C ATOM 839 O ASN A 111 0.466 -4.978 10.356 1.00 0.00 O ATOM 840 CB ASN A 111 -2.155 -4.939 8.395 1.00 0.00 C ATOM 841 CG ASN A 111 -1.680 -6.380 8.545 1.00 0.00 C ATOM 842 OD1 ASN A 111 -1.552 -6.880 9.662 1.00 0.00 O ATOM 843 ND2 ASN A 111 -1.407 -7.081 7.479 1.00 0.00 N ATOM 0 H ASN A 111 -2.522 -2.507 8.502 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.017 -4.450 10.485 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.244 -4.905 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.820 -4.535 7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.087 -8.045 7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.514 -6.665 6.554 1.00 0.00 H new ATOM 850 N LEU A 112 0.579 -3.412 8.745 1.00 0.00 N ATOM 851 CA LEU A 112 2.036 -3.432 8.690 1.00 0.00 C ATOM 852 C LEU A 112 2.625 -2.690 9.882 1.00 0.00 C ATOM 853 O LEU A 112 3.833 -2.732 10.121 1.00 0.00 O ATOM 854 CB LEU A 112 2.517 -2.778 7.395 1.00 0.00 C ATOM 855 CG LEU A 112 2.001 -3.580 6.197 1.00 0.00 C ATOM 856 CD1 LEU A 112 2.344 -2.840 4.901 1.00 0.00 C ATOM 857 CD2 LEU A 112 2.655 -4.969 6.183 1.00 0.00 C ATOM 0 H LEU A 112 0.138 -2.758 8.098 1.00 0.00 H new ATOM 0 HA LEU A 112 2.368 -4.470 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.159 -1.750 7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.606 -2.738 7.378 1.00 0.00 H new ATOM 0 HG LEU A 112 0.920 -3.692 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.977 -3.411 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.875 -1.856 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.425 -2.726 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.285 -5.537 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.737 -4.861 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.408 -5.497 7.104 1.00 0.00 H new ATOM 869 N GLY A 113 1.764 -2.007 10.633 1.00 0.00 N ATOM 870 CA GLY A 113 2.211 -1.260 11.806 1.00 0.00 C ATOM 871 C GLY A 113 2.502 0.192 11.448 1.00 0.00 C ATOM 872 O GLY A 113 2.599 1.049 12.324 1.00 0.00 O ATOM 0 H GLY A 113 0.761 -1.955 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.446 -1.301 12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.107 -1.724 12.218 1.00 0.00 H new ATOM 876 N GLU A 114 2.641 0.460 10.153 1.00 0.00 N ATOM 877 CA GLU A 114 2.923 1.814 9.691 1.00 0.00 C ATOM 878 C GLU A 114 1.712 2.708 9.894 1.00 0.00 C ATOM 879 O GLU A 114 0.612 2.401 9.428 1.00 0.00 O ATOM 880 CB GLU A 114 3.297 1.790 8.207 1.00 0.00 C ATOM 881 CG GLU A 114 4.617 1.037 8.024 1.00 0.00 C ATOM 882 CD GLU A 114 5.757 1.815 8.672 1.00 0.00 C ATOM 883 OE1 GLU A 114 5.883 2.993 8.381 1.00 0.00 O ATOM 884 OE2 GLU A 114 6.487 1.223 9.449 1.00 0.00 O ATOM 0 H GLU A 114 2.564 -0.236 9.411 1.00 0.00 H new ATOM 0 HA GLU A 114 3.756 2.211 10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.508 1.307 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.391 2.808 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.544 0.045 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.820 0.895 6.962 1.00 0.00 H new ATOM 891 N LYS A 115 1.912 3.824 10.594 1.00 0.00 N ATOM 892 CA LYS A 115 0.822 4.761 10.853 1.00 0.00 C ATOM 893 C LYS A 115 1.164 6.137 10.304 1.00 0.00 C ATOM 894 O LYS A 115 2.075 6.808 10.795 1.00 0.00 O ATOM 895 CB LYS A 115 0.569 4.861 12.357 1.00 0.00 C ATOM 896 CG LYS A 115 -0.677 5.713 12.610 1.00 0.00 C ATOM 897 CD LYS A 115 -0.926 5.827 14.116 1.00 0.00 C ATOM 898 CE LYS A 115 -1.516 4.517 14.643 1.00 0.00 C ATOM 899 NZ LYS A 115 -2.074 4.737 16.005 1.00 0.00 N ATOM 0 H LYS A 115 2.811 4.099 10.989 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.076 4.394 10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 115 0.434 3.866 12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.432 5.304 12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.545 6.705 12.177 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.542 5.264 12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.007 6.050 14.633 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.608 6.652 14.320 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.297 4.161 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.747 3.746 14.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.475 3.847 16.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.317 5.058 16.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.820 5.460 15.962 1.00 0.00 H new ATOM 913 N LEU A 116 0.427 6.563 9.281 1.00 0.00 N ATOM 914 CA LEU A 116 0.661 7.869 8.667 1.00 0.00 C ATOM 915 C LEU A 116 -0.532 8.788 8.899 1.00 0.00 C ATOM 916 O LEU A 116 -1.622 8.333 9.244 1.00 0.00 O ATOM 917 CB LEU A 116 0.891 7.703 7.164 1.00 0.00 C ATOM 918 CG LEU A 116 2.005 6.679 6.928 1.00 0.00 C ATOM 919 CD1 LEU A 116 2.221 6.497 5.424 1.00 0.00 C ATOM 920 CD2 LEU A 116 3.304 7.169 7.578 1.00 0.00 C ATOM 0 H LEU A 116 -0.333 6.027 8.861 1.00 0.00 H new ATOM 0 HA LEU A 116 1.545 8.314 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.028 7.375 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.162 8.660 6.719 1.00 0.00 H new ATOM 0 HG LEU A 116 1.719 5.726 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.014 5.768 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.299 6.142 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.505 7.451 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.094 6.438 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.593 8.124 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.150 7.294 8.650 1.00 0.00 H new ATOM 932 N THR A 117 -0.318 10.087 8.709 1.00 0.00 N ATOM 933 CA THR A 117 -1.383 11.065 8.903 1.00 0.00 C ATOM 934 C THR A 117 -2.350 11.039 7.722 1.00 0.00 C ATOM 935 O THR A 117 -2.038 10.497 6.664 1.00 0.00 O ATOM 936 CB THR A 117 -0.788 12.464 9.049 1.00 0.00 C ATOM 937 OG1 THR A 117 0.325 12.413 9.930 1.00 0.00 O ATOM 938 CG2 THR A 117 -1.845 13.415 9.616 1.00 0.00 C ATOM 0 H THR A 117 0.577 10.484 8.423 1.00 0.00 H new ATOM 0 HA THR A 117 -1.928 10.809 9.812 1.00 0.00 H new ATOM 0 HB THR A 117 -0.465 12.825 8.073 1.00 0.00 H new ATOM 0 HG1 THR A 117 0.709 13.310 10.024 1.00 0.00 H new ATOM 0 HG21 THR A 117 -1.419 14.413 9.720 1.00 0.00 H new ATOM 0 HG22 THR A 117 -2.699 13.454 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.171 13.057 10.592 1.00 0.00 H new ATOM 946 N ASP A 118 -3.525 11.629 7.912 1.00 0.00 N ATOM 947 CA ASP A 118 -4.531 11.665 6.859 1.00 0.00 C ATOM 948 C ASP A 118 -4.016 12.428 5.645 1.00 0.00 C ATOM 949 O ASP A 118 -4.261 12.035 4.505 1.00 0.00 O ATOM 950 CB ASP A 118 -5.808 12.330 7.379 1.00 0.00 C ATOM 951 CG ASP A 118 -6.934 12.164 6.364 1.00 0.00 C ATOM 952 OD1 ASP A 118 -6.631 11.899 5.212 1.00 0.00 O ATOM 953 OD2 ASP A 118 -8.082 12.305 6.752 1.00 0.00 O ATOM 0 H ASP A 118 -3.803 12.086 8.780 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.750 10.640 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.097 11.885 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.627 13.389 7.564 1.00 0.00 H new ATOM 958 N GLU A 119 -3.303 13.520 5.897 1.00 0.00 N ATOM 959 CA GLU A 119 -2.756 14.329 4.817 1.00 0.00 C ATOM 960 C GLU A 119 -1.664 13.570 4.072 1.00 0.00 C ATOM 961 O GLU A 119 -1.532 13.689 2.853 1.00 0.00 O ATOM 962 CB GLU A 119 -2.184 15.631 5.379 1.00 0.00 C ATOM 963 CG GLU A 119 -3.323 16.516 5.889 1.00 0.00 C ATOM 964 CD GLU A 119 -2.757 17.768 6.550 1.00 0.00 C ATOM 965 OE1 GLU A 119 -1.546 17.916 6.552 1.00 0.00 O ATOM 966 OE2 GLU A 119 -3.543 18.559 7.046 1.00 0.00 O ATOM 0 H GLU A 119 -3.092 13.863 6.834 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.561 14.557 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.488 15.414 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.621 16.155 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.975 16.795 5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -3.933 15.962 6.603 1.00 0.00 H new ATOM 973 N GLU A 120 -0.883 12.792 4.812 1.00 0.00 N ATOM 974 CA GLU A 120 0.200 12.019 4.211 1.00 0.00 C ATOM 975 C GLU A 120 -0.354 10.963 3.264 1.00 0.00 C ATOM 976 O GLU A 120 0.172 10.759 2.173 1.00 0.00 O ATOM 977 CB GLU A 120 1.027 11.346 5.306 1.00 0.00 C ATOM 978 CG GLU A 120 1.795 12.405 6.098 1.00 0.00 C ATOM 979 CD GLU A 120 2.892 13.013 5.229 1.00 0.00 C ATOM 980 OE1 GLU A 120 3.131 12.483 4.156 1.00 0.00 O ATOM 981 OE2 GLU A 120 3.484 13.991 5.654 1.00 0.00 O ATOM 0 H GLU A 120 -0.977 12.679 5.821 1.00 0.00 H new ATOM 0 HA GLU A 120 0.835 12.698 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.375 10.782 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.723 10.634 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.112 13.185 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.233 11.957 6.990 1.00 0.00 H new ATOM 988 N VAL A 121 -1.423 10.298 3.687 1.00 0.00 N ATOM 989 CA VAL A 121 -2.037 9.263 2.866 1.00 0.00 C ATOM 990 C VAL A 121 -2.521 9.847 1.542 1.00 0.00 C ATOM 991 O VAL A 121 -2.294 9.270 0.483 1.00 0.00 O ATOM 992 CB VAL A 121 -3.219 8.637 3.615 1.00 0.00 C ATOM 993 CG1 VAL A 121 -3.992 7.710 2.672 1.00 0.00 C ATOM 994 CG2 VAL A 121 -2.697 7.830 4.805 1.00 0.00 C ATOM 0 H VAL A 121 -1.879 10.455 4.586 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.290 8.496 2.659 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.881 9.426 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.832 7.266 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.364 8.283 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.331 6.920 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.536 7.384 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.034 7.042 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.148 8.488 5.478 1.00 0.00 H new ATOM 1004 N ASP A 122 -3.191 10.990 1.616 1.00 0.00 N ATOM 1005 CA ASP A 122 -3.709 11.636 0.416 1.00 0.00 C ATOM 1006 C ASP A 122 -2.575 11.951 -0.553 1.00 0.00 C ATOM 1007 O ASP A 122 -2.693 11.726 -1.758 1.00 0.00 O ATOM 1008 CB ASP A 122 -4.434 12.929 0.792 1.00 0.00 C ATOM 1009 CG ASP A 122 -5.255 13.432 -0.391 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -4.980 13.005 -1.500 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -6.148 14.233 -0.170 1.00 0.00 O ATOM 0 H ASP A 122 -3.387 11.485 2.486 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.408 10.955 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.085 12.754 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.710 13.687 1.091 1.00 0.00 H new ATOM 1016 N GLU A 123 -1.477 12.473 -0.020 1.00 0.00 N ATOM 1017 CA GLU A 123 -0.328 12.815 -0.850 1.00 0.00 C ATOM 1018 C GLU A 123 0.321 11.555 -1.415 1.00 0.00 C ATOM 1019 O GLU A 123 0.765 11.536 -2.562 1.00 0.00 O ATOM 1020 CB GLU A 123 0.702 13.591 -0.022 1.00 0.00 C ATOM 1021 CG GLU A 123 1.851 14.044 -0.926 1.00 0.00 C ATOM 1022 CD GLU A 123 2.863 14.849 -0.120 1.00 0.00 C ATOM 1023 OE1 GLU A 123 2.784 14.815 1.097 1.00 0.00 O ATOM 1024 OE2 GLU A 123 3.702 15.491 -0.730 1.00 0.00 O ATOM 0 H GLU A 123 -1.358 12.668 0.974 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.674 13.435 -1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.231 14.456 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.085 12.963 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.337 13.176 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.463 14.649 -1.746 1.00 0.00 H new ATOM 1031 N MET A 124 0.375 10.507 -0.602 1.00 0.00 N ATOM 1032 CA MET A 124 0.979 9.251 -1.035 1.00 0.00 C ATOM 1033 C MET A 124 0.216 8.665 -2.214 1.00 0.00 C ATOM 1034 O MET A 124 0.820 8.174 -3.170 1.00 0.00 O ATOM 1035 CB MET A 124 0.980 8.250 0.128 1.00 0.00 C ATOM 1036 CG MET A 124 2.096 8.606 1.114 1.00 0.00 C ATOM 1037 SD MET A 124 3.706 8.269 0.358 1.00 0.00 S ATOM 1038 CE MET A 124 3.821 6.529 0.836 1.00 0.00 C ATOM 0 H MET A 124 0.012 10.500 0.351 1.00 0.00 H new ATOM 0 HA MET A 124 2.004 9.449 -1.349 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.015 8.266 0.635 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.125 7.238 -0.250 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.027 9.658 1.393 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.985 8.026 2.030 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.757 6.111 0.465 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.792 6.448 1.923 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.983 5.978 0.409 1.00 0.00 H new ATOM 1048 N ILE A 125 -1.109 8.713 -2.140 1.00 0.00 N ATOM 1049 CA ILE A 125 -1.936 8.175 -3.211 1.00 0.00 C ATOM 1050 C ILE A 125 -1.696 8.938 -4.509 1.00 0.00 C ATOM 1051 O ILE A 125 -1.536 8.336 -5.568 1.00 0.00 O ATOM 1052 CB ILE A 125 -3.415 8.288 -2.824 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -3.702 7.367 -1.636 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -4.290 7.868 -4.011 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -5.093 7.669 -1.075 1.00 0.00 C ATOM 0 H ILE A 125 -1.628 9.114 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.670 7.129 -3.362 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.639 9.319 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.644 6.325 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -2.948 7.510 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -5.341 7.949 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.087 8.519 -4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.064 6.837 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.295 7.012 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.135 8.707 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.842 7.503 -1.850 1.00 0.00 H new ATOM 1067 N ARG A 126 -1.664 10.262 -4.419 1.00 0.00 N ATOM 1068 CA ARG A 126 -1.441 11.091 -5.600 1.00 0.00 C ATOM 1069 C ARG A 126 -0.076 10.807 -6.207 1.00 0.00 C ATOM 1070 O ARG A 126 0.059 10.687 -7.424 1.00 0.00 O ATOM 1071 CB ARG A 126 -1.530 12.570 -5.211 1.00 0.00 C ATOM 1072 CG ARG A 126 -2.973 12.917 -4.829 1.00 0.00 C ATOM 1073 CD ARG A 126 -3.791 13.210 -6.089 1.00 0.00 C ATOM 1074 NE ARG A 126 -5.142 13.622 -5.729 1.00 0.00 N ATOM 1075 CZ ARG A 126 -6.128 12.737 -5.634 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -6.030 11.743 -4.794 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -7.189 12.859 -6.381 1.00 0.00 N ATOM 0 H ARG A 126 -1.788 10.782 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.206 10.856 -6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.862 12.777 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.203 13.195 -6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.421 12.090 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.985 13.784 -4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.307 13.994 -6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.830 12.322 -6.720 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.334 14.607 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.198 11.647 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -6.786 11.062 -4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.263 13.635 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.946 12.179 -6.307 1.00 0.00 H new ATOM 1091 N GLU A 127 0.935 10.697 -5.352 1.00 0.00 N ATOM 1092 CA GLU A 127 2.288 10.421 -5.820 1.00 0.00 C ATOM 1093 C GLU A 127 2.389 9.013 -6.386 1.00 0.00 C ATOM 1094 O GLU A 127 3.043 8.786 -7.405 1.00 0.00 O ATOM 1095 CB GLU A 127 3.280 10.580 -4.664 1.00 0.00 C ATOM 1096 CG GLU A 127 3.345 12.049 -4.240 1.00 0.00 C ATOM 1097 CD GLU A 127 3.972 12.888 -5.348 1.00 0.00 C ATOM 1098 OE1 GLU A 127 4.639 12.311 -6.193 1.00 0.00 O ATOM 1099 OE2 GLU A 127 3.773 14.091 -5.341 1.00 0.00 O ATOM 0 H GLU A 127 0.845 10.794 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 127 2.528 11.132 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.973 9.961 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.268 10.235 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.343 12.416 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.930 12.146 -3.325 1.00 0.00 H new ATOM 1106 N ALA A 128 1.738 8.064 -5.721 1.00 0.00 N ATOM 1107 CA ALA A 128 1.765 6.677 -6.167 1.00 0.00 C ATOM 1108 C ALA A 128 0.804 6.464 -7.331 1.00 0.00 C ATOM 1109 O ALA A 128 1.001 5.570 -8.154 1.00 0.00 O ATOM 1110 CB ALA A 128 1.381 5.751 -5.009 1.00 0.00 C ATOM 0 H ALA A 128 1.189 8.229 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 128 2.776 6.444 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.403 4.715 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.089 5.879 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.377 5.998 -4.663 1.00 0.00 H new ATOM 1116 N ASP A 129 -0.237 7.287 -7.388 1.00 0.00 N ATOM 1117 CA ASP A 129 -1.224 7.173 -8.455 1.00 0.00 C ATOM 1118 C ASP A 129 -0.628 7.618 -9.786 1.00 0.00 C ATOM 1119 O ASP A 129 -0.441 8.807 -10.028 1.00 0.00 O ATOM 1120 CB ASP A 129 -2.446 8.039 -8.126 1.00 0.00 C ATOM 1121 CG ASP A 129 -3.419 8.037 -9.300 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -3.204 7.264 -10.218 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -4.360 8.809 -9.264 1.00 0.00 O ATOM 0 H ASP A 129 -0.418 8.033 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.527 6.129 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.941 7.659 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.131 9.059 -7.906 1.00 0.00 H new ATOM 1128 N ILE A 130 -0.344 6.649 -10.648 1.00 0.00 N ATOM 1129 CA ILE A 130 0.219 6.944 -11.956 1.00 0.00 C ATOM 1130 C ILE A 130 -0.798 7.665 -12.833 1.00 0.00 C ATOM 1131 O ILE A 130 -0.460 8.605 -13.552 1.00 0.00 O ATOM 1132 CB ILE A 130 0.670 5.653 -12.644 1.00 0.00 C ATOM 1133 CG1 ILE A 130 1.650 4.907 -11.734 1.00 0.00 C ATOM 1134 CG2 ILE A 130 1.354 5.986 -13.969 1.00 0.00 C ATOM 1135 CD1 ILE A 130 1.914 3.512 -12.303 1.00 0.00 C ATOM 0 H ILE A 130 -0.494 5.657 -10.464 1.00 0.00 H new ATOM 0 HA ILE A 130 1.082 7.595 -11.814 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.199 5.024 -12.837 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.585 5.462 -11.656 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.240 4.829 -10.727 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.673 5.064 -14.455 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.655 6.515 -14.617 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.223 6.617 -13.781 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.612 2.981 -11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.977 2.958 -12.358 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.342 3.601 -13.301 1.00 0.00 H new ATOM 1147 N ASP A 131 -2.043 7.208 -12.779 1.00 0.00 N ATOM 1148 CA ASP A 131 -3.102 7.802 -13.586 1.00 0.00 C ATOM 1149 C ASP A 131 -3.610 9.084 -12.941 1.00 0.00 C ATOM 1150 O ASP A 131 -4.531 9.725 -13.449 1.00 0.00 O ATOM 1151 CB ASP A 131 -4.260 6.813 -13.735 1.00 0.00 C ATOM 1152 CG ASP A 131 -3.729 5.444 -14.149 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -3.172 5.346 -15.229 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -3.884 4.515 -13.371 1.00 0.00 O ATOM 0 H ASP A 131 -2.343 6.432 -12.189 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.695 8.039 -14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.803 6.732 -12.793 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.967 7.178 -14.480 1.00 0.00 H new ATOM 1159 N GLY A 132 -3.003 9.459 -11.818 1.00 0.00 N ATOM 1160 CA GLY A 132 -3.400 10.675 -11.117 1.00 0.00 C ATOM 1161 C GLY A 132 -4.915 10.805 -11.070 1.00 0.00 C ATOM 1162 O GLY A 132 -5.453 11.908 -10.970 1.00 0.00 O ATOM 0 H GLY A 132 -2.241 8.943 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -3.001 10.662 -10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -2.972 11.544 -11.617 1.00 0.00 H new ATOM 1166 N ASP A 133 -5.605 9.671 -11.149 1.00 0.00 N ATOM 1167 CA ASP A 133 -7.063 9.672 -11.123 1.00 0.00 C ATOM 1168 C ASP A 133 -7.574 9.749 -9.688 1.00 0.00 C ATOM 1169 O ASP A 133 -8.781 9.788 -9.450 1.00 0.00 O ATOM 1170 CB ASP A 133 -7.598 8.401 -11.788 1.00 0.00 C ATOM 1171 CG ASP A 133 -6.984 7.171 -11.132 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -6.065 7.339 -10.348 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -7.439 6.076 -11.424 1.00 0.00 O ATOM 0 H ASP A 133 -5.182 8.747 -11.231 1.00 0.00 H new ATOM 0 HA ASP A 133 -7.416 10.546 -11.670 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -8.684 8.365 -11.702 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -7.363 8.411 -12.852 1.00 0.00 H new ATOM 1178 N GLY A 134 -6.647 9.773 -8.737 1.00 0.00 N ATOM 1179 CA GLY A 134 -7.013 9.848 -7.328 1.00 0.00 C ATOM 1180 C GLY A 134 -7.374 8.474 -6.787 1.00 0.00 C ATOM 1181 O GLY A 134 -7.672 8.316 -5.602 1.00 0.00 O ATOM 0 H GLY A 134 -5.643 9.742 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.184 10.263 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -7.858 10.526 -7.203 1.00 0.00 H new ATOM 1185 N GLN A 135 -7.349 7.471 -7.661 1.00 0.00 N ATOM 1186 CA GLN A 135 -7.677 6.106 -7.259 1.00 0.00 C ATOM 1187 C GLN A 135 -6.757 5.112 -7.950 1.00 0.00 C ATOM 1188 O GLN A 135 -6.162 5.412 -8.988 1.00 0.00 O ATOM 1189 CB GLN A 135 -9.130 5.790 -7.614 1.00 0.00 C ATOM 1190 CG GLN A 135 -10.063 6.585 -6.699 1.00 0.00 C ATOM 1191 CD GLN A 135 -11.515 6.335 -7.090 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -11.857 6.378 -8.272 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -12.397 6.075 -6.163 1.00 0.00 N ATOM 0 H GLN A 135 -7.107 7.576 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 135 -7.542 6.023 -6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -9.324 6.042 -8.657 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -9.318 4.722 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.902 6.294 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -9.837 7.649 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -12.113 6.040 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -13.370 5.907 -6.418 1.00 0.00 H new ATOM 1202 N VAL A 136 -6.639 3.918 -7.370 1.00 0.00 N ATOM 1203 CA VAL A 136 -5.780 2.883 -7.944 1.00 0.00 C ATOM 1204 C VAL A 136 -6.624 1.788 -8.584 1.00 0.00 C ATOM 1205 O VAL A 136 -7.532 1.239 -7.960 1.00 0.00 O ATOM 1206 CB VAL A 136 -4.900 2.274 -6.851 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -3.973 1.225 -7.469 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -4.062 3.375 -6.200 1.00 0.00 C ATOM 0 H VAL A 136 -7.121 3.645 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 136 -5.150 3.338 -8.708 1.00 0.00 H new ATOM 0 HB VAL A 136 -5.530 1.803 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.345 0.790 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.570 0.441 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.342 1.696 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.435 2.942 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -3.431 3.846 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -4.722 4.123 -5.760 1.00 0.00 H new ATOM 1218 N ASN A 137 -6.321 1.475 -9.841 1.00 0.00 N ATOM 1219 CA ASN A 137 -7.057 0.441 -10.564 1.00 0.00 C ATOM 1220 C ASN A 137 -6.361 -0.908 -10.426 1.00 0.00 C ATOM 1221 O ASN A 137 -5.240 -0.990 -9.922 1.00 0.00 O ATOM 1222 CB ASN A 137 -7.164 0.813 -12.043 1.00 0.00 C ATOM 1223 CG ASN A 137 -8.021 -0.213 -12.777 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -7.588 -0.779 -13.781 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -9.215 -0.490 -12.332 1.00 0.00 N ATOM 0 H ASN A 137 -5.576 1.919 -10.378 1.00 0.00 H new ATOM 0 HA ASN A 137 -8.056 0.367 -10.135 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -7.602 1.806 -12.146 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.170 0.855 -12.489 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -9.793 -1.177 -12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -9.571 -0.020 -11.500 1.00 0.00 H new ATOM 1232 N TYR A 138 -7.036 -1.965 -10.869 1.00 0.00 N ATOM 1233 CA TYR A 138 -6.471 -3.308 -10.782 1.00 0.00 C ATOM 1234 C TYR A 138 -5.169 -3.391 -11.575 1.00 0.00 C ATOM 1235 O TYR A 138 -4.147 -3.844 -11.061 1.00 0.00 O ATOM 1236 CB TYR A 138 -7.469 -4.327 -11.336 1.00 0.00 C ATOM 1237 CG TYR A 138 -6.871 -5.711 -11.257 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -6.908 -6.419 -10.049 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -6.281 -6.287 -12.388 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -6.354 -7.702 -9.974 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -5.727 -7.570 -12.312 1.00 0.00 C ATOM 1242 CZ TYR A 138 -5.764 -8.278 -11.105 1.00 0.00 C ATOM 1243 OH TYR A 138 -5.218 -9.543 -11.030 1.00 0.00 O ATOM 0 H TYR A 138 -7.965 -1.919 -11.288 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.264 -3.530 -9.735 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.398 -4.288 -10.768 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.717 -4.085 -12.369 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.364 -5.975 -9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.253 -5.741 -13.320 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -6.382 -8.248 -9.043 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -5.271 -8.014 -13.185 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.851 -9.793 -11.904 1.00 0.00 H new ATOM 1253 N GLU A 139 -5.213 -2.944 -12.827 1.00 0.00 N ATOM 1254 CA GLU A 139 -4.027 -2.967 -13.677 1.00 0.00 C ATOM 1255 C GLU A 139 -2.930 -2.085 -13.092 1.00 0.00 C ATOM 1256 O GLU A 139 -1.750 -2.435 -13.133 1.00 0.00 O ATOM 1257 CB GLU A 139 -4.380 -2.480 -15.083 1.00 0.00 C ATOM 1258 CG GLU A 139 -5.276 -3.510 -15.772 1.00 0.00 C ATOM 1259 CD GLU A 139 -5.664 -3.016 -17.162 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -5.269 -1.916 -17.510 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -6.348 -3.747 -17.858 1.00 0.00 O ATOM 0 H GLU A 139 -6.049 -2.565 -13.272 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.663 -3.993 -13.730 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.890 -1.518 -15.028 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -3.471 -2.327 -15.665 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -4.755 -4.464 -15.848 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.172 -3.683 -15.175 1.00 0.00 H new ATOM 1268 N GLU A 140 -3.324 -0.940 -12.541 1.00 0.00 N ATOM 1269 CA GLU A 140 -2.367 -0.022 -11.946 1.00 0.00 C ATOM 1270 C GLU A 140 -1.774 -0.615 -10.668 1.00 0.00 C ATOM 1271 O GLU A 140 -0.589 -0.451 -10.389 1.00 0.00 O ATOM 1272 CB GLU A 140 -3.054 1.312 -11.623 1.00 0.00 C ATOM 1273 CG GLU A 140 -2.045 2.455 -11.749 1.00 0.00 C ATOM 1274 CD GLU A 140 -2.585 3.708 -11.077 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -3.251 3.573 -10.066 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -2.327 4.785 -11.585 1.00 0.00 O ATOM 0 H GLU A 140 -4.295 -0.630 -12.496 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.562 0.147 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.890 1.476 -12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.464 1.286 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.099 2.167 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.842 2.656 -12.801 1.00 0.00 H new ATOM 1283 N PHE A 141 -2.615 -1.299 -9.896 1.00 0.00 N ATOM 1284 CA PHE A 141 -2.165 -1.907 -8.648 1.00 0.00 C ATOM 1285 C PHE A 141 -1.053 -2.912 -8.929 1.00 0.00 C ATOM 1286 O PHE A 141 -0.030 -2.924 -8.240 1.00 0.00 O ATOM 1287 CB PHE A 141 -3.337 -2.603 -7.957 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.840 -3.324 -6.725 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.620 -2.617 -5.539 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -2.595 -4.702 -6.777 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.157 -3.288 -4.401 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -2.132 -5.372 -5.639 1.00 0.00 C ATOM 1293 CZ PHE A 141 -1.913 -4.665 -4.450 1.00 0.00 C ATOM 0 H PHE A 141 -3.602 -1.445 -10.110 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.778 -1.127 -7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.097 -1.872 -7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.808 -3.310 -8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.807 -1.554 -5.501 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.763 -5.247 -7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.988 -2.742 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.943 -6.435 -5.678 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.556 -5.182 -3.572 1.00 0.00 H new ATOM 1303 N VAL A 142 -1.271 -3.771 -9.918 1.00 0.00 N ATOM 1304 CA VAL A 142 -0.285 -4.792 -10.248 1.00 0.00 C ATOM 1305 C VAL A 142 1.048 -4.151 -10.581 1.00 0.00 C ATOM 1306 O VAL A 142 2.092 -4.569 -10.075 1.00 0.00 O ATOM 1307 CB VAL A 142 -0.772 -5.603 -11.458 1.00 0.00 C ATOM 1308 CG1 VAL A 142 0.339 -6.546 -11.926 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -2.002 -6.422 -11.065 1.00 0.00 C ATOM 0 H VAL A 142 -2.110 -3.782 -10.498 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.159 -5.448 -9.387 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.033 -4.920 -12.267 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.009 -7.120 -12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.215 -5.963 -12.210 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.603 -7.227 -11.117 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.346 -6.997 -11.925 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.742 -7.102 -10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.796 -5.751 -10.736 1.00 0.00 H new ATOM 1319 N GLN A 143 1.021 -3.124 -11.423 1.00 0.00 N ATOM 1320 CA GLN A 143 2.241 -2.422 -11.800 1.00 0.00 C ATOM 1321 C GLN A 143 2.836 -1.682 -10.605 1.00 0.00 C ATOM 1322 O GLN A 143 4.041 -1.709 -10.386 1.00 0.00 O ATOM 1323 CB GLN A 143 1.945 -1.426 -12.925 1.00 0.00 C ATOM 1324 CG GLN A 143 1.607 -2.191 -14.207 1.00 0.00 C ATOM 1325 CD GLN A 143 1.237 -1.212 -15.316 1.00 0.00 C ATOM 1326 OE1 GLN A 143 0.477 -0.271 -15.086 1.00 0.00 O ATOM 1327 NE2 GLN A 143 1.732 -1.376 -16.512 1.00 0.00 N ATOM 0 H GLN A 143 0.172 -2.761 -11.855 1.00 0.00 H new ATOM 0 HA GLN A 143 2.964 -3.160 -12.147 1.00 0.00 H new ATOM 0 HB2 GLN A 143 1.113 -0.780 -12.644 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.808 -0.781 -13.090 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.460 -2.796 -14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 143 0.779 -2.876 -14.024 1.00 0.00 H new ATOM 0 HE21 GLN A 143 2.361 -2.156 -16.701 1.00 0.00 H new ATOM 0 HE22 GLN A 143 1.490 -0.724 -17.258 1.00 0.00 H new ATOM 1336 N MET A 144 1.977 -1.015 -9.845 1.00 0.00 N ATOM 1337 CA MET A 144 2.427 -0.263 -8.680 1.00 0.00 C ATOM 1338 C MET A 144 3.119 -1.181 -7.682 1.00 0.00 C ATOM 1339 O MET A 144 4.098 -0.792 -7.046 1.00 0.00 O ATOM 1340 CB MET A 144 1.232 0.422 -8.005 1.00 0.00 C ATOM 1341 CG MET A 144 0.855 1.687 -8.780 1.00 0.00 C ATOM 1342 SD MET A 144 -0.651 2.399 -8.075 1.00 0.00 S ATOM 1343 CE MET A 144 0.030 2.814 -6.451 1.00 0.00 C ATOM 0 H MET A 144 0.971 -0.979 -10.012 1.00 0.00 H new ATOM 0 HA MET A 144 3.139 0.492 -9.013 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.383 -0.260 -7.969 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.481 0.676 -6.975 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.669 2.411 -8.734 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.700 1.449 -9.832 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.370 3.774 -6.123 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.246 2.042 -5.733 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.116 2.877 -6.517 1.00 0.00 H new ATOM 1353 N MET A 145 2.609 -2.397 -7.556 1.00 0.00 N ATOM 1354 CA MET A 145 3.187 -3.369 -6.637 1.00 0.00 C ATOM 1355 C MET A 145 4.458 -3.972 -7.218 1.00 0.00 C ATOM 1356 O MET A 145 5.356 -4.387 -6.484 1.00 0.00 O ATOM 1357 CB MET A 145 2.178 -4.476 -6.340 1.00 0.00 C ATOM 1358 CG MET A 145 2.795 -5.482 -5.367 1.00 0.00 C ATOM 1359 SD MET A 145 1.488 -6.500 -4.642 1.00 0.00 S ATOM 1360 CE MET A 145 1.981 -6.314 -2.909 1.00 0.00 C ATOM 0 H MET A 145 1.799 -2.734 -8.076 1.00 0.00 H new ATOM 0 HA MET A 145 3.439 -2.854 -5.710 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.270 -4.050 -5.912 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.890 -4.977 -7.264 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.515 -6.113 -5.888 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.340 -4.958 -4.582 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.295 -6.874 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.993 -6.696 -2.776 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.952 -5.260 -2.634 1.00 0.00 H new ATOM 1370 N THR A 146 4.528 -4.030 -8.545 1.00 0.00 N ATOM 1371 CA THR A 146 5.693 -4.591 -9.219 1.00 0.00 C ATOM 1372 C THR A 146 6.642 -3.483 -9.665 1.00 0.00 C ATOM 1373 O THR A 146 7.757 -3.753 -10.109 1.00 0.00 O ATOM 1374 CB THR A 146 5.247 -5.411 -10.434 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.198 -4.735 -11.099 1.00 0.00 O ATOM 1376 CG2 THR A 146 4.763 -6.789 -9.981 1.00 0.00 C ATOM 0 H THR A 146 3.795 -3.697 -9.172 1.00 0.00 H new ATOM 0 HA THR A 146 6.219 -5.239 -8.518 1.00 0.00 H new ATOM 0 HB THR A 146 6.090 -5.534 -11.114 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.336 -5.051 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 146 4.447 -7.367 -10.849 1.00 0.00 H new ATOM 0 HG22 THR A 146 5.574 -7.311 -9.473 1.00 0.00 H new ATOM 0 HG23 THR A 146 3.922 -6.673 -9.297 1.00 0.00 H new