USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 700 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 833 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 835 ASN : amide:sc= -5.68! C(o=-5.7!,f=-7.7!) USER MOD Single : A 841 SER OG : rot 180:sc= 0 USER MOD Single : A 853 THR OG1 : rot 106:sc= -2.8! USER MOD Single : A 854 THR OG1 : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 150:sc= -1.21 USER MOD Single : A 857 MET CE :methyl 173:sc= -15.1! (180deg=-15.5!) USER MOD Single : A 858 THR OG1 : rot -64:sc= -0.178 USER MOD Single : A 859 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.325) USER MOD Single : A 860 TYR OH : rot 180:sc= 0 USER MOD Single : A 868 THR OG1 : rot -32:sc= 0.311 USER MOD Single : A 872 GLN : amide:sc= 0.562 K(o=0.56,f=-10!) USER MOD Single : A 875 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 876 CYS SG : rot 180:sc= -0.0164 USER MOD Single : A 880 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 887 THR OG1 : rot -19:sc= 0.661 USER MOD Single : A 894 MET CE :methyl 169:sc= -3.51! (180deg=-3.95!) USER MOD Single : A 895 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 898 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 901 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 909 TYR OH : rot 180:sc= -4.27! USER MOD Single : A 914 SER OG : rot 17:sc= 1.11 USER MOD Single : A 915 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 926 THR OG1 : rot 69:sc= -7.44! USER MOD ----------------------------------------------------------------- ATOM 438 N GLN A 833 7.641 -10.718 -1.225 1.00 0.00 N ATOM 439 CA GLN A 833 7.268 -11.994 -1.905 1.00 0.00 C ATOM 440 C GLN A 833 6.032 -11.784 -2.773 1.00 0.00 C ATOM 441 O GLN A 833 5.141 -12.608 -2.830 1.00 0.00 O ATOM 442 CB GLN A 833 6.974 -12.978 -0.775 1.00 0.00 C ATOM 443 CG GLN A 833 5.824 -12.432 0.073 1.00 0.00 C ATOM 444 CD GLN A 833 5.508 -13.411 1.206 1.00 0.00 C ATOM 445 OE1 GLN A 833 5.837 -14.578 1.127 1.00 0.00 O ATOM 446 NE2 GLN A 833 4.880 -12.981 2.267 1.00 0.00 N ATOM 0 HA GLN A 833 8.058 -12.359 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 833 6.710 -13.953 -1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 833 7.862 -13.120 -0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 833 6.093 -11.459 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 833 4.941 -12.282 -0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 833 4.604 -12.001 2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 833 4.666 -13.625 3.029 1.00 0.00 H new ATOM 455 N GLU A 834 5.988 -10.679 -3.442 1.00 0.00 N ATOM 456 CA GLU A 834 4.838 -10.360 -4.319 1.00 0.00 C ATOM 457 C GLU A 834 5.203 -9.131 -5.139 1.00 0.00 C ATOM 458 O GLU A 834 5.419 -8.065 -4.597 1.00 0.00 O ATOM 459 CB GLU A 834 3.678 -10.064 -3.369 1.00 0.00 C ATOM 460 CG GLU A 834 2.388 -9.880 -4.174 1.00 0.00 C ATOM 461 CD GLU A 834 1.725 -8.560 -3.779 1.00 0.00 C ATOM 462 OE1 GLU A 834 1.310 -8.447 -2.636 1.00 0.00 O ATOM 463 OE2 GLU A 834 1.647 -7.684 -4.623 1.00 0.00 O ATOM 0 H GLU A 834 6.716 -9.965 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 834 4.575 -11.162 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 834 3.561 -10.881 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 834 3.889 -9.165 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 834 2.609 -9.883 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 834 1.708 -10.711 -3.987 1.00 0.00 H new ATOM 470 N ASN A 835 5.281 -9.258 -6.431 1.00 0.00 N ATOM 471 CA ASN A 835 5.634 -8.073 -7.248 1.00 0.00 C ATOM 472 C ASN A 835 4.448 -7.156 -7.236 1.00 0.00 C ATOM 473 O ASN A 835 3.358 -7.549 -7.533 1.00 0.00 O ATOM 474 CB ASN A 835 5.917 -8.530 -8.689 1.00 0.00 C ATOM 475 CG ASN A 835 6.688 -9.851 -8.691 1.00 0.00 C ATOM 476 OD1 ASN A 835 7.623 -10.018 -7.934 1.00 0.00 O ATOM 477 ND2 ASN A 835 6.341 -10.799 -9.517 1.00 0.00 N ATOM 0 H ASN A 835 5.118 -10.121 -6.950 1.00 0.00 H new ATOM 0 HA ASN A 835 6.516 -7.567 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 835 4.978 -8.649 -9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 835 6.492 -7.766 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 835 6.855 -11.680 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 835 5.556 -10.659 -10.153 1.00 0.00 H new ATOM 484 N VAL A 836 4.636 -5.953 -6.880 1.00 0.00 N ATOM 485 CA VAL A 836 3.477 -5.026 -6.859 1.00 0.00 C ATOM 486 C VAL A 836 3.840 -3.714 -7.528 1.00 0.00 C ATOM 487 O VAL A 836 4.845 -3.096 -7.234 1.00 0.00 O ATOM 488 CB VAL A 836 3.079 -4.844 -5.387 1.00 0.00 C ATOM 489 CG1 VAL A 836 3.897 -5.792 -4.525 1.00 0.00 C ATOM 490 CG2 VAL A 836 3.313 -3.402 -4.928 1.00 0.00 C ATOM 0 H VAL A 836 5.531 -5.552 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 836 2.631 -5.425 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 836 2.017 -5.067 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 836 3.617 -5.666 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 836 3.704 -6.820 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 836 4.957 -5.571 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 836 3.023 -3.301 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 836 4.368 -3.152 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 836 2.715 -2.725 -5.537 1.00 0.00 H new ATOM 500 N GLU A 837 3.010 -3.288 -8.420 1.00 0.00 N ATOM 501 CA GLU A 837 3.270 -1.998 -9.113 1.00 0.00 C ATOM 502 C GLU A 837 2.312 -0.962 -8.569 1.00 0.00 C ATOM 503 O GLU A 837 1.568 -1.223 -7.644 1.00 0.00 O ATOM 504 CB GLU A 837 3.004 -2.248 -10.594 1.00 0.00 C ATOM 505 CG GLU A 837 3.851 -1.290 -11.434 1.00 0.00 C ATOM 506 CD GLU A 837 4.347 -2.011 -12.690 1.00 0.00 C ATOM 507 OE1 GLU A 837 5.091 -2.967 -12.545 1.00 0.00 O ATOM 508 OE2 GLU A 837 3.975 -1.595 -13.774 1.00 0.00 O ATOM 0 H GLU A 837 2.159 -3.773 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 837 4.288 -1.639 -8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 837 3.244 -3.280 -10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 837 1.946 -2.103 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 837 3.262 -0.416 -11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 837 4.698 -0.930 -10.850 1.00 0.00 H new ATOM 515 N ILE A 838 2.311 0.204 -9.125 1.00 0.00 N ATOM 516 CA ILE A 838 1.385 1.230 -8.619 1.00 0.00 C ATOM 517 C ILE A 838 0.816 2.032 -9.783 1.00 0.00 C ATOM 518 O ILE A 838 1.419 2.167 -10.828 1.00 0.00 O ATOM 519 CB ILE A 838 2.235 2.112 -7.687 1.00 0.00 C ATOM 520 CG1 ILE A 838 1.641 2.109 -6.276 1.00 0.00 C ATOM 521 CG2 ILE A 838 2.290 3.555 -8.203 1.00 0.00 C ATOM 522 CD1 ILE A 838 2.344 1.049 -5.419 1.00 0.00 C ATOM 0 H ILE A 838 2.907 0.489 -9.902 1.00 0.00 H new ATOM 0 HA ILE A 838 0.532 0.805 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 838 3.245 1.703 -7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 838 1.756 3.093 -5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 838 0.572 1.902 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 838 2.896 4.160 -7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 838 2.732 3.569 -9.199 1.00 0.00 H new ATOM 0 HG23 ILE A 838 1.281 3.964 -8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 838 1.918 1.051 -4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 838 2.206 0.066 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 838 3.409 1.275 -5.361 1.00 0.00 H new ATOM 534 N LEU A 839 -0.339 2.565 -9.583 1.00 0.00 N ATOM 535 CA LEU A 839 -1.001 3.382 -10.645 1.00 0.00 C ATOM 536 C LEU A 839 -2.158 4.175 -10.025 1.00 0.00 C ATOM 537 O LEU A 839 -2.561 3.887 -8.918 1.00 0.00 O ATOM 538 CB LEU A 839 -1.525 2.362 -11.662 1.00 0.00 C ATOM 539 CG LEU A 839 -0.898 2.625 -13.036 1.00 0.00 C ATOM 540 CD1 LEU A 839 0.309 1.705 -13.237 1.00 0.00 C ATOM 541 CD2 LEU A 839 -1.934 2.351 -14.129 1.00 0.00 C ATOM 0 H LEU A 839 -0.872 2.475 -8.718 1.00 0.00 H new ATOM 0 HA LEU A 839 -0.326 4.100 -11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -1.287 1.351 -11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -2.611 2.428 -11.730 1.00 0.00 H new ATOM 0 HG LEU A 839 -0.573 3.664 -13.092 1.00 0.00 H new ATOM 0 HD11 LEU A 839 0.752 1.895 -14.215 1.00 0.00 H new ATOM 0 HD12 LEU A 839 1.048 1.899 -12.460 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -0.013 0.665 -13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -1.490 2.538 -15.107 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -2.259 1.312 -14.070 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -2.793 3.008 -13.989 1.00 0.00 H new ATOM 553 N PRO A 840 -2.674 5.143 -10.746 1.00 0.00 N ATOM 554 CA PRO A 840 -3.799 5.945 -10.219 1.00 0.00 C ATOM 555 C PRO A 840 -4.984 5.036 -9.903 1.00 0.00 C ATOM 556 O PRO A 840 -5.360 4.192 -10.693 1.00 0.00 O ATOM 557 CB PRO A 840 -4.115 6.894 -11.372 1.00 0.00 C ATOM 558 CG PRO A 840 -3.142 6.602 -12.532 1.00 0.00 C ATOM 559 CD PRO A 840 -2.179 5.484 -12.101 1.00 0.00 C ATOM 0 HA PRO A 840 -3.571 6.473 -9.293 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -5.146 6.760 -11.700 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.016 7.930 -11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.695 6.302 -13.422 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -2.584 7.501 -12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -2.221 4.629 -12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -1.144 5.824 -12.082 1.00 0.00 H new ATOM 566 N SER A 841 -5.558 5.186 -8.742 1.00 0.00 N ATOM 567 CA SER A 841 -6.694 4.328 -8.343 1.00 0.00 C ATOM 568 C SER A 841 -7.753 4.294 -9.427 1.00 0.00 C ATOM 569 O SER A 841 -8.047 5.273 -10.083 1.00 0.00 O ATOM 570 CB SER A 841 -7.247 4.959 -7.062 1.00 0.00 C ATOM 571 OG SER A 841 -8.659 5.100 -7.163 1.00 0.00 O ATOM 0 H SER A 841 -5.280 5.879 -8.047 1.00 0.00 H new ATOM 0 HA SER A 841 -6.384 3.295 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 841 -6.995 4.338 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 841 -6.786 5.933 -6.898 1.00 0.00 H new ATOM 0 HG SER A 841 -9.007 5.503 -6.340 1.00 0.00 H new ATOM 577 N GLY A 842 -8.324 3.154 -9.589 1.00 0.00 N ATOM 578 CA GLY A 842 -9.394 2.980 -10.612 1.00 0.00 C ATOM 579 C GLY A 842 -8.778 2.621 -11.962 1.00 0.00 C ATOM 580 O GLY A 842 -8.677 3.445 -12.850 1.00 0.00 O ATOM 0 H GLY A 842 -8.100 2.315 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 842 -10.083 2.196 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 842 -9.975 3.898 -10.701 1.00 0.00 H new ATOM 740 N ILE A 852 -5.200 -13.973 -7.100 1.00 0.00 N ATOM 741 CA ILE A 852 -5.125 -14.436 -5.681 1.00 0.00 C ATOM 742 C ILE A 852 -4.955 -13.290 -4.682 1.00 0.00 C ATOM 743 O ILE A 852 -5.078 -13.489 -3.489 1.00 0.00 O ATOM 744 CB ILE A 852 -3.915 -15.376 -5.642 1.00 0.00 C ATOM 745 CG1 ILE A 852 -2.757 -14.835 -6.504 1.00 0.00 C ATOM 746 CG2 ILE A 852 -4.343 -16.732 -6.196 1.00 0.00 C ATOM 747 CD1 ILE A 852 -2.462 -13.369 -6.161 1.00 0.00 C ATOM 0 HA ILE A 852 -6.054 -14.923 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 852 -3.568 -15.458 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 852 -1.864 -15.438 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 852 -3.012 -14.922 -7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 852 -3.495 -17.417 -6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 852 -5.150 -17.136 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 852 -4.690 -16.613 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 852 -1.642 -13.008 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 852 -3.350 -12.766 -6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 852 -2.184 -13.290 -5.110 1.00 0.00 H new ATOM 759 N THR A 853 -4.661 -12.103 -5.137 1.00 0.00 N ATOM 760 CA THR A 853 -4.476 -10.981 -4.209 1.00 0.00 C ATOM 761 C THR A 853 -5.680 -10.875 -3.308 1.00 0.00 C ATOM 762 O THR A 853 -6.801 -10.719 -3.743 1.00 0.00 O ATOM 763 CB THR A 853 -4.346 -9.768 -5.104 1.00 0.00 C ATOM 764 OG1 THR A 853 -5.464 -9.708 -5.972 1.00 0.00 O ATOM 765 CG2 THR A 853 -3.074 -9.899 -5.929 1.00 0.00 C ATOM 0 H THR A 853 -4.542 -11.872 -6.124 1.00 0.00 H new ATOM 0 HA THR A 853 -3.607 -11.092 -3.560 1.00 0.00 H new ATOM 0 HB THR A 853 -4.304 -8.862 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 853 -6.067 -8.993 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 853 -2.970 -9.030 -6.578 1.00 0.00 H new ATOM 0 HG22 THR A 853 -2.213 -9.960 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 853 -3.126 -10.802 -6.537 1.00 0.00 H new ATOM 773 N THR A 854 -5.443 -10.973 -2.057 1.00 0.00 N ATOM 774 CA THR A 854 -6.553 -10.891 -1.087 1.00 0.00 C ATOM 775 C THR A 854 -7.299 -9.577 -1.307 1.00 0.00 C ATOM 776 O THR A 854 -6.674 -8.541 -1.393 1.00 0.00 O ATOM 777 CB THR A 854 -5.879 -10.911 0.291 1.00 0.00 C ATOM 778 OG1 THR A 854 -5.460 -12.235 0.590 1.00 0.00 O ATOM 779 CG2 THR A 854 -6.863 -10.433 1.366 1.00 0.00 C ATOM 0 H THR A 854 -4.518 -11.108 -1.648 1.00 0.00 H new ATOM 0 HA THR A 854 -7.273 -11.703 -1.187 1.00 0.00 H new ATOM 0 HB THR A 854 -5.017 -10.245 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 854 -5.027 -12.251 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 854 -6.375 -10.451 2.340 1.00 0.00 H new ATOM 0 HG22 THR A 854 -7.184 -9.416 1.140 1.00 0.00 H new ATOM 0 HG23 THR A 854 -7.731 -11.092 1.383 1.00 0.00 H new ATOM 787 N PRO A 855 -8.606 -9.645 -1.364 1.00 0.00 N ATOM 788 CA PRO A 855 -9.416 -8.419 -1.531 1.00 0.00 C ATOM 789 C PRO A 855 -9.085 -7.500 -0.360 1.00 0.00 C ATOM 790 O PRO A 855 -9.880 -7.285 0.532 1.00 0.00 O ATOM 791 CB PRO A 855 -10.851 -8.954 -1.457 1.00 0.00 C ATOM 792 CG PRO A 855 -10.796 -10.483 -1.255 1.00 0.00 C ATOM 793 CD PRO A 855 -9.327 -10.929 -1.265 1.00 0.00 C ATOM 0 HA PRO A 855 -9.247 -7.852 -2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -11.389 -8.483 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -11.393 -8.712 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -11.267 -10.756 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -11.350 -10.989 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -9.062 -11.475 -0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -9.107 -11.584 -2.108 1.00 0.00 H new ATOM 800 N TYR A 856 -7.876 -7.006 -0.350 1.00 0.00 N ATOM 801 CA TYR A 856 -7.391 -6.151 0.754 1.00 0.00 C ATOM 802 C TYR A 856 -5.917 -5.909 0.493 1.00 0.00 C ATOM 803 O TYR A 856 -5.087 -6.770 0.714 1.00 0.00 O ATOM 804 CB TYR A 856 -7.581 -6.982 2.021 1.00 0.00 C ATOM 805 CG TYR A 856 -7.017 -6.284 3.244 1.00 0.00 C ATOM 806 CD1 TYR A 856 -5.633 -6.160 3.421 1.00 0.00 C ATOM 807 CD2 TYR A 856 -7.888 -5.789 4.223 1.00 0.00 C ATOM 808 CE1 TYR A 856 -5.123 -5.543 4.567 1.00 0.00 C ATOM 809 CE2 TYR A 856 -7.377 -5.167 5.367 1.00 0.00 C ATOM 810 CZ TYR A 856 -5.995 -5.045 5.541 1.00 0.00 C ATOM 811 OH TYR A 856 -5.492 -4.440 6.674 1.00 0.00 O ATOM 0 H TYR A 856 -7.190 -7.169 -1.087 1.00 0.00 H new ATOM 0 HA TYR A 856 -7.907 -5.195 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 856 -8.643 -7.177 2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 856 -7.094 -7.949 1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 856 -4.958 -6.542 2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 856 -8.956 -5.888 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 856 -4.055 -5.451 4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 856 -8.051 -4.780 6.117 1.00 0.00 H new ATOM 0 HH TYR A 856 -6.126 -3.764 6.993 1.00 0.00 H new ATOM 821 N MET A 857 -5.588 -4.775 -0.019 1.00 0.00 N ATOM 822 CA MET A 857 -4.163 -4.497 -0.342 1.00 0.00 C ATOM 823 C MET A 857 -3.286 -4.750 0.884 1.00 0.00 C ATOM 824 O MET A 857 -3.777 -4.830 1.992 1.00 0.00 O ATOM 825 CB MET A 857 -4.117 -3.025 -0.720 1.00 0.00 C ATOM 826 CG MET A 857 -2.716 -2.655 -1.217 1.00 0.00 C ATOM 827 SD MET A 857 -2.806 -2.110 -2.937 1.00 0.00 S ATOM 828 CE MET A 857 -3.694 -0.570 -2.630 1.00 0.00 C ATOM 0 H MET A 857 -6.239 -4.019 -0.232 1.00 0.00 H new ATOM 0 HA MET A 857 -3.795 -5.137 -1.144 1.00 0.00 H new ATOM 0 HB2 MET A 857 -4.854 -2.817 -1.496 1.00 0.00 H new ATOM 0 HB3 MET A 857 -4.380 -2.411 0.142 1.00 0.00 H new ATOM 0 HG2 MET A 857 -2.296 -1.864 -0.596 1.00 0.00 H new ATOM 0 HG3 MET A 857 -2.050 -3.514 -1.132 1.00 0.00 H new ATOM 0 HE1 MET A 857 -3.755 0.005 -3.554 1.00 0.00 H new ATOM 0 HE2 MET A 857 -4.700 -0.795 -2.276 1.00 0.00 H new ATOM 0 HE3 MET A 857 -3.165 0.011 -1.875 1.00 0.00 H new ATOM 838 N THR A 858 -1.999 -4.888 0.709 1.00 0.00 N ATOM 839 CA THR A 858 -1.138 -5.152 1.898 1.00 0.00 C ATOM 840 C THR A 858 0.004 -4.153 2.013 1.00 0.00 C ATOM 841 O THR A 858 0.557 -3.700 1.032 1.00 0.00 O ATOM 842 CB THR A 858 -0.637 -6.572 1.692 1.00 0.00 C ATOM 843 OG1 THR A 858 0.024 -6.670 0.438 1.00 0.00 O ATOM 844 CG2 THR A 858 -1.850 -7.498 1.717 1.00 0.00 C ATOM 0 H THR A 858 -1.514 -4.831 -0.187 1.00 0.00 H new ATOM 0 HA THR A 858 -1.687 -5.042 2.833 1.00 0.00 H new ATOM 0 HB THR A 858 0.069 -6.849 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 858 -0.617 -6.501 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 858 -1.524 -8.528 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 858 -2.355 -7.410 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 858 -2.538 -7.219 0.919 1.00 0.00 H new ATOM 852 N LYS A 859 0.316 -3.791 3.235 1.00 0.00 N ATOM 853 CA LYS A 859 1.396 -2.790 3.520 1.00 0.00 C ATOM 854 C LYS A 859 2.503 -2.725 2.441 1.00 0.00 C ATOM 855 O LYS A 859 3.061 -1.670 2.223 1.00 0.00 O ATOM 856 CB LYS A 859 1.988 -3.221 4.865 1.00 0.00 C ATOM 857 CG LYS A 859 2.496 -4.663 4.777 1.00 0.00 C ATOM 858 CD LYS A 859 3.582 -4.889 5.833 1.00 0.00 C ATOM 859 CE LYS A 859 3.296 -6.185 6.597 1.00 0.00 C ATOM 860 NZ LYS A 859 3.435 -7.268 5.584 1.00 0.00 N ATOM 0 H LYS A 859 -0.145 -4.157 4.068 1.00 0.00 H new ATOM 0 HA LYS A 859 0.973 -1.786 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 859 2.805 -2.555 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 859 1.233 -3.140 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 859 1.672 -5.360 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 859 2.895 -4.859 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 859 4.561 -4.945 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 859 3.612 -4.047 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 859 3.998 -6.321 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 859 2.296 -6.175 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 859 3.609 -8.173 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 859 2.560 -7.335 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 859 4.233 -7.053 4.953 1.00 0.00 H new ATOM 874 N TYR A 860 2.850 -3.799 1.756 1.00 0.00 N ATOM 875 CA TYR A 860 3.921 -3.649 0.727 1.00 0.00 C ATOM 876 C TYR A 860 3.406 -2.766 -0.390 1.00 0.00 C ATOM 877 O TYR A 860 4.048 -1.807 -0.764 1.00 0.00 O ATOM 878 CB TYR A 860 4.253 -5.036 0.198 1.00 0.00 C ATOM 879 CG TYR A 860 5.280 -4.895 -0.915 1.00 0.00 C ATOM 880 CD1 TYR A 860 4.904 -4.335 -2.140 1.00 0.00 C ATOM 881 CD2 TYR A 860 6.612 -5.280 -0.713 1.00 0.00 C ATOM 882 CE1 TYR A 860 5.843 -4.157 -3.155 1.00 0.00 C ATOM 883 CE2 TYR A 860 7.551 -5.108 -1.739 1.00 0.00 C ATOM 884 CZ TYR A 860 7.167 -4.544 -2.957 1.00 0.00 C ATOM 885 OH TYR A 860 8.097 -4.367 -3.961 1.00 0.00 O ATOM 0 H TYR A 860 2.453 -4.732 1.863 1.00 0.00 H new ATOM 0 HA TYR A 860 4.816 -3.192 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 860 4.646 -5.663 0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 860 3.353 -5.524 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 860 3.878 -4.038 -2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 860 6.914 -5.708 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 860 5.544 -3.719 -4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 860 8.576 -5.413 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 860 8.971 -4.689 -3.657 1.00 0.00 H new ATOM 895 N GLU A 861 2.244 -3.061 -0.920 1.00 0.00 N ATOM 896 CA GLU A 861 1.701 -2.181 -1.994 1.00 0.00 C ATOM 897 C GLU A 861 1.888 -0.755 -1.506 1.00 0.00 C ATOM 898 O GLU A 861 2.371 0.109 -2.207 1.00 0.00 O ATOM 899 CB GLU A 861 0.223 -2.540 -2.118 1.00 0.00 C ATOM 900 CG GLU A 861 0.084 -3.829 -2.932 1.00 0.00 C ATOM 901 CD GLU A 861 0.085 -5.033 -1.989 1.00 0.00 C ATOM 902 OE1 GLU A 861 1.158 -5.539 -1.708 1.00 0.00 O ATOM 903 OE2 GLU A 861 -0.988 -5.426 -1.564 1.00 0.00 O ATOM 0 H GLU A 861 1.660 -3.856 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 861 2.187 -2.295 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 861 -0.216 -2.671 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 861 -0.321 -1.729 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 861 -0.840 -3.808 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 861 0.905 -3.912 -3.645 1.00 0.00 H new ATOM 910 N ARG A 862 1.570 -0.548 -0.258 1.00 0.00 N ATOM 911 CA ARG A 862 1.785 0.788 0.366 1.00 0.00 C ATOM 912 C ARG A 862 3.284 1.083 0.389 1.00 0.00 C ATOM 913 O ARG A 862 3.718 2.179 0.108 1.00 0.00 O ATOM 914 CB ARG A 862 1.275 0.652 1.797 1.00 0.00 C ATOM 915 CG ARG A 862 1.870 1.768 2.671 1.00 0.00 C ATOM 916 CD ARG A 862 3.045 1.212 3.481 1.00 0.00 C ATOM 917 NE ARG A 862 4.012 2.340 3.579 1.00 0.00 N ATOM 918 CZ ARG A 862 4.610 2.589 4.712 1.00 0.00 C ATOM 919 NH1 ARG A 862 4.450 3.746 5.294 1.00 0.00 N ATOM 920 NH2 ARG A 862 5.368 1.680 5.263 1.00 0.00 N ATOM 0 H ARG A 862 1.168 -1.252 0.361 1.00 0.00 H new ATOM 0 HA ARG A 862 1.278 1.588 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 862 0.187 0.708 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 862 1.550 -0.323 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 862 2.205 2.595 2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 862 1.108 2.165 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 862 2.723 0.881 4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 862 3.493 0.350 2.987 1.00 0.00 H new ATOM 0 HE ARG A 862 4.207 2.918 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 862 3.857 4.456 4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 862 4.917 3.940 6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 862 5.493 0.776 4.808 1.00 0.00 H new ATOM 0 HH22 ARG A 862 5.836 1.874 6.148 1.00 0.00 H new ATOM 934 N ALA A 863 4.076 0.108 0.736 1.00 0.00 N ATOM 935 CA ALA A 863 5.550 0.339 0.781 1.00 0.00 C ATOM 936 C ALA A 863 6.105 0.548 -0.632 1.00 0.00 C ATOM 937 O ALA A 863 7.146 1.159 -0.825 1.00 0.00 O ATOM 938 CB ALA A 863 6.136 -0.927 1.407 1.00 0.00 C ATOM 0 H ALA A 863 3.772 -0.832 0.989 1.00 0.00 H new ATOM 0 HA ALA A 863 5.805 1.231 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 863 7.220 -0.832 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 863 5.722 -1.064 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 863 5.885 -1.789 0.788 1.00 0.00 H new ATOM 944 N ARG A 864 5.384 0.126 -1.629 1.00 0.00 N ATOM 945 CA ARG A 864 5.852 0.363 -3.020 1.00 0.00 C ATOM 946 C ARG A 864 5.311 1.724 -3.357 1.00 0.00 C ATOM 947 O ARG A 864 5.975 2.600 -3.872 1.00 0.00 O ATOM 948 CB ARG A 864 5.229 -0.741 -3.879 1.00 0.00 C ATOM 949 CG ARG A 864 6.344 -1.508 -4.597 1.00 0.00 C ATOM 950 CD ARG A 864 7.137 -0.552 -5.493 1.00 0.00 C ATOM 951 NE ARG A 864 7.385 -1.317 -6.746 1.00 0.00 N ATOM 952 CZ ARG A 864 8.609 -1.558 -7.132 1.00 0.00 C ATOM 953 NH1 ARG A 864 9.129 -0.876 -8.116 1.00 0.00 N ATOM 954 NH2 ARG A 864 9.312 -2.481 -6.535 1.00 0.00 N ATOM 0 H ARG A 864 4.497 -0.370 -1.543 1.00 0.00 H new ATOM 0 HA ARG A 864 6.931 0.338 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 864 4.648 -1.420 -3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 864 4.542 -0.309 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 864 7.008 -1.971 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 864 5.917 -2.313 -5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 864 6.575 0.360 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 864 8.073 -0.253 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 864 6.599 -1.653 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 864 8.579 -0.155 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 864 10.085 -1.064 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 864 8.905 -3.015 -5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 864 10.268 -2.669 -6.837 1.00 0.00 H new ATOM 968 N VAL A 865 4.097 1.896 -2.942 1.00 0.00 N ATOM 969 CA VAL A 865 3.395 3.182 -3.062 1.00 0.00 C ATOM 970 C VAL A 865 4.310 4.249 -2.482 1.00 0.00 C ATOM 971 O VAL A 865 4.784 5.105 -3.163 1.00 0.00 O ATOM 972 CB VAL A 865 2.192 2.931 -2.153 1.00 0.00 C ATOM 973 CG1 VAL A 865 1.841 4.150 -1.324 1.00 0.00 C ATOM 974 CG2 VAL A 865 1.013 2.509 -2.984 1.00 0.00 C ATOM 0 H VAL A 865 3.542 1.160 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 865 3.118 3.502 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 865 2.457 2.135 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 865 0.981 3.926 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 865 2.690 4.420 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 865 1.599 4.982 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 865 0.156 2.330 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 865 0.770 3.297 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 865 1.257 1.594 -3.523 1.00 0.00 H new ATOM 984 N LEU A 866 4.572 4.128 -1.215 1.00 0.00 N ATOM 985 CA LEU A 866 5.483 5.047 -0.494 1.00 0.00 C ATOM 986 C LEU A 866 6.656 5.315 -1.406 1.00 0.00 C ATOM 987 O LEU A 866 7.107 6.430 -1.556 1.00 0.00 O ATOM 988 CB LEU A 866 5.896 4.260 0.769 1.00 0.00 C ATOM 989 CG LEU A 866 7.354 4.553 1.167 1.00 0.00 C ATOM 990 CD1 LEU A 866 7.457 4.647 2.691 1.00 0.00 C ATOM 991 CD2 LEU A 866 8.259 3.422 0.674 1.00 0.00 C ATOM 0 H LEU A 866 4.173 3.397 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 866 5.050 6.008 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 866 5.233 4.521 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 866 5.775 3.192 0.589 1.00 0.00 H new ATOM 0 HG LEU A 866 7.667 5.495 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 866 8.489 4.854 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 866 6.814 5.450 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 866 7.142 3.703 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 866 9.291 3.632 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 866 7.943 2.481 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 866 8.189 3.346 -0.411 1.00 0.00 H new ATOM 1003 N GLY A 867 7.124 4.295 -2.062 1.00 0.00 N ATOM 1004 CA GLY A 867 8.227 4.516 -3.010 1.00 0.00 C ATOM 1005 C GLY A 867 7.727 5.454 -4.099 1.00 0.00 C ATOM 1006 O GLY A 867 8.355 6.435 -4.410 1.00 0.00 O ATOM 0 H GLY A 867 6.792 3.334 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 867 9.088 4.948 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 867 8.554 3.570 -3.442 1.00 0.00 H new ATOM 1010 N THR A 868 6.582 5.164 -4.655 1.00 0.00 N ATOM 1011 CA THR A 868 6.015 6.050 -5.745 1.00 0.00 C ATOM 1012 C THR A 868 5.440 7.316 -5.165 1.00 0.00 C ATOM 1013 O THR A 868 5.325 8.322 -5.833 1.00 0.00 O ATOM 1014 CB THR A 868 4.900 5.249 -6.384 1.00 0.00 C ATOM 1015 OG1 THR A 868 3.755 5.258 -5.543 1.00 0.00 O ATOM 1016 CG2 THR A 868 5.390 3.841 -6.562 1.00 0.00 C ATOM 0 H THR A 868 6.007 4.358 -4.411 1.00 0.00 H new ATOM 0 HA THR A 868 6.790 6.335 -6.456 1.00 0.00 H new ATOM 0 HB THR A 868 4.624 5.681 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 868 4.038 5.298 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 868 4.606 3.238 -7.021 1.00 0.00 H new ATOM 0 HG22 THR A 868 6.271 3.841 -7.204 1.00 0.00 H new ATOM 0 HG23 THR A 868 5.649 3.420 -5.590 1.00 0.00 H new ATOM 1024 N ARG A 869 5.146 7.288 -3.914 1.00 0.00 N ATOM 1025 CA ARG A 869 4.656 8.506 -3.254 1.00 0.00 C ATOM 1026 C ARG A 869 5.902 9.327 -3.091 1.00 0.00 C ATOM 1027 O ARG A 869 5.948 10.489 -3.396 1.00 0.00 O ATOM 1028 CB ARG A 869 4.091 8.057 -1.904 1.00 0.00 C ATOM 1029 CG ARG A 869 2.585 8.323 -1.866 1.00 0.00 C ATOM 1030 CD ARG A 869 1.860 7.309 -2.756 1.00 0.00 C ATOM 1031 NE ARG A 869 1.202 8.125 -3.814 1.00 0.00 N ATOM 1032 CZ ARG A 869 -0.087 8.043 -3.998 1.00 0.00 C ATOM 1033 NH1 ARG A 869 -0.699 6.900 -3.845 1.00 0.00 N ATOM 1034 NH2 ARG A 869 -0.766 9.106 -4.335 1.00 0.00 N ATOM 0 H ARG A 869 5.224 6.467 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 869 3.883 9.066 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 869 4.287 6.996 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 869 4.586 8.593 -1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.219 8.250 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 869 2.376 9.337 -2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 869 2.559 6.592 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 869 1.128 6.737 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 869 1.760 8.749 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 869 -0.169 6.069 -3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 869 -1.707 6.838 -3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 869 -0.289 9.999 -4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 869 -1.774 9.043 -4.479 1.00 0.00 H new ATOM 1048 N ALA A 870 6.932 8.665 -2.645 1.00 0.00 N ATOM 1049 CA ALA A 870 8.253 9.327 -2.475 1.00 0.00 C ATOM 1050 C ALA A 870 8.838 9.831 -3.809 1.00 0.00 C ATOM 1051 O ALA A 870 9.492 10.848 -3.836 1.00 0.00 O ATOM 1052 CB ALA A 870 9.145 8.235 -1.894 1.00 0.00 C ATOM 0 H ALA A 870 6.913 7.678 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 870 8.172 10.210 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 870 10.147 8.631 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 870 8.732 7.895 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 870 9.194 7.397 -2.589 1.00 0.00 H new ATOM 1058 N LEU A 871 8.609 9.169 -4.917 1.00 0.00 N ATOM 1059 CA LEU A 871 9.178 9.717 -6.208 1.00 0.00 C ATOM 1060 C LEU A 871 8.175 10.660 -6.801 1.00 0.00 C ATOM 1061 O LEU A 871 8.530 11.689 -7.348 1.00 0.00 O ATOM 1062 CB LEU A 871 9.521 8.586 -7.208 1.00 0.00 C ATOM 1063 CG LEU A 871 9.072 7.215 -6.723 1.00 0.00 C ATOM 1064 CD1 LEU A 871 8.697 6.354 -7.928 1.00 0.00 C ATOM 1065 CD2 LEU A 871 10.222 6.553 -5.955 1.00 0.00 C ATOM 0 H LEU A 871 8.074 8.304 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 871 10.110 10.241 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 871 9.049 8.800 -8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 871 10.598 8.572 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 871 8.207 7.317 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 871 8.375 5.370 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 871 7.886 6.831 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 871 9.563 6.245 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 871 9.907 5.570 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 871 11.084 6.445 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 871 10.493 7.173 -5.101 1.00 0.00 H new ATOM 1077 N GLN A 872 6.917 10.348 -6.667 1.00 0.00 N ATOM 1078 CA GLN A 872 5.891 11.281 -7.194 1.00 0.00 C ATOM 1079 C GLN A 872 6.314 12.695 -6.790 1.00 0.00 C ATOM 1080 O GLN A 872 6.666 13.525 -7.606 1.00 0.00 O ATOM 1081 CB GLN A 872 4.613 10.860 -6.476 1.00 0.00 C ATOM 1082 CG GLN A 872 3.763 9.986 -7.404 1.00 0.00 C ATOM 1083 CD GLN A 872 2.703 9.252 -6.583 1.00 0.00 C ATOM 1084 OE1 GLN A 872 2.279 9.731 -5.550 1.00 0.00 O ATOM 1085 NE2 GLN A 872 2.252 8.101 -7.001 1.00 0.00 N ATOM 0 H GLN A 872 6.561 9.502 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 872 5.762 11.262 -8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 872 4.859 10.310 -5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 872 4.048 11.741 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 872 3.286 10.603 -8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 872 4.396 9.268 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 872 2.608 7.698 -7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 872 1.544 7.604 -6.461 1.00 0.00 H new ATOM 1094 N ILE A 873 6.325 12.931 -5.518 1.00 0.00 N ATOM 1095 CA ILE A 873 6.769 14.241 -4.967 1.00 0.00 C ATOM 1096 C ILE A 873 8.217 14.495 -5.289 1.00 0.00 C ATOM 1097 O ILE A 873 8.619 15.620 -5.500 1.00 0.00 O ATOM 1098 CB ILE A 873 6.655 14.101 -3.461 1.00 0.00 C ATOM 1099 CG1 ILE A 873 6.981 12.655 -3.043 1.00 0.00 C ATOM 1100 CG2 ILE A 873 5.246 14.481 -3.065 1.00 0.00 C ATOM 1101 CD1 ILE A 873 8.311 12.617 -2.311 1.00 0.00 C ATOM 0 H ILE A 873 6.037 12.254 -4.812 1.00 0.00 H new ATOM 0 HA ILE A 873 6.173 15.054 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 873 7.365 14.756 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 873 6.191 12.266 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 873 7.022 12.013 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 873 5.135 14.390 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 873 5.049 15.510 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 873 4.537 13.817 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 873 8.536 11.591 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 873 9.098 12.988 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 873 8.255 13.244 -1.421 1.00 0.00 H new ATOM 1113 N ALA A 874 9.019 13.466 -5.332 1.00 0.00 N ATOM 1114 CA ALA A 874 10.451 13.695 -5.649 1.00 0.00 C ATOM 1115 C ALA A 874 10.537 14.468 -6.951 1.00 0.00 C ATOM 1116 O ALA A 874 11.535 15.089 -7.257 1.00 0.00 O ATOM 1117 CB ALA A 874 11.091 12.321 -5.758 1.00 0.00 C ATOM 0 H ALA A 874 8.749 12.497 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 874 10.968 14.278 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 874 12.150 12.430 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 874 10.981 11.792 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 874 10.602 11.754 -6.550 1.00 0.00 H new ATOM 1123 N MET A 875 9.459 14.503 -7.678 1.00 0.00 N ATOM 1124 CA MET A 875 9.451 15.320 -8.910 1.00 0.00 C ATOM 1125 C MET A 875 8.848 16.660 -8.506 1.00 0.00 C ATOM 1126 O MET A 875 9.499 17.685 -8.488 1.00 0.00 O ATOM 1127 CB MET A 875 8.548 14.575 -9.898 1.00 0.00 C ATOM 1128 CG MET A 875 8.411 15.393 -11.184 1.00 0.00 C ATOM 1129 SD MET A 875 6.750 15.167 -11.870 1.00 0.00 S ATOM 1130 CE MET A 875 7.257 14.611 -13.516 1.00 0.00 C ATOM 0 H MET A 875 8.593 14.005 -7.472 1.00 0.00 H new ATOM 0 HA MET A 875 10.430 15.480 -9.363 1.00 0.00 H new ATOM 0 HB2 MET A 875 8.968 13.594 -10.122 1.00 0.00 H new ATOM 0 HB3 MET A 875 7.566 14.408 -9.455 1.00 0.00 H new ATOM 0 HG2 MET A 875 8.590 16.448 -10.977 1.00 0.00 H new ATOM 0 HG3 MET A 875 9.161 15.078 -11.909 1.00 0.00 H new ATOM 0 HE1 MET A 875 6.373 14.410 -14.121 1.00 0.00 H new ATOM 0 HE2 MET A 875 7.855 15.387 -13.994 1.00 0.00 H new ATOM 0 HE3 MET A 875 7.849 13.701 -13.426 1.00 0.00 H new ATOM 1140 N CYS A 876 7.613 16.615 -8.113 1.00 0.00 N ATOM 1141 CA CYS A 876 6.907 17.827 -7.615 1.00 0.00 C ATOM 1142 C CYS A 876 6.080 17.423 -6.398 1.00 0.00 C ATOM 1143 O CYS A 876 6.492 17.584 -5.266 1.00 0.00 O ATOM 1144 CB CYS A 876 6.028 18.302 -8.777 1.00 0.00 C ATOM 1145 SG CYS A 876 5.040 19.726 -8.253 1.00 0.00 S ATOM 0 H CYS A 876 7.045 15.768 -8.115 1.00 0.00 H new ATOM 0 HA CYS A 876 7.577 18.630 -7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 876 6.651 18.573 -9.629 1.00 0.00 H new ATOM 0 HB3 CYS A 876 5.374 17.494 -9.105 1.00 0.00 H new ATOM 0 HG CYS A 876 4.298 20.127 -9.242 1.00 0.00 H new ATOM 1151 N ALA A 877 4.921 16.862 -6.632 1.00 0.00 N ATOM 1152 CA ALA A 877 4.063 16.406 -5.498 1.00 0.00 C ATOM 1153 C ALA A 877 2.707 15.825 -5.955 1.00 0.00 C ATOM 1154 O ALA A 877 1.680 16.205 -5.428 1.00 0.00 O ATOM 1155 CB ALA A 877 3.848 17.633 -4.624 1.00 0.00 C ATOM 0 H ALA A 877 4.532 16.700 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 877 4.555 15.592 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 877 3.224 17.367 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 877 4.811 18.000 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 877 3.355 18.412 -5.205 1.00 0.00 H new ATOM 1161 N PRO A 878 2.733 14.875 -6.869 1.00 0.00 N ATOM 1162 CA PRO A 878 1.478 14.205 -7.305 1.00 0.00 C ATOM 1163 C PRO A 878 0.889 13.471 -6.097 1.00 0.00 C ATOM 1164 O PRO A 878 -0.243 13.030 -6.089 1.00 0.00 O ATOM 1165 CB PRO A 878 1.975 13.197 -8.334 1.00 0.00 C ATOM 1166 CG PRO A 878 3.503 13.313 -8.436 1.00 0.00 C ATOM 1167 CD PRO A 878 3.984 14.426 -7.506 1.00 0.00 C ATOM 0 HA PRO A 878 0.715 14.876 -7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 878 1.691 12.186 -8.041 1.00 0.00 H new ATOM 0 HB3 PRO A 878 1.516 13.389 -9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 878 3.971 12.367 -8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 878 3.796 13.529 -9.463 1.00 0.00 H new ATOM 0 HD2 PRO A 878 4.703 14.060 -6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 878 4.471 15.232 -8.056 1.00 0.00 H new ATOM 1174 N VAL A 879 1.698 13.345 -5.084 1.00 0.00 N ATOM 1175 CA VAL A 879 1.311 12.654 -3.828 1.00 0.00 C ATOM 1176 C VAL A 879 0.007 13.255 -3.289 1.00 0.00 C ATOM 1177 O VAL A 879 -0.569 14.148 -3.879 1.00 0.00 O ATOM 1178 CB VAL A 879 2.535 12.955 -2.931 1.00 0.00 C ATOM 1179 CG1 VAL A 879 2.235 12.864 -1.426 1.00 0.00 C ATOM 1180 CG2 VAL A 879 3.664 11.974 -3.292 1.00 0.00 C ATOM 0 H VAL A 879 2.651 13.709 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 879 1.106 11.587 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 879 2.828 13.988 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 879 3.140 13.087 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 879 1.458 13.582 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 879 1.895 11.857 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 879 4.534 12.175 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 879 3.325 10.952 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 879 3.934 12.100 -4.341 1.00 0.00 H new ATOM 1190 N MET A 880 -0.472 12.744 -2.199 1.00 0.00 N ATOM 1191 CA MET A 880 -1.765 13.242 -1.629 1.00 0.00 C ATOM 1192 C MET A 880 -1.516 14.352 -0.613 1.00 0.00 C ATOM 1193 O MET A 880 -2.382 14.712 0.159 1.00 0.00 O ATOM 1194 CB MET A 880 -2.384 12.026 -0.947 1.00 0.00 C ATOM 1195 CG MET A 880 -3.902 12.206 -0.859 1.00 0.00 C ATOM 1196 SD MET A 880 -4.622 12.087 -2.515 1.00 0.00 S ATOM 1197 CE MET A 880 -5.890 13.360 -2.302 1.00 0.00 C ATOM 0 H MET A 880 -0.027 11.996 -1.667 1.00 0.00 H new ATOM 0 HA MET A 880 -2.415 13.663 -2.396 1.00 0.00 H new ATOM 0 HB2 MET A 880 -2.146 11.122 -1.507 1.00 0.00 H new ATOM 0 HB3 MET A 880 -1.963 11.902 0.051 1.00 0.00 H new ATOM 0 HG2 MET A 880 -4.332 11.444 -0.209 1.00 0.00 H new ATOM 0 HG3 MET A 880 -4.139 13.174 -0.417 1.00 0.00 H new ATOM 0 HE1 MET A 880 -6.466 13.457 -3.222 1.00 0.00 H new ATOM 0 HE2 MET A 880 -6.555 13.078 -1.485 1.00 0.00 H new ATOM 0 HE3 MET A 880 -5.414 14.313 -2.070 1.00 0.00 H new ATOM 1207 N VAL A 881 -0.349 14.917 -0.645 1.00 0.00 N ATOM 1208 CA VAL A 881 -0.006 16.026 0.259 1.00 0.00 C ATOM 1209 C VAL A 881 0.930 16.945 -0.520 1.00 0.00 C ATOM 1210 O VAL A 881 1.437 16.584 -1.564 1.00 0.00 O ATOM 1211 CB VAL A 881 0.673 15.394 1.484 1.00 0.00 C ATOM 1212 CG1 VAL A 881 -0.360 14.588 2.291 1.00 0.00 C ATOM 1213 CG2 VAL A 881 1.802 14.461 1.040 1.00 0.00 C ATOM 0 H VAL A 881 0.400 14.644 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 881 -0.860 16.611 0.600 1.00 0.00 H new ATOM 0 HB VAL A 881 1.087 16.189 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 881 0.125 14.141 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -1.160 15.250 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -0.778 13.801 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 881 2.275 14.019 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 881 1.394 13.670 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 881 2.542 15.028 0.475 1.00 0.00 H new ATOM 1223 N GLU A 882 1.128 18.127 -0.055 1.00 0.00 N ATOM 1224 CA GLU A 882 1.997 19.086 -0.804 1.00 0.00 C ATOM 1225 C GLU A 882 3.078 19.687 0.096 1.00 0.00 C ATOM 1226 O GLU A 882 2.995 20.833 0.496 1.00 0.00 O ATOM 1227 CB GLU A 882 1.042 20.180 -1.277 1.00 0.00 C ATOM 1228 CG GLU A 882 1.548 20.764 -2.598 1.00 0.00 C ATOM 1229 CD GLU A 882 0.438 21.592 -3.248 1.00 0.00 C ATOM 1230 OE1 GLU A 882 -0.585 21.017 -3.580 1.00 0.00 O ATOM 1231 OE2 GLU A 882 0.631 22.786 -3.403 1.00 0.00 O ATOM 0 H GLU A 882 0.731 18.486 0.813 1.00 0.00 H new ATOM 0 HA GLU A 882 2.522 18.594 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 882 0.040 19.771 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 882 0.970 20.965 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 882 2.425 21.387 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 882 1.858 19.962 -3.268 1.00 0.00 H new ATOM 1238 N LEU A 883 4.099 18.937 0.410 1.00 0.00 N ATOM 1239 CA LEU A 883 5.181 19.487 1.273 1.00 0.00 C ATOM 1240 C LEU A 883 5.827 20.710 0.596 1.00 0.00 C ATOM 1241 O LEU A 883 5.443 21.836 0.850 1.00 0.00 O ATOM 1242 CB LEU A 883 6.187 18.343 1.430 1.00 0.00 C ATOM 1243 CG LEU A 883 7.366 18.808 2.290 1.00 0.00 C ATOM 1244 CD1 LEU A 883 6.931 18.885 3.754 1.00 0.00 C ATOM 1245 CD2 LEU A 883 8.519 17.812 2.153 1.00 0.00 C ATOM 0 H LEU A 883 4.230 17.972 0.108 1.00 0.00 H new ATOM 0 HA LEU A 883 4.812 19.827 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 883 5.704 17.482 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 883 6.543 18.021 0.451 1.00 0.00 H new ATOM 0 HG LEU A 883 7.693 19.793 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 883 7.770 19.216 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 883 6.108 19.593 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 883 6.604 17.901 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 883 9.359 18.141 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 883 8.191 16.828 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 883 8.830 17.756 1.110 1.00 0.00 H new ATOM 1257 N GLU A 884 6.806 20.509 -0.255 1.00 0.00 N ATOM 1258 CA GLU A 884 7.463 21.677 -0.924 1.00 0.00 C ATOM 1259 C GLU A 884 7.859 21.359 -2.378 1.00 0.00 C ATOM 1260 O GLU A 884 8.441 22.185 -3.055 1.00 0.00 O ATOM 1261 CB GLU A 884 8.714 21.943 -0.088 1.00 0.00 C ATOM 1262 CG GLU A 884 8.655 23.358 0.495 1.00 0.00 C ATOM 1263 CD GLU A 884 8.001 23.314 1.877 1.00 0.00 C ATOM 1264 OE1 GLU A 884 8.502 22.594 2.725 1.00 0.00 O ATOM 1265 OE2 GLU A 884 7.010 24.000 2.063 1.00 0.00 O ATOM 0 H GLU A 884 7.176 19.594 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 884 6.791 22.534 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 884 8.788 21.211 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 884 9.606 21.830 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 884 9.660 23.774 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 884 8.087 24.012 -0.167 1.00 0.00 H new ATOM 1272 N GLY A 885 7.587 20.174 -2.854 1.00 0.00 N ATOM 1273 CA GLY A 885 7.988 19.816 -4.240 1.00 0.00 C ATOM 1274 C GLY A 885 8.943 18.619 -4.172 1.00 0.00 C ATOM 1275 O GLY A 885 9.146 17.925 -5.145 1.00 0.00 O ATOM 0 H GLY A 885 7.103 19.438 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 885 7.110 19.568 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 885 8.474 20.662 -4.725 1.00 0.00 H new ATOM 1279 N GLU A 886 9.519 18.387 -3.006 1.00 0.00 N ATOM 1280 CA GLU A 886 10.474 17.250 -2.780 1.00 0.00 C ATOM 1281 C GLU A 886 11.513 17.679 -1.751 1.00 0.00 C ATOM 1282 O GLU A 886 12.167 18.694 -1.901 1.00 0.00 O ATOM 1283 CB GLU A 886 11.166 16.947 -4.115 1.00 0.00 C ATOM 1284 CG GLU A 886 12.483 16.196 -3.872 1.00 0.00 C ATOM 1285 CD GLU A 886 13.120 15.829 -5.211 1.00 0.00 C ATOM 1286 OE1 GLU A 886 13.367 16.731 -5.995 1.00 0.00 O ATOM 1287 OE2 GLU A 886 13.352 14.652 -5.432 1.00 0.00 O ATOM 0 H GLU A 886 9.358 18.960 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 886 9.951 16.365 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 886 10.509 16.348 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 886 11.362 17.876 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 886 13.165 16.817 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 886 12.297 15.295 -3.288 1.00 0.00 H new ATOM 1294 N THR A 887 11.684 16.911 -0.721 1.00 0.00 N ATOM 1295 CA THR A 887 12.688 17.255 0.303 1.00 0.00 C ATOM 1296 C THR A 887 12.957 15.980 1.063 1.00 0.00 C ATOM 1297 O THR A 887 14.082 15.558 1.249 1.00 0.00 O ATOM 1298 CB THR A 887 12.015 18.301 1.194 1.00 0.00 C ATOM 1299 OG1 THR A 887 11.752 19.470 0.431 1.00 0.00 O ATOM 1300 CG2 THR A 887 12.934 18.650 2.367 1.00 0.00 C ATOM 0 H THR A 887 11.164 16.051 -0.545 1.00 0.00 H new ATOM 0 HA THR A 887 13.627 17.648 -0.087 1.00 0.00 H new ATOM 0 HB THR A 887 11.079 17.899 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 887 12.316 19.472 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 887 12.451 19.395 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 887 13.134 17.752 2.952 1.00 0.00 H new ATOM 0 HG23 THR A 887 13.873 19.051 1.986 1.00 0.00 H new ATOM 1308 N ASP A 888 11.899 15.351 1.471 1.00 0.00 N ATOM 1309 CA ASP A 888 12.019 14.081 2.187 1.00 0.00 C ATOM 1310 C ASP A 888 12.016 12.917 1.193 1.00 0.00 C ATOM 1311 O ASP A 888 11.294 12.956 0.216 1.00 0.00 O ATOM 1312 CB ASP A 888 10.784 14.039 3.055 1.00 0.00 C ATOM 1313 CG ASP A 888 11.070 13.219 4.315 1.00 0.00 C ATOM 1314 OD1 ASP A 888 10.976 12.005 4.241 1.00 0.00 O ATOM 1315 OD2 ASP A 888 11.376 13.819 5.332 1.00 0.00 O ATOM 0 H ASP A 888 10.943 15.677 1.331 1.00 0.00 H new ATOM 0 HA ASP A 888 12.941 13.999 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 888 10.484 15.051 3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 888 9.954 13.598 2.503 1.00 0.00 H new ATOM 1320 N PRO A 889 12.804 11.908 1.463 1.00 0.00 N ATOM 1321 CA PRO A 889 12.849 10.738 0.562 1.00 0.00 C ATOM 1322 C PRO A 889 11.534 9.943 0.628 1.00 0.00 C ATOM 1323 O PRO A 889 11.333 9.027 -0.146 1.00 0.00 O ATOM 1324 CB PRO A 889 14.007 9.916 1.141 1.00 0.00 C ATOM 1325 CG PRO A 889 14.567 10.652 2.373 1.00 0.00 C ATOM 1326 CD PRO A 889 13.694 11.881 2.648 1.00 0.00 C ATOM 0 HA PRO A 889 12.982 11.004 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 889 13.661 8.921 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 889 14.788 9.784 0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 889 14.572 9.990 3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 889 15.600 10.953 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 889 13.132 11.781 3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 889 14.288 12.791 2.731 1.00 0.00 H new ATOM 1333 N LEU A 890 10.638 10.264 1.546 1.00 0.00 N ATOM 1334 CA LEU A 890 9.366 9.496 1.640 1.00 0.00 C ATOM 1335 C LEU A 890 8.435 10.025 2.755 1.00 0.00 C ATOM 1336 O LEU A 890 7.452 9.388 3.068 1.00 0.00 O ATOM 1337 CB LEU A 890 9.785 8.031 1.915 1.00 0.00 C ATOM 1338 CG LEU A 890 10.451 7.852 3.299 1.00 0.00 C ATOM 1339 CD1 LEU A 890 11.569 8.871 3.525 1.00 0.00 C ATOM 1340 CD2 LEU A 890 9.408 8.007 4.400 1.00 0.00 C ATOM 0 H LEU A 890 10.742 11.020 2.223 1.00 0.00 H new ATOM 0 HA LEU A 890 8.790 9.593 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 890 8.907 7.388 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 890 10.476 7.703 1.138 1.00 0.00 H new ATOM 0 HG LEU A 890 10.885 6.853 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 890 12.012 8.713 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 890 12.334 8.748 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 890 11.159 9.879 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 890 9.884 7.880 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 890 8.962 9.000 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 890 8.632 7.252 4.274 1.00 0.00 H new ATOM 1352 N LEU A 891 8.691 11.186 3.338 1.00 0.00 N ATOM 1353 CA LEU A 891 7.758 11.714 4.393 1.00 0.00 C ATOM 1354 C LEU A 891 6.373 11.627 3.840 1.00 0.00 C ATOM 1355 O LEU A 891 5.432 11.242 4.482 1.00 0.00 O ATOM 1356 CB LEU A 891 8.164 13.183 4.603 1.00 0.00 C ATOM 1357 CG LEU A 891 6.949 14.105 4.890 1.00 0.00 C ATOM 1358 CD1 LEU A 891 6.104 14.357 3.619 1.00 0.00 C ATOM 1359 CD2 LEU A 891 6.071 13.489 5.988 1.00 0.00 C ATOM 0 H LEU A 891 9.494 11.779 3.130 1.00 0.00 H new ATOM 0 HA LEU A 891 7.801 11.165 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 891 8.867 13.246 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 891 8.686 13.542 3.716 1.00 0.00 H new ATOM 0 HG LEU A 891 7.336 15.067 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 891 5.264 15.007 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 891 6.723 14.835 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 891 5.729 13.407 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 891 5.221 14.142 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 891 5.711 12.513 5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 891 6.657 13.373 6.900 1.00 0.00 H new ATOM 1371 N ILE A 892 6.294 11.996 2.627 1.00 0.00 N ATOM 1372 CA ILE A 892 5.021 11.980 1.892 1.00 0.00 C ATOM 1373 C ILE A 892 4.529 10.567 1.816 1.00 0.00 C ATOM 1374 O ILE A 892 3.356 10.295 1.921 1.00 0.00 O ATOM 1375 CB ILE A 892 5.430 12.452 0.521 1.00 0.00 C ATOM 1376 CG1 ILE A 892 5.127 13.927 0.406 1.00 0.00 C ATOM 1377 CG2 ILE A 892 4.694 11.674 -0.557 1.00 0.00 C ATOM 1378 CD1 ILE A 892 6.269 14.573 -0.340 1.00 0.00 C ATOM 0 H ILE A 892 7.090 12.325 2.081 1.00 0.00 H new ATOM 0 HA ILE A 892 4.232 12.583 2.341 1.00 0.00 H new ATOM 0 HB ILE A 892 6.498 12.283 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 892 4.187 14.084 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 892 5.015 14.373 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 892 5.004 12.031 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 892 4.929 10.614 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 892 3.620 11.819 -0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 892 6.080 15.642 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 892 7.197 14.419 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 892 6.356 14.126 -1.330 1.00 0.00 H new ATOM 1390 N ALA A 893 5.433 9.668 1.630 1.00 0.00 N ATOM 1391 CA ALA A 893 4.996 8.246 1.543 1.00 0.00 C ATOM 1392 C ALA A 893 4.509 7.807 2.924 1.00 0.00 C ATOM 1393 O ALA A 893 3.690 6.913 3.072 1.00 0.00 O ATOM 1394 CB ALA A 893 6.231 7.458 1.143 1.00 0.00 C ATOM 0 H ALA A 893 6.434 9.838 1.535 1.00 0.00 H new ATOM 0 HA ALA A 893 4.188 8.094 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 893 5.978 6.401 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 893 6.597 7.819 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 893 7.006 7.588 1.898 1.00 0.00 H new ATOM 1400 N MET A 894 4.941 8.512 3.927 1.00 0.00 N ATOM 1401 CA MET A 894 4.466 8.232 5.314 1.00 0.00 C ATOM 1402 C MET A 894 3.217 9.051 5.527 1.00 0.00 C ATOM 1403 O MET A 894 2.195 8.554 5.913 1.00 0.00 O ATOM 1404 CB MET A 894 5.543 8.721 6.290 1.00 0.00 C ATOM 1405 CG MET A 894 6.930 8.315 5.818 1.00 0.00 C ATOM 1406 SD MET A 894 8.064 8.306 7.232 1.00 0.00 S ATOM 1407 CE MET A 894 8.525 10.058 7.173 1.00 0.00 C ATOM 0 H MET A 894 5.609 9.279 3.849 1.00 0.00 H new ATOM 0 HA MET A 894 4.271 7.171 5.467 1.00 0.00 H new ATOM 0 HB2 MET A 894 5.489 9.806 6.383 1.00 0.00 H new ATOM 0 HB3 MET A 894 5.356 8.307 7.281 1.00 0.00 H new ATOM 0 HG2 MET A 894 6.896 7.327 5.358 1.00 0.00 H new ATOM 0 HG3 MET A 894 7.285 9.009 5.056 1.00 0.00 H new ATOM 0 HE1 MET A 894 9.071 10.321 8.079 1.00 0.00 H new ATOM 0 HE2 MET A 894 9.156 10.239 6.303 1.00 0.00 H new ATOM 0 HE3 MET A 894 7.625 10.669 7.102 1.00 0.00 H new ATOM 1417 N LYS A 895 3.302 10.316 5.238 1.00 0.00 N ATOM 1418 CA LYS A 895 2.120 11.199 5.377 1.00 0.00 C ATOM 1419 C LYS A 895 0.993 10.585 4.559 1.00 0.00 C ATOM 1420 O LYS A 895 -0.119 10.432 5.021 1.00 0.00 O ATOM 1421 CB LYS A 895 2.569 12.547 4.798 1.00 0.00 C ATOM 1422 CG LYS A 895 1.351 13.392 4.421 1.00 0.00 C ATOM 1423 CD LYS A 895 0.566 13.752 5.684 1.00 0.00 C ATOM 1424 CE LYS A 895 1.162 15.014 6.314 1.00 0.00 C ATOM 1425 NZ LYS A 895 0.737 14.967 7.740 1.00 0.00 N ATOM 0 H LYS A 895 4.149 10.779 4.908 1.00 0.00 H new ATOM 0 HA LYS A 895 1.765 11.321 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 895 3.178 13.080 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 895 3.194 12.384 3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 895 1.670 14.299 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 895 0.714 12.841 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 895 -0.483 13.916 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 895 0.602 12.926 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 895 2.248 15.025 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 895 0.793 15.914 5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 895 1.107 15.800 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 895 -0.302 14.965 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 895 1.108 14.103 8.185 1.00 0.00 H new ATOM 1439 N GLU A 896 1.293 10.208 3.348 1.00 0.00 N ATOM 1440 CA GLU A 896 0.260 9.567 2.487 1.00 0.00 C ATOM 1441 C GLU A 896 -0.379 8.393 3.222 1.00 0.00 C ATOM 1442 O GLU A 896 -1.587 8.339 3.363 1.00 0.00 O ATOM 1443 CB GLU A 896 1.009 9.073 1.253 1.00 0.00 C ATOM 1444 CG GLU A 896 0.940 10.131 0.156 1.00 0.00 C ATOM 1445 CD GLU A 896 -0.215 9.807 -0.791 1.00 0.00 C ATOM 1446 OE1 GLU A 896 -1.287 9.493 -0.300 1.00 0.00 O ATOM 1447 OE2 GLU A 896 -0.009 9.880 -1.990 1.00 0.00 O ATOM 0 H GLU A 896 2.211 10.316 2.916 1.00 0.00 H new ATOM 0 HA GLU A 896 -0.540 10.260 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 896 2.048 8.863 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 896 0.572 8.139 0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 896 0.798 11.118 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 896 1.880 10.160 -0.396 1.00 0.00 H new ATOM 1454 N LEU A 897 0.398 7.452 3.710 1.00 0.00 N ATOM 1455 CA LEU A 897 -0.250 6.322 4.437 1.00 0.00 C ATOM 1456 C LEU A 897 -0.759 6.833 5.773 1.00 0.00 C ATOM 1457 O LEU A 897 -1.880 6.591 6.168 1.00 0.00 O ATOM 1458 CB LEU A 897 0.824 5.258 4.639 1.00 0.00 C ATOM 1459 CG LEU A 897 0.229 4.044 5.377 1.00 0.00 C ATOM 1460 CD1 LEU A 897 0.554 4.149 6.868 1.00 0.00 C ATOM 1461 CD2 LEU A 897 -1.298 3.995 5.197 1.00 0.00 C ATOM 0 H LEU A 897 1.415 7.419 3.639 1.00 0.00 H new ATOM 0 HA LEU A 897 -1.093 5.906 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 897 1.226 4.947 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 897 1.654 5.671 5.212 1.00 0.00 H new ATOM 0 HG LEU A 897 0.663 3.135 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 897 0.134 3.291 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 897 1.635 4.164 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 897 0.124 5.066 7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -1.699 3.130 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -1.741 4.905 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -1.537 3.915 4.137 1.00 0.00 H new ATOM 1473 N LYS A 898 0.050 7.587 6.435 1.00 0.00 N ATOM 1474 CA LYS A 898 -0.361 8.200 7.726 1.00 0.00 C ATOM 1475 C LYS A 898 -1.694 8.878 7.526 1.00 0.00 C ATOM 1476 O LYS A 898 -2.500 9.014 8.426 1.00 0.00 O ATOM 1477 CB LYS A 898 0.690 9.262 7.986 1.00 0.00 C ATOM 1478 CG LYS A 898 0.353 10.022 9.269 1.00 0.00 C ATOM 1479 CD LYS A 898 1.627 10.631 9.856 1.00 0.00 C ATOM 1480 CE LYS A 898 2.185 9.707 10.942 1.00 0.00 C ATOM 1481 NZ LYS A 898 3.346 10.443 11.516 1.00 0.00 N ATOM 0 H LYS A 898 0.999 7.814 6.137 1.00 0.00 H new ATOM 0 HA LYS A 898 -0.445 7.478 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 898 1.673 8.800 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 898 0.737 9.953 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 898 -0.373 10.807 9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 898 -0.107 9.348 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 898 2.369 10.775 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 898 1.412 11.614 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 898 1.435 9.497 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 898 2.493 8.748 10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 898 3.781 9.872 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 898 4.047 10.623 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 898 3.022 11.348 11.912 1.00 0.00 H new ATOM 1495 N ALA A 899 -1.915 9.292 6.323 1.00 0.00 N ATOM 1496 CA ALA A 899 -3.192 9.964 5.994 1.00 0.00 C ATOM 1497 C ALA A 899 -4.205 8.891 5.603 1.00 0.00 C ATOM 1498 O ALA A 899 -5.399 9.064 5.740 1.00 0.00 O ATOM 1499 CB ALA A 899 -2.857 10.898 4.826 1.00 0.00 C ATOM 0 H ALA A 899 -1.263 9.195 5.545 1.00 0.00 H new ATOM 0 HA ALA A 899 -3.625 10.531 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -3.755 11.436 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -2.095 11.612 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.483 10.311 3.987 1.00 0.00 H new ATOM 1505 N ARG A 900 -3.721 7.780 5.101 1.00 0.00 N ATOM 1506 CA ARG A 900 -4.614 6.674 4.676 1.00 0.00 C ATOM 1507 C ARG A 900 -5.473 7.208 3.556 1.00 0.00 C ATOM 1508 O ARG A 900 -6.565 6.745 3.289 1.00 0.00 O ATOM 1509 CB ARG A 900 -5.413 6.270 5.935 1.00 0.00 C ATOM 1510 CG ARG A 900 -6.884 6.695 5.831 1.00 0.00 C ATOM 1511 CD ARG A 900 -7.518 6.687 7.224 1.00 0.00 C ATOM 1512 NE ARG A 900 -8.272 5.403 7.298 1.00 0.00 N ATOM 1513 CZ ARG A 900 -9.166 5.227 8.233 1.00 0.00 C ATOM 1514 NH1 ARG A 900 -8.922 4.412 9.222 1.00 0.00 N ATOM 1515 NH2 ARG A 900 -10.302 5.865 8.178 1.00 0.00 N ATOM 0 H ARG A 900 -2.726 7.597 4.969 1.00 0.00 H new ATOM 0 HA ARG A 900 -4.102 5.789 4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -5.354 5.190 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -4.963 6.729 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -6.956 7.691 5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -7.424 6.016 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -6.758 6.744 8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -8.180 7.542 7.361 1.00 0.00 H new ATOM 0 HE ARG A 900 -8.090 4.664 6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -8.033 3.913 9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -9.620 4.274 9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -10.492 6.502 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -11.000 5.727 8.909 1.00 0.00 H new ATOM 1529 N LYS A 901 -4.958 8.198 2.894 1.00 0.00 N ATOM 1530 CA LYS A 901 -5.709 8.797 1.791 1.00 0.00 C ATOM 1531 C LYS A 901 -5.174 8.296 0.460 1.00 0.00 C ATOM 1532 O LYS A 901 -5.801 8.472 -0.558 1.00 0.00 O ATOM 1533 CB LYS A 901 -5.510 10.311 1.923 1.00 0.00 C ATOM 1534 CG LYS A 901 -5.957 10.783 3.312 1.00 0.00 C ATOM 1535 CD LYS A 901 -7.290 10.130 3.677 1.00 0.00 C ATOM 1536 CE LYS A 901 -8.105 11.077 4.562 1.00 0.00 C ATOM 1537 NZ LYS A 901 -9.154 11.635 3.664 1.00 0.00 N ATOM 0 H LYS A 901 -4.045 8.613 3.078 1.00 0.00 H new ATOM 0 HA LYS A 901 -6.766 8.533 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 901 -4.461 10.563 1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 901 -6.082 10.829 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 901 -5.201 10.527 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 901 -6.058 11.868 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 901 -7.849 9.892 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 901 -7.114 9.190 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 901 -8.548 10.546 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 901 -7.479 11.867 4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 901 -9.754 12.295 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 901 -8.703 12.140 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 901 -9.739 10.861 3.290 1.00 0.00 H new ATOM 1551 N ILE A 902 -4.014 7.680 0.473 1.00 0.00 N ATOM 1552 CA ILE A 902 -3.397 7.170 -0.809 1.00 0.00 C ATOM 1553 C ILE A 902 -4.441 6.514 -1.735 1.00 0.00 C ATOM 1554 O ILE A 902 -4.701 5.332 -1.624 1.00 0.00 O ATOM 1555 CB ILE A 902 -2.382 6.110 -0.369 1.00 0.00 C ATOM 1556 CG1 ILE A 902 -3.072 5.083 0.554 1.00 0.00 C ATOM 1557 CG2 ILE A 902 -1.212 6.786 0.345 1.00 0.00 C ATOM 1558 CD1 ILE A 902 -2.534 5.179 1.987 1.00 0.00 C ATOM 0 H ILE A 902 -3.463 7.505 1.313 1.00 0.00 H new ATOM 0 HA ILE A 902 -2.952 7.991 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 902 -1.996 5.584 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 902 -4.148 5.255 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 902 -2.910 4.076 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 902 -0.491 6.031 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 902 -0.729 7.490 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 902 -1.580 7.320 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 902 -3.038 4.444 2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 902 -1.462 4.982 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 902 -2.719 6.179 2.379 1.00 0.00 H new ATOM 1570 N PRO A 903 -5.013 7.302 -2.625 1.00 0.00 N ATOM 1571 CA PRO A 903 -6.034 6.793 -3.576 1.00 0.00 C ATOM 1572 C PRO A 903 -5.347 6.202 -4.812 1.00 0.00 C ATOM 1573 O PRO A 903 -5.158 6.894 -5.794 1.00 0.00 O ATOM 1574 CB PRO A 903 -6.756 8.092 -3.976 1.00 0.00 C ATOM 1575 CG PRO A 903 -6.051 9.268 -3.264 1.00 0.00 C ATOM 1576 CD PRO A 903 -4.710 8.747 -2.734 1.00 0.00 C ATOM 0 HA PRO A 903 -6.679 6.017 -3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -6.726 8.228 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -7.807 8.048 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -5.895 10.096 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -6.666 9.646 -2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -3.886 8.948 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -4.442 9.189 -1.774 1.00 0.00 H new ATOM 1583 N ILE A 904 -4.953 4.955 -4.802 1.00 0.00 N ATOM 1584 CA ILE A 904 -4.286 4.432 -6.012 1.00 0.00 C ATOM 1585 C ILE A 904 -4.342 2.908 -6.120 1.00 0.00 C ATOM 1586 O ILE A 904 -4.300 2.182 -5.147 1.00 0.00 O ATOM 1587 CB ILE A 904 -2.851 4.974 -5.938 1.00 0.00 C ATOM 1588 CG1 ILE A 904 -2.656 6.009 -7.048 1.00 0.00 C ATOM 1589 CG2 ILE A 904 -1.834 3.853 -6.127 1.00 0.00 C ATOM 1590 CD1 ILE A 904 -1.909 7.224 -6.498 1.00 0.00 C ATOM 0 H ILE A 904 -5.063 4.299 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 904 -4.794 4.762 -6.918 1.00 0.00 H new ATOM 0 HB ILE A 904 -2.698 5.424 -4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 904 -2.096 5.569 -7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 904 -3.623 6.315 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 904 -0.826 4.263 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 904 -1.966 3.106 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 904 -1.982 3.388 -7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 904 -1.773 7.958 -7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 904 -2.486 7.670 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 904 -0.935 6.912 -6.121 1.00 0.00 H new ATOM 1602 N ILE A 905 -4.418 2.448 -7.335 1.00 0.00 N ATOM 1603 CA ILE A 905 -4.460 0.995 -7.621 1.00 0.00 C ATOM 1604 C ILE A 905 -3.027 0.453 -7.690 1.00 0.00 C ATOM 1605 O ILE A 905 -2.105 1.163 -8.041 1.00 0.00 O ATOM 1606 CB ILE A 905 -5.142 0.883 -8.991 1.00 0.00 C ATOM 1607 CG1 ILE A 905 -5.329 -0.592 -9.347 1.00 0.00 C ATOM 1608 CG2 ILE A 905 -4.280 1.550 -10.065 1.00 0.00 C ATOM 1609 CD1 ILE A 905 -6.809 -0.866 -9.599 1.00 0.00 C ATOM 0 H ILE A 905 -4.454 3.040 -8.165 1.00 0.00 H new ATOM 0 HA ILE A 905 -4.991 0.427 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 905 -6.110 1.382 -8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 905 -4.745 -0.841 -10.233 1.00 0.00 H new ATOM 0 HG13 ILE A 905 -4.963 -1.223 -8.537 1.00 0.00 H new ATOM 0 HG21 ILE A 905 -4.774 1.464 -11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 905 -4.143 2.603 -9.819 1.00 0.00 H new ATOM 0 HG23 ILE A 905 -3.308 1.058 -10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 905 -6.946 -1.917 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 905 -7.380 -0.632 -8.701 1.00 0.00 H new ATOM 0 HD13 ILE A 905 -7.159 -0.245 -10.423 1.00 0.00 H new ATOM 1621 N ILE A 906 -2.834 -0.793 -7.371 1.00 0.00 N ATOM 1622 CA ILE A 906 -1.473 -1.386 -7.419 1.00 0.00 C ATOM 1623 C ILE A 906 -1.548 -2.749 -8.100 1.00 0.00 C ATOM 1624 O ILE A 906 -2.548 -3.431 -8.036 1.00 0.00 O ATOM 1625 CB ILE A 906 -1.059 -1.535 -5.947 1.00 0.00 C ATOM 1626 CG1 ILE A 906 -0.351 -0.264 -5.494 1.00 0.00 C ATOM 1627 CG2 ILE A 906 -0.104 -2.722 -5.769 1.00 0.00 C ATOM 1628 CD1 ILE A 906 -1.371 0.857 -5.307 1.00 0.00 C ATOM 0 H ILE A 906 -3.571 -1.434 -7.075 1.00 0.00 H new ATOM 0 HA ILE A 906 -0.759 -0.780 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 906 -1.955 -1.707 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 906 0.179 -0.446 -4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 906 0.395 0.030 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 906 0.176 -2.809 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 906 -0.599 -3.639 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 906 0.790 -2.563 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 906 -0.860 1.764 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 906 -1.881 1.046 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 906 -2.101 0.563 -4.553 1.00 0.00 H new ATOM 1640 N ARG A 907 -0.504 -3.158 -8.746 1.00 0.00 N ATOM 1641 CA ARG A 907 -0.549 -4.496 -9.415 1.00 0.00 C ATOM 1642 C ARG A 907 0.199 -5.522 -8.609 1.00 0.00 C ATOM 1643 O ARG A 907 1.410 -5.556 -8.587 1.00 0.00 O ATOM 1644 CB ARG A 907 0.101 -4.320 -10.766 1.00 0.00 C ATOM 1645 CG ARG A 907 -0.916 -3.679 -11.701 1.00 0.00 C ATOM 1646 CD ARG A 907 -1.275 -2.267 -11.213 1.00 0.00 C ATOM 1647 NE ARG A 907 -1.446 -1.464 -12.456 1.00 0.00 N ATOM 1648 CZ ARG A 907 -2.495 -1.645 -13.211 1.00 0.00 C ATOM 1649 NH1 ARG A 907 -2.430 -2.449 -14.237 1.00 0.00 N ATOM 1650 NH2 ARG A 907 -3.608 -1.021 -12.940 1.00 0.00 N ATOM 0 H ARG A 907 0.370 -2.641 -8.845 1.00 0.00 H new ATOM 0 HA ARG A 907 -1.576 -4.848 -9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 907 0.989 -3.693 -10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 907 0.426 -5.283 -11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 907 -0.510 -3.629 -12.711 1.00 0.00 H new ATOM 0 HG3 ARG A 907 -1.815 -4.294 -11.748 1.00 0.00 H new ATOM 0 HD2 ARG A 907 -2.189 -2.275 -10.619 1.00 0.00 H new ATOM 0 HD3 ARG A 907 -0.488 -1.855 -10.582 1.00 0.00 H new ATOM 0 HE ARG A 907 -0.743 -0.773 -12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 907 -1.559 -2.936 -14.449 1.00 0.00 H new ATOM 0 HH12 ARG A 907 -3.250 -2.590 -14.827 1.00 0.00 H new ATOM 0 HH21 ARG A 907 -3.658 -0.392 -12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 907 -4.428 -1.162 -13.530 1.00 0.00 H new ATOM 1664 N ARG A 908 -0.525 -6.372 -7.964 1.00 0.00 N ATOM 1665 CA ARG A 908 0.122 -7.429 -7.156 1.00 0.00 C ATOM 1666 C ARG A 908 0.467 -8.620 -8.064 1.00 0.00 C ATOM 1667 O ARG A 908 -0.333 -9.522 -8.222 1.00 0.00 O ATOM 1668 CB ARG A 908 -0.951 -7.864 -6.139 1.00 0.00 C ATOM 1669 CG ARG A 908 -1.176 -6.813 -5.037 1.00 0.00 C ATOM 1670 CD ARG A 908 -2.065 -7.418 -3.918 1.00 0.00 C ATOM 1671 NE ARG A 908 -1.137 -7.663 -2.779 1.00 0.00 N ATOM 1672 CZ ARG A 908 -1.555 -8.312 -1.728 1.00 0.00 C ATOM 1673 NH1 ARG A 908 -2.728 -8.049 -1.221 1.00 0.00 N ATOM 1674 NH2 ARG A 908 -0.800 -9.226 -1.183 1.00 0.00 N ATOM 0 H ARG A 908 -1.545 -6.384 -7.959 1.00 0.00 H new ATOM 0 HA ARG A 908 1.038 -7.084 -6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 908 -1.890 -8.045 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 908 -0.653 -8.808 -5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 908 -0.219 -6.494 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 908 -1.653 -5.927 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 908 -2.865 -6.733 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 908 -2.539 -8.343 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 908 -0.176 -7.324 -2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 908 -3.319 -7.335 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 908 -3.054 -8.557 -0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 908 0.117 -9.433 -1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 908 -1.127 -9.734 -0.361 1.00 0.00 H new ATOM 1688 N TYR A 909 1.653 -8.673 -8.629 1.00 0.00 N ATOM 1689 CA TYR A 909 2.003 -9.842 -9.460 1.00 0.00 C ATOM 1690 C TYR A 909 2.633 -10.877 -8.555 1.00 0.00 C ATOM 1691 O TYR A 909 2.853 -10.643 -7.381 1.00 0.00 O ATOM 1692 CB TYR A 909 3.031 -9.440 -10.527 1.00 0.00 C ATOM 1693 CG TYR A 909 2.868 -8.020 -11.019 1.00 0.00 C ATOM 1694 CD1 TYR A 909 3.482 -6.965 -10.340 1.00 0.00 C ATOM 1695 CD2 TYR A 909 2.153 -7.767 -12.191 1.00 0.00 C ATOM 1696 CE1 TYR A 909 3.373 -5.665 -10.819 1.00 0.00 C ATOM 1697 CE2 TYR A 909 2.048 -6.467 -12.678 1.00 0.00 C ATOM 1698 CZ TYR A 909 2.655 -5.412 -11.996 1.00 0.00 C ATOM 1699 OH TYR A 909 2.549 -4.127 -12.488 1.00 0.00 O ATOM 0 H TYR A 909 2.377 -7.960 -8.545 1.00 0.00 H new ATOM 0 HA TYR A 909 1.110 -10.230 -9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 909 4.034 -9.561 -10.117 1.00 0.00 H new ATOM 0 HB3 TYR A 909 2.948 -10.121 -11.374 1.00 0.00 H new ATOM 0 HD1 TYR A 909 4.044 -7.160 -9.439 1.00 0.00 H new ATOM 0 HD2 TYR A 909 1.681 -8.581 -12.721 1.00 0.00 H new ATOM 0 HE1 TYR A 909 3.841 -4.851 -10.285 1.00 0.00 H new ATOM 0 HE2 TYR A 909 1.495 -6.275 -13.586 1.00 0.00 H new ATOM 0 HH TYR A 909 2.018 -4.135 -13.311 1.00 0.00 H new ATOM 1709 N LEU A 910 2.926 -12.012 -9.083 1.00 0.00 N ATOM 1710 CA LEU A 910 3.531 -13.066 -8.260 1.00 0.00 C ATOM 1711 C LEU A 910 4.696 -13.743 -8.982 1.00 0.00 C ATOM 1712 O LEU A 910 4.498 -14.428 -9.964 1.00 0.00 O ATOM 1713 CB LEU A 910 2.392 -14.056 -8.054 1.00 0.00 C ATOM 1714 CG LEU A 910 1.231 -13.399 -7.311 1.00 0.00 C ATOM 1715 CD1 LEU A 910 0.190 -14.469 -7.006 1.00 0.00 C ATOM 1716 CD2 LEU A 910 1.714 -12.767 -6.003 1.00 0.00 C ATOM 0 H LEU A 910 2.771 -12.258 -10.061 1.00 0.00 H new ATOM 0 HA LEU A 910 3.944 -12.677 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 910 2.048 -14.428 -9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 910 2.750 -14.917 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 910 0.802 -12.612 -7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 910 -0.649 -14.020 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 910 -0.164 -14.908 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 910 0.638 -15.246 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 910 0.871 -12.304 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 910 2.149 -13.537 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 910 2.466 -12.009 -6.221 1.00 0.00 H new ATOM 1728 N PRO A 911 5.879 -13.574 -8.437 1.00 0.00 N ATOM 1729 CA PRO A 911 7.070 -14.231 -9.007 1.00 0.00 C ATOM 1730 C PRO A 911 6.870 -15.744 -8.894 1.00 0.00 C ATOM 1731 O PRO A 911 7.586 -16.531 -9.480 1.00 0.00 O ATOM 1732 CB PRO A 911 8.197 -13.758 -8.084 1.00 0.00 C ATOM 1733 CG PRO A 911 7.593 -12.849 -6.997 1.00 0.00 C ATOM 1734 CD PRO A 911 6.083 -12.729 -7.241 1.00 0.00 C ATOM 0 HA PRO A 911 7.269 -14.000 -10.053 1.00 0.00 H new ATOM 0 HB2 PRO A 911 8.696 -14.613 -7.628 1.00 0.00 H new ATOM 0 HB3 PRO A 911 8.951 -13.216 -8.655 1.00 0.00 H new ATOM 0 HG2 PRO A 911 7.784 -13.264 -6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 911 8.060 -11.864 -7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 911 5.505 -13.087 -6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 911 5.782 -11.696 -7.419 1.00 0.00 H new ATOM 1741 N ASP A 912 5.875 -16.141 -8.137 1.00 0.00 N ATOM 1742 CA ASP A 912 5.583 -17.586 -7.965 1.00 0.00 C ATOM 1743 C ASP A 912 4.920 -18.112 -9.229 1.00 0.00 C ATOM 1744 O ASP A 912 5.174 -19.220 -9.660 1.00 0.00 O ATOM 1745 CB ASP A 912 4.609 -17.655 -6.791 1.00 0.00 C ATOM 1746 CG ASP A 912 5.380 -17.936 -5.500 1.00 0.00 C ATOM 1747 OD1 ASP A 912 6.400 -17.299 -5.291 1.00 0.00 O ATOM 1748 OD2 ASP A 912 4.938 -18.783 -4.742 1.00 0.00 O ATOM 0 H ASP A 912 5.251 -15.514 -7.629 1.00 0.00 H new ATOM 0 HA ASP A 912 6.478 -18.181 -7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 912 4.063 -16.716 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 912 3.871 -18.438 -6.963 1.00 0.00 H new ATOM 1753 N GLY A 913 4.076 -17.319 -9.836 1.00 0.00 N ATOM 1754 CA GLY A 913 3.409 -17.792 -11.087 1.00 0.00 C ATOM 1755 C GLY A 913 1.958 -17.343 -11.110 1.00 0.00 C ATOM 1756 O GLY A 913 1.047 -18.110 -11.351 1.00 0.00 O ATOM 0 H GLY A 913 3.822 -16.380 -9.527 1.00 0.00 H new ATOM 0 HA2 GLY A 913 3.933 -17.399 -11.958 1.00 0.00 H new ATOM 0 HA3 GLY A 913 3.462 -18.879 -11.147 1.00 0.00 H new ATOM 1760 N SER A 914 1.761 -16.096 -10.871 1.00 0.00 N ATOM 1761 CA SER A 914 0.391 -15.515 -10.874 1.00 0.00 C ATOM 1762 C SER A 914 0.507 -14.007 -10.796 1.00 0.00 C ATOM 1763 O SER A 914 1.588 -13.458 -10.895 1.00 0.00 O ATOM 1764 CB SER A 914 -0.297 -16.065 -9.628 1.00 0.00 C ATOM 1765 OG SER A 914 -0.818 -17.357 -9.910 1.00 0.00 O ATOM 0 H SER A 914 2.504 -15.428 -10.667 1.00 0.00 H new ATOM 0 HA SER A 914 -0.173 -15.768 -11.772 1.00 0.00 H new ATOM 0 HB2 SER A 914 0.411 -16.119 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 914 -1.100 -15.397 -9.317 1.00 0.00 H new ATOM 0 HG SER A 914 -0.392 -17.712 -10.718 1.00 0.00 H new ATOM 1771 N TYR A 915 -0.584 -13.331 -10.611 1.00 0.00 N ATOM 1772 CA TYR A 915 -0.527 -11.856 -10.514 1.00 0.00 C ATOM 1773 C TYR A 915 -1.963 -11.285 -10.517 1.00 0.00 C ATOM 1774 O TYR A 915 -2.848 -11.821 -11.152 1.00 0.00 O ATOM 1775 CB TYR A 915 0.241 -11.407 -11.778 1.00 0.00 C ATOM 1776 CG TYR A 915 -0.252 -10.064 -12.298 1.00 0.00 C ATOM 1777 CD1 TYR A 915 -0.376 -8.960 -11.441 1.00 0.00 C ATOM 1778 CD2 TYR A 915 -0.563 -9.924 -13.657 1.00 0.00 C ATOM 1779 CE1 TYR A 915 -0.805 -7.726 -11.942 1.00 0.00 C ATOM 1780 CE2 TYR A 915 -0.996 -8.690 -14.155 1.00 0.00 C ATOM 1781 CZ TYR A 915 -1.114 -7.591 -13.299 1.00 0.00 C ATOM 1782 OH TYR A 915 -1.536 -6.374 -13.792 1.00 0.00 O ATOM 0 H TYR A 915 -1.515 -13.738 -10.523 1.00 0.00 H new ATOM 0 HA TYR A 915 -0.042 -11.509 -9.602 1.00 0.00 H new ATOM 0 HB2 TYR A 915 1.305 -11.339 -11.551 1.00 0.00 H new ATOM 0 HB3 TYR A 915 0.129 -12.161 -12.557 1.00 0.00 H new ATOM 0 HD1 TYR A 915 -0.140 -9.063 -10.392 1.00 0.00 H new ATOM 0 HD2 TYR A 915 -0.468 -10.770 -14.321 1.00 0.00 H new ATOM 0 HE1 TYR A 915 -0.897 -6.877 -11.280 1.00 0.00 H new ATOM 0 HE2 TYR A 915 -1.239 -8.586 -15.202 1.00 0.00 H new ATOM 0 HH TYR A 915 -1.708 -6.452 -14.754 1.00 0.00 H new ATOM 1792 N GLU A 916 -2.185 -10.191 -9.845 1.00 0.00 N ATOM 1793 CA GLU A 916 -3.543 -9.561 -9.835 1.00 0.00 C ATOM 1794 C GLU A 916 -3.402 -8.037 -9.751 1.00 0.00 C ATOM 1795 O GLU A 916 -2.526 -7.520 -9.087 1.00 0.00 O ATOM 1796 CB GLU A 916 -4.242 -10.107 -8.594 1.00 0.00 C ATOM 1797 CG GLU A 916 -5.643 -10.593 -8.972 1.00 0.00 C ATOM 1798 CD GLU A 916 -6.653 -9.469 -8.727 1.00 0.00 C ATOM 1799 OE1 GLU A 916 -6.332 -8.334 -9.035 1.00 0.00 O ATOM 1800 OE2 GLU A 916 -7.730 -9.764 -8.235 1.00 0.00 O ATOM 0 H GLU A 916 -1.480 -9.699 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 916 -4.110 -9.787 -10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 916 -3.663 -10.927 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 916 -4.308 -9.333 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 916 -5.665 -10.895 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 916 -5.908 -11.470 -8.381 1.00 0.00 H new ATOM 1807 N ASP A 917 -4.267 -7.319 -10.411 1.00 0.00 N ATOM 1808 CA ASP A 917 -4.204 -5.830 -10.369 1.00 0.00 C ATOM 1809 C ASP A 917 -5.387 -5.287 -9.591 1.00 0.00 C ATOM 1810 O ASP A 917 -6.445 -5.882 -9.536 1.00 0.00 O ATOM 1811 CB ASP A 917 -4.247 -5.358 -11.813 1.00 0.00 C ATOM 1812 CG ASP A 917 -5.487 -5.907 -12.524 1.00 0.00 C ATOM 1813 OD1 ASP A 917 -6.204 -6.688 -11.919 1.00 0.00 O ATOM 1814 OD2 ASP A 917 -5.700 -5.532 -13.665 1.00 0.00 O ATOM 0 H ASP A 917 -5.021 -7.702 -10.982 1.00 0.00 H new ATOM 0 HA ASP A 917 -3.299 -5.479 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 917 -4.256 -4.268 -11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 917 -3.348 -5.685 -12.335 1.00 0.00 H new ATOM 1819 N TRP A 918 -5.166 -4.155 -8.998 1.00 0.00 N ATOM 1820 CA TRP A 918 -6.155 -3.423 -8.144 1.00 0.00 C ATOM 1821 C TRP A 918 -5.441 -2.959 -6.892 1.00 0.00 C ATOM 1822 O TRP A 918 -4.298 -3.299 -6.668 1.00 0.00 O ATOM 1823 CB TRP A 918 -7.339 -4.313 -7.766 1.00 0.00 C ATOM 1824 CG TRP A 918 -6.964 -5.635 -7.168 1.00 0.00 C ATOM 1825 CD1 TRP A 918 -5.740 -6.209 -7.073 1.00 0.00 C ATOM 1826 CD2 TRP A 918 -7.883 -6.541 -6.557 1.00 0.00 C ATOM 1827 NE1 TRP A 918 -5.892 -7.479 -6.534 1.00 0.00 N ATOM 1828 CE2 TRP A 918 -7.209 -7.707 -6.159 1.00 0.00 C ATOM 1829 CE3 TRP A 918 -9.248 -6.437 -6.332 1.00 0.00 C ATOM 1830 CZ2 TRP A 918 -7.898 -8.760 -5.549 1.00 0.00 C ATOM 1831 CZ3 TRP A 918 -9.943 -7.455 -5.707 1.00 0.00 C ATOM 1832 CH2 TRP A 918 -9.276 -8.629 -5.313 1.00 0.00 C ATOM 0 H TRP A 918 -4.273 -3.667 -9.074 1.00 0.00 H new ATOM 0 HA TRP A 918 -6.551 -2.575 -8.703 1.00 0.00 H new ATOM 0 HB2 TRP A 918 -7.969 -3.775 -7.058 1.00 0.00 H new ATOM 0 HB3 TRP A 918 -7.941 -4.491 -8.657 1.00 0.00 H new ATOM 0 HD1 TRP A 918 -4.805 -5.755 -7.367 1.00 0.00 H new ATOM 0 HE1 TRP A 918 -5.136 -8.155 -6.428 1.00 0.00 H new ATOM 0 HE3 TRP A 918 -9.774 -5.549 -6.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 -7.377 -9.662 -5.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 -11.001 -7.349 -5.521 1.00 0.00 H new ATOM 0 HH2 TRP A 918 -9.822 -9.427 -4.831 1.00 0.00 H new ATOM 1843 N GLY A 919 -6.071 -2.179 -6.072 1.00 0.00 N ATOM 1844 CA GLY A 919 -5.350 -1.714 -4.865 1.00 0.00 C ATOM 1845 C GLY A 919 -6.295 -1.083 -3.875 1.00 0.00 C ATOM 1846 O GLY A 919 -6.715 -1.692 -2.916 1.00 0.00 O ATOM 0 H GLY A 919 -7.030 -1.849 -6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 919 -4.838 -2.555 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 919 -4.584 -0.993 -5.151 1.00 0.00 H new ATOM 1850 N VAL A 920 -6.618 0.140 -4.086 1.00 0.00 N ATOM 1851 CA VAL A 920 -7.532 0.810 -3.141 1.00 0.00 C ATOM 1852 C VAL A 920 -8.827 1.116 -3.860 1.00 0.00 C ATOM 1853 O VAL A 920 -9.786 1.574 -3.269 1.00 0.00 O ATOM 1854 CB VAL A 920 -6.806 2.083 -2.726 1.00 0.00 C ATOM 1855 CG1 VAL A 920 -7.664 2.865 -1.730 1.00 0.00 C ATOM 1856 CG2 VAL A 920 -5.480 1.697 -2.072 1.00 0.00 C ATOM 0 H VAL A 920 -6.294 0.710 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 920 -7.780 0.206 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 920 -6.622 2.708 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 920 -7.141 3.775 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 920 -8.614 3.127 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 920 -7.849 2.251 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 920 -4.948 2.599 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 920 -5.673 1.078 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 920 -4.872 1.139 -2.784 1.00 0.00 H new ATOM 1866 N ASP A 921 -8.873 0.847 -5.137 1.00 0.00 N ATOM 1867 CA ASP A 921 -10.131 1.110 -5.874 1.00 0.00 C ATOM 1868 C ASP A 921 -11.044 -0.097 -5.776 1.00 0.00 C ATOM 1869 O ASP A 921 -12.239 -0.013 -5.985 1.00 0.00 O ATOM 1870 CB ASP A 921 -9.721 1.384 -7.319 1.00 0.00 C ATOM 1871 CG ASP A 921 -10.951 1.814 -8.118 1.00 0.00 C ATOM 1872 OD1 ASP A 921 -11.648 0.942 -8.611 1.00 0.00 O ATOM 1873 OD2 ASP A 921 -11.177 3.008 -8.224 1.00 0.00 O ATOM 0 H ASP A 921 -8.106 0.463 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 921 -10.681 1.957 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 921 -8.960 2.164 -7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 921 -9.280 0.490 -7.760 1.00 0.00 H new ATOM 1878 N GLU A 922 -10.482 -1.218 -5.466 1.00 0.00 N ATOM 1879 CA GLU A 922 -11.280 -2.452 -5.352 1.00 0.00 C ATOM 1880 C GLU A 922 -11.042 -3.096 -3.982 1.00 0.00 C ATOM 1881 O GLU A 922 -11.777 -3.963 -3.553 1.00 0.00 O ATOM 1882 CB GLU A 922 -10.726 -3.309 -6.475 1.00 0.00 C ATOM 1883 CG GLU A 922 -11.767 -4.349 -6.896 1.00 0.00 C ATOM 1884 CD GLU A 922 -11.558 -4.715 -8.366 1.00 0.00 C ATOM 1885 OE1 GLU A 922 -10.443 -5.064 -8.715 1.00 0.00 O ATOM 1886 OE2 GLU A 922 -12.516 -4.639 -9.117 1.00 0.00 O ATOM 0 H GLU A 922 -9.485 -1.333 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 922 -12.357 -2.302 -5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 922 -10.460 -2.682 -7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 922 -9.813 -3.807 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 922 -11.680 -5.239 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 922 -12.772 -3.954 -6.748 1.00 0.00 H new ATOM 1893 N LEU A 923 -10.004 -2.681 -3.302 1.00 0.00 N ATOM 1894 CA LEU A 923 -9.695 -3.269 -1.961 1.00 0.00 C ATOM 1895 C LEU A 923 -9.013 -2.262 -1.015 1.00 0.00 C ATOM 1896 O LEU A 923 -9.226 -1.068 -1.072 1.00 0.00 O ATOM 1897 CB LEU A 923 -8.793 -4.485 -2.232 1.00 0.00 C ATOM 1898 CG LEU A 923 -7.739 -4.147 -3.283 1.00 0.00 C ATOM 1899 CD1 LEU A 923 -6.329 -4.278 -2.724 1.00 0.00 C ATOM 1900 CD2 LEU A 923 -7.879 -5.122 -4.402 1.00 0.00 C ATOM 0 H LEU A 923 -9.355 -1.959 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 923 -10.614 -3.555 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 923 -8.306 -4.797 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 923 -9.398 -5.325 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 923 -7.891 -3.118 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 923 -5.605 -4.030 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 923 -6.207 -3.596 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 923 -6.164 -5.302 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 923 -7.136 -4.904 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 923 -7.725 -6.133 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 923 -8.878 -5.043 -4.831 1.00 0.00 H new ATOM 1912 N ILE A 924 -8.242 -2.789 -0.111 1.00 0.00 N ATOM 1913 CA ILE A 924 -7.542 -1.988 0.945 1.00 0.00 C ATOM 1914 C ILE A 924 -6.339 -1.210 0.444 1.00 0.00 C ATOM 1915 O ILE A 924 -5.866 -1.371 -0.651 1.00 0.00 O ATOM 1916 CB ILE A 924 -7.125 -3.018 2.017 1.00 0.00 C ATOM 1917 CG1 ILE A 924 -8.197 -3.010 3.086 1.00 0.00 C ATOM 1918 CG2 ILE A 924 -5.753 -2.717 2.644 1.00 0.00 C ATOM 1919 CD1 ILE A 924 -9.374 -3.810 2.552 1.00 0.00 C ATOM 0 H ILE A 924 -8.056 -3.790 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 924 -8.210 -1.216 1.327 1.00 0.00 H new ATOM 0 HB ILE A 924 -7.028 -3.996 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 924 -7.821 -3.449 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 924 -8.500 -1.989 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 924 -5.519 -3.477 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 924 -4.989 -2.723 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 924 -5.778 -1.737 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 924 -10.170 -3.827 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 924 -9.743 -3.347 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 924 -9.054 -4.830 2.339 1.00 0.00 H new ATOM 1931 N ILE A 925 -5.859 -0.374 1.306 1.00 0.00 N ATOM 1932 CA ILE A 925 -4.650 0.447 1.035 1.00 0.00 C ATOM 1933 C ILE A 925 -3.465 -0.254 1.708 1.00 0.00 C ATOM 1934 O ILE A 925 -3.175 -1.402 1.436 1.00 0.00 O ATOM 1935 CB ILE A 925 -4.955 1.820 1.662 1.00 0.00 C ATOM 1936 CG1 ILE A 925 -5.356 1.652 3.133 1.00 0.00 C ATOM 1937 CG2 ILE A 925 -6.106 2.485 0.900 1.00 0.00 C ATOM 1938 CD1 ILE A 925 -4.843 2.845 3.942 1.00 0.00 C ATOM 0 H ILE A 925 -6.269 -0.217 2.227 1.00 0.00 H new ATOM 0 HA ILE A 925 -4.406 0.568 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 925 -4.062 2.442 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 925 -6.440 1.580 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 925 -4.942 0.725 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 925 -6.322 3.457 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 925 -5.823 2.617 -0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 925 -6.993 1.854 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 925 -5.128 2.725 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 925 -3.757 2.896 3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 925 -5.278 3.764 3.550 1.00 0.00 H new ATOM 1950 N THR A 926 -2.803 0.405 2.590 1.00 0.00 N ATOM 1951 CA THR A 926 -1.656 -0.227 3.303 1.00 0.00 C ATOM 1952 C THR A 926 -2.166 -1.355 4.200 1.00 0.00 C ATOM 1953 O THR A 926 -1.536 -2.382 4.350 1.00 0.00 O ATOM 1954 CB THR A 926 -1.073 0.893 4.162 1.00 0.00 C ATOM 1955 OG1 THR A 926 -0.787 2.016 3.341 1.00 0.00 O ATOM 1956 CG2 THR A 926 0.204 0.406 4.852 1.00 0.00 C ATOM 0 H THR A 926 -3.000 1.369 2.861 1.00 0.00 H new ATOM 0 HA THR A 926 -0.922 -0.654 2.620 1.00 0.00 H new ATOM 0 HB THR A 926 -1.796 1.181 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 926 -1.626 2.414 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 926 0.616 1.209 5.464 1.00 0.00 H new ATOM 0 HG22 THR A 926 -0.029 -0.450 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 926 0.935 0.112 4.099 1.00 0.00 H new ATOM 1964 N ASP A 927 -3.312 -1.164 4.789 1.00 0.00 N ATOM 1965 CA ASP A 927 -3.896 -2.211 5.679 1.00 0.00 C ATOM 1966 C ASP A 927 -5.291 -1.783 6.147 1.00 0.00 C ATOM 1967 O ASP A 927 -6.010 -1.207 5.347 1.00 0.00 O ATOM 1968 CB ASP A 927 -2.936 -2.313 6.872 1.00 0.00 C ATOM 1969 CG ASP A 927 -2.826 -0.953 7.563 1.00 0.00 C ATOM 1970 OD1 ASP A 927 -3.796 -0.543 8.179 1.00 0.00 O ATOM 1971 OD2 ASP A 927 -1.773 -0.345 7.467 1.00 0.00 O ATOM 1972 OXT ASP A 927 -5.616 -2.038 7.295 1.00 0.00 O ATOM 0 H ASP A 927 -3.876 -0.320 4.692 1.00 0.00 H new ATOM 0 HA ASP A 927 -4.007 -3.168 5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -3.296 -3.062 7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -1.953 -2.640 6.533 1.00 0.00 H new