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 Set 1.1: A 868 THR OG1 : rot -39:sc= 0.669 USER MOD Set 1.2: A 872 GLN : amide:sc= -1.47! C(o=-0.8!,f=-7.9!) USER MOD Single : A 833 GLN : amide:sc= -0.791 K(o=-0.79,f=-1.9!) USER MOD Single : A 835 ASN : amide:sc= -5.97! C(o=-6!,f=-8.2!) USER MOD Single : A 841 SER OG : rot 180:sc= 0 USER MOD Single : A 853 THR OG1 : rot 120:sc= -7.47! USER MOD Single : A 854 THR OG1 : rot 180:sc= -0.851 USER MOD Single : A 856 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 857 MET CE :methyl 159:sc= -17.4! (180deg=-18.8!) USER MOD Single : A 858 THR OG1 : rot 150:sc= -3.05 USER MOD Single : A 859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 860 TYR OH : rot 180:sc= 0 USER MOD Single : A 875 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 876 CYS SG : rot 180:sc= -0.021 USER MOD Single : A 880 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 887 THR OG1 : rot -10:sc= 0.818 USER MOD Single : A 894 MET CE :methyl 128:sc= -5.41! (180deg=-8.27!) USER MOD Single : A 895 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 898 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0778) USER MOD Single : A 901 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 909 TYR OH : rot 15:sc= -2.8! USER MOD Single : A 914 SER OG : rot 1:sc= 0.994 USER MOD Single : A 915 TYR OH : rot 180:sc= -0.0266 USER MOD Single : A 926 THR OG1 : rot 78:sc= -6.55! USER MOD ----------------------------------------------------------------- ATOM 438 N GLN A 833 6.881 -11.115 -0.619 1.00 0.00 N ATOM 439 CA GLN A 833 7.099 -11.778 -1.936 1.00 0.00 C ATOM 440 C GLN A 833 5.886 -11.543 -2.837 1.00 0.00 C ATOM 441 O GLN A 833 4.973 -12.343 -2.895 1.00 0.00 O ATOM 442 CB GLN A 833 7.254 -13.269 -1.638 1.00 0.00 C ATOM 443 CG GLN A 833 7.461 -14.016 -2.955 1.00 0.00 C ATOM 444 CD GLN A 833 7.695 -15.502 -2.673 1.00 0.00 C ATOM 445 OE1 GLN A 833 6.813 -16.315 -2.867 1.00 0.00 O ATOM 446 NE2 GLN A 833 8.855 -15.893 -2.222 1.00 0.00 N ATOM 0 HA GLN A 833 7.976 -11.383 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 833 8.102 -13.435 -0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 833 6.369 -13.645 -1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 833 6.589 -13.891 -3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 833 8.314 -13.599 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 833 9.595 -15.210 -2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 833 9.022 -16.881 -2.032 1.00 0.00 H new ATOM 455 N GLU A 834 5.878 -10.448 -3.534 1.00 0.00 N ATOM 456 CA GLU A 834 4.747 -10.126 -4.434 1.00 0.00 C ATOM 457 C GLU A 834 5.133 -8.917 -5.276 1.00 0.00 C ATOM 458 O GLU A 834 5.335 -7.836 -4.757 1.00 0.00 O ATOM 459 CB GLU A 834 3.578 -9.788 -3.506 1.00 0.00 C ATOM 460 CG GLU A 834 2.307 -10.459 -4.023 1.00 0.00 C ATOM 461 CD GLU A 834 1.100 -9.954 -3.230 1.00 0.00 C ATOM 462 OE1 GLU A 834 1.269 -9.647 -2.061 1.00 0.00 O ATOM 463 OE2 GLU A 834 0.027 -9.884 -3.804 1.00 0.00 O ATOM 0 H GLU A 834 6.622 -9.750 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 834 4.488 -10.941 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 834 3.794 -10.127 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 834 3.438 -8.708 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 834 2.175 -10.242 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 834 2.391 -11.542 -3.927 1.00 0.00 H new ATOM 470 N ASN A 835 5.236 -9.077 -6.563 1.00 0.00 N ATOM 471 CA ASN A 835 5.603 -7.905 -7.402 1.00 0.00 C ATOM 472 C ASN A 835 4.409 -6.995 -7.444 1.00 0.00 C ATOM 473 O ASN A 835 3.385 -7.348 -7.950 1.00 0.00 O ATOM 474 CB ASN A 835 5.913 -8.396 -8.825 1.00 0.00 C ATOM 475 CG ASN A 835 6.724 -9.690 -8.781 1.00 0.00 C ATOM 476 OD1 ASN A 835 7.654 -9.806 -8.012 1.00 0.00 O ATOM 477 ND2 ASN A 835 6.416 -10.668 -9.589 1.00 0.00 N ATOM 0 H ASN A 835 5.085 -9.952 -7.064 1.00 0.00 H new ATOM 0 HA ASN A 835 6.472 -7.386 -6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 835 4.983 -8.561 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 835 6.468 -7.630 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 835 6.958 -11.532 -9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 835 5.633 -10.568 -10.235 1.00 0.00 H new ATOM 484 N VAL A 836 4.508 -5.843 -6.910 1.00 0.00 N ATOM 485 CA VAL A 836 3.324 -4.946 -6.947 1.00 0.00 C ATOM 486 C VAL A 836 3.680 -3.618 -7.589 1.00 0.00 C ATOM 487 O VAL A 836 4.629 -2.954 -7.223 1.00 0.00 O ATOM 488 CB VAL A 836 2.835 -4.782 -5.500 1.00 0.00 C ATOM 489 CG1 VAL A 836 3.623 -5.709 -4.587 1.00 0.00 C ATOM 490 CG2 VAL A 836 3.000 -3.334 -5.030 1.00 0.00 C ATOM 0 H VAL A 836 5.338 -5.469 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 836 2.525 -5.370 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 836 1.777 -5.039 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 836 3.275 -5.591 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 836 3.477 -6.742 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 836 4.683 -5.459 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 836 2.647 -3.242 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 836 4.052 -3.053 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 836 2.418 -2.674 -5.674 1.00 0.00 H new ATOM 500 N GLU A 837 2.894 -3.229 -8.540 1.00 0.00 N ATOM 501 CA GLU A 837 3.130 -1.933 -9.224 1.00 0.00 C ATOM 502 C GLU A 837 2.168 -0.923 -8.639 1.00 0.00 C ATOM 503 O GLU A 837 1.452 -1.217 -7.702 1.00 0.00 O ATOM 504 CB GLU A 837 2.829 -2.180 -10.699 1.00 0.00 C ATOM 505 CG GLU A 837 3.657 -1.224 -11.563 1.00 0.00 C ATOM 506 CD GLU A 837 2.725 -0.346 -12.401 1.00 0.00 C ATOM 507 OE1 GLU A 837 1.861 -0.898 -13.062 1.00 0.00 O ATOM 508 OE2 GLU A 837 2.890 0.861 -12.367 1.00 0.00 O ATOM 0 H GLU A 837 2.089 -3.756 -8.879 1.00 0.00 H new ATOM 0 HA GLU A 837 4.146 -1.557 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 837 3.060 -3.213 -10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 837 1.767 -2.033 -10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 837 4.288 -0.600 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 837 4.322 -1.791 -12.215 1.00 0.00 H new ATOM 515 N ILE A 838 2.129 0.257 -9.167 1.00 0.00 N ATOM 516 CA ILE A 838 1.194 1.247 -8.607 1.00 0.00 C ATOM 517 C ILE A 838 0.596 2.096 -9.721 1.00 0.00 C ATOM 518 O ILE A 838 1.189 2.309 -10.759 1.00 0.00 O ATOM 519 CB ILE A 838 2.039 2.089 -7.635 1.00 0.00 C ATOM 520 CG1 ILE A 838 1.349 2.161 -6.270 1.00 0.00 C ATOM 521 CG2 ILE A 838 2.245 3.511 -8.171 1.00 0.00 C ATOM 522 CD1 ILE A 838 2.054 1.217 -5.290 1.00 0.00 C ATOM 0 H ILE A 838 2.697 0.575 -9.952 1.00 0.00 H new ATOM 0 HA ILE A 838 0.350 0.786 -8.095 1.00 0.00 H new ATOM 0 HB ILE A 838 3.012 1.609 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 838 1.376 3.182 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 838 0.299 1.884 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 838 2.845 4.083 -7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 838 2.759 3.467 -9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 838 1.277 3.995 -8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 838 1.563 1.268 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 838 2.004 0.196 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 838 3.097 1.514 -5.185 1.00 0.00 H new ATOM 534 N LEU A 839 -0.575 2.576 -9.488 1.00 0.00 N ATOM 535 CA LEU A 839 -1.269 3.430 -10.501 1.00 0.00 C ATOM 536 C LEU A 839 -2.451 4.153 -9.845 1.00 0.00 C ATOM 537 O LEU A 839 -2.875 3.772 -8.774 1.00 0.00 O ATOM 538 CB LEU A 839 -1.763 2.451 -11.573 1.00 0.00 C ATOM 539 CG LEU A 839 -1.111 2.781 -12.921 1.00 0.00 C ATOM 540 CD1 LEU A 839 0.050 1.819 -13.183 1.00 0.00 C ATOM 541 CD2 LEU A 839 -2.149 2.639 -14.038 1.00 0.00 C ATOM 0 H LEU A 839 -1.101 2.418 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 839 -0.617 4.195 -10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -1.522 1.428 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -2.848 2.510 -11.660 1.00 0.00 H new ATOM 0 HG LEU A 839 -0.735 3.804 -12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 839 0.510 2.057 -14.142 1.00 0.00 H new ATOM 0 HD12 LEU A 839 0.791 1.919 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -0.323 0.795 -13.204 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -1.686 2.873 -14.997 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -2.525 1.616 -14.057 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -2.975 3.326 -13.856 1.00 0.00 H new ATOM 553 N PRO A 840 -2.959 5.172 -10.500 1.00 0.00 N ATOM 554 CA PRO A 840 -4.106 5.926 -9.943 1.00 0.00 C ATOM 555 C PRO A 840 -5.283 4.986 -9.695 1.00 0.00 C ATOM 556 O PRO A 840 -5.654 4.203 -10.547 1.00 0.00 O ATOM 557 CB PRO A 840 -4.424 6.933 -11.044 1.00 0.00 C ATOM 558 CG PRO A 840 -3.430 6.723 -12.206 1.00 0.00 C ATOM 559 CD PRO A 840 -2.436 5.620 -11.812 1.00 0.00 C ATOM 0 HA PRO A 840 -3.896 6.402 -8.985 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -5.448 6.801 -11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.347 7.950 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.964 6.443 -13.114 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -2.899 7.650 -12.421 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -2.419 4.809 -12.541 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -1.417 6.000 -11.735 1.00 0.00 H new ATOM 566 N SER A 841 -5.853 5.046 -8.523 1.00 0.00 N ATOM 567 CA SER A 841 -6.983 4.155 -8.178 1.00 0.00 C ATOM 568 C SER A 841 -7.972 4.047 -9.326 1.00 0.00 C ATOM 569 O SER A 841 -8.264 4.997 -10.025 1.00 0.00 O ATOM 570 CB SER A 841 -7.647 4.805 -6.966 1.00 0.00 C ATOM 571 OG SER A 841 -8.090 6.109 -7.318 1.00 0.00 O ATOM 0 H SER A 841 -5.574 5.688 -7.781 1.00 0.00 H new ATOM 0 HA SER A 841 -6.641 3.141 -7.971 1.00 0.00 H new ATOM 0 HB2 SER A 841 -8.489 4.200 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 841 -6.943 4.859 -6.136 1.00 0.00 H new ATOM 0 HG SER A 841 -8.518 6.529 -6.543 1.00 0.00 H new ATOM 577 N GLY A 842 -8.479 2.878 -9.501 1.00 0.00 N ATOM 578 CA GLY A 842 -9.469 2.626 -10.588 1.00 0.00 C ATOM 579 C GLY A 842 -8.844 2.960 -11.943 1.00 0.00 C ATOM 580 O GLY A 842 -9.351 3.778 -12.687 1.00 0.00 O ATOM 0 H GLY A 842 -8.253 2.062 -8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 842 -9.785 1.583 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 842 -10.361 3.232 -10.429 1.00 0.00 H new ATOM 740 N ILE A 852 -4.984 -13.946 -7.565 1.00 0.00 N ATOM 741 CA ILE A 852 -4.435 -14.340 -6.228 1.00 0.00 C ATOM 742 C ILE A 852 -4.683 -13.300 -5.141 1.00 0.00 C ATOM 743 O ILE A 852 -4.995 -13.641 -4.016 1.00 0.00 O ATOM 744 CB ILE A 852 -2.932 -14.493 -6.463 1.00 0.00 C ATOM 745 CG1 ILE A 852 -2.370 -13.182 -7.031 1.00 0.00 C ATOM 746 CG2 ILE A 852 -2.685 -15.633 -7.451 1.00 0.00 C ATOM 747 CD1 ILE A 852 -1.695 -12.388 -5.910 1.00 0.00 C ATOM 0 HA ILE A 852 -4.922 -15.247 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 852 -2.434 -14.721 -5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 852 -1.652 -13.395 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 852 -3.172 -12.593 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 852 -1.614 -15.743 -7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 852 -3.085 -16.561 -7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 852 -3.180 -15.409 -8.396 1.00 0.00 H new ATOM 0 HD11 ILE A 852 -1.296 -11.457 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 852 -2.425 -12.163 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 852 -0.882 -12.977 -5.485 1.00 0.00 H new ATOM 759 N THR A 853 -4.532 -12.048 -5.445 1.00 0.00 N ATOM 760 CA THR A 853 -4.735 -11.011 -4.436 1.00 0.00 C ATOM 761 C THR A 853 -6.074 -11.191 -3.770 1.00 0.00 C ATOM 762 O THR A 853 -7.058 -11.564 -4.380 1.00 0.00 O ATOM 763 CB THR A 853 -4.719 -9.715 -5.222 1.00 0.00 C ATOM 764 OG1 THR A 853 -5.569 -9.848 -6.347 1.00 0.00 O ATOM 765 CG2 THR A 853 -3.307 -9.419 -5.706 1.00 0.00 C ATOM 0 H THR A 853 -4.272 -11.704 -6.369 1.00 0.00 H new ATOM 0 HA THR A 853 -3.979 -11.037 -3.652 1.00 0.00 H new ATOM 0 HB THR A 853 -5.061 -8.902 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 853 -6.286 -9.181 -6.296 1.00 0.00 H new ATOM 0 HG21 THR A 853 -3.304 -8.486 -6.270 1.00 0.00 H new ATOM 0 HG22 THR A 853 -2.640 -9.327 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 853 -2.964 -10.231 -6.347 1.00 0.00 H new ATOM 773 N THR A 854 -6.109 -10.892 -2.535 1.00 0.00 N ATOM 774 CA THR A 854 -7.371 -10.988 -1.788 1.00 0.00 C ATOM 775 C THR A 854 -8.000 -9.600 -1.790 1.00 0.00 C ATOM 776 O THR A 854 -7.289 -8.618 -1.759 1.00 0.00 O ATOM 777 CB THR A 854 -6.982 -11.423 -0.369 1.00 0.00 C ATOM 778 OG1 THR A 854 -8.155 -11.537 0.424 1.00 0.00 O ATOM 779 CG2 THR A 854 -6.040 -10.391 0.260 1.00 0.00 C ATOM 0 H THR A 854 -5.306 -10.578 -1.990 1.00 0.00 H new ATOM 0 HA THR A 854 -8.085 -11.695 -2.212 1.00 0.00 H new ATOM 0 HB THR A 854 -6.472 -12.385 -0.417 1.00 0.00 H new ATOM 0 HG1 THR A 854 -7.911 -11.816 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 854 -5.771 -10.710 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 854 -5.138 -10.304 -0.346 1.00 0.00 H new ATOM 0 HG23 THR A 854 -6.540 -9.424 0.308 1.00 0.00 H new ATOM 787 N PRO A 855 -9.301 -9.550 -1.825 1.00 0.00 N ATOM 788 CA PRO A 855 -10.007 -8.253 -1.820 1.00 0.00 C ATOM 789 C PRO A 855 -9.555 -7.476 -0.588 1.00 0.00 C ATOM 790 O PRO A 855 -10.293 -7.309 0.363 1.00 0.00 O ATOM 791 CB PRO A 855 -11.478 -8.677 -1.729 1.00 0.00 C ATOM 792 CG PRO A 855 -11.542 -10.221 -1.698 1.00 0.00 C ATOM 793 CD PRO A 855 -10.118 -10.773 -1.862 1.00 0.00 C ATOM 0 HA PRO A 855 -9.823 -7.610 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -11.937 -8.261 -0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -12.037 -8.292 -2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -11.975 -10.563 -0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -12.185 -10.589 -2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -9.854 -11.462 -1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -9.997 -11.314 -2.800 1.00 0.00 H new ATOM 800 N TYR A 856 -8.320 -7.031 -0.596 1.00 0.00 N ATOM 801 CA TYR A 856 -7.756 -6.301 0.565 1.00 0.00 C ATOM 802 C TYR A 856 -6.271 -6.103 0.310 1.00 0.00 C ATOM 803 O TYR A 856 -5.465 -6.980 0.557 1.00 0.00 O ATOM 804 CB TYR A 856 -7.957 -7.209 1.772 1.00 0.00 C ATOM 805 CG TYR A 856 -7.577 -6.497 3.055 1.00 0.00 C ATOM 806 CD1 TYR A 856 -6.235 -6.207 3.335 1.00 0.00 C ATOM 807 CD2 TYR A 856 -8.571 -6.149 3.979 1.00 0.00 C ATOM 808 CE1 TYR A 856 -5.892 -5.574 4.534 1.00 0.00 C ATOM 809 CE2 TYR A 856 -8.227 -5.512 5.175 1.00 0.00 C ATOM 810 CZ TYR A 856 -6.886 -5.225 5.454 1.00 0.00 C ATOM 811 OH TYR A 856 -6.545 -4.600 6.636 1.00 0.00 O ATOM 0 H TYR A 856 -7.674 -7.150 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 856 -8.227 -5.331 0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 856 -8.998 -7.527 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 856 -7.353 -8.110 1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 856 -5.466 -6.472 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 856 -9.606 -6.373 3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 856 -4.857 -5.354 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 856 -8.996 -5.241 5.883 1.00 0.00 H new ATOM 0 HH TYR A 856 -7.355 -4.427 7.160 1.00 0.00 H new ATOM 821 N MET A 857 -5.913 -4.981 -0.215 1.00 0.00 N ATOM 822 CA MET A 857 -4.479 -4.727 -0.531 1.00 0.00 C ATOM 823 C MET A 857 -3.596 -5.009 0.690 1.00 0.00 C ATOM 824 O MET A 857 -4.091 -5.320 1.753 1.00 0.00 O ATOM 825 CB MET A 857 -4.414 -3.252 -0.895 1.00 0.00 C ATOM 826 CG MET A 857 -3.045 -2.932 -1.496 1.00 0.00 C ATOM 827 SD MET A 857 -3.257 -2.395 -3.201 1.00 0.00 S ATOM 828 CE MET A 857 -4.047 -0.814 -2.821 1.00 0.00 C ATOM 0 H MET A 857 -6.549 -4.217 -0.444 1.00 0.00 H new ATOM 0 HA MET A 857 -4.120 -5.370 -1.335 1.00 0.00 H new ATOM 0 HB2 MET A 857 -5.201 -3.008 -1.608 1.00 0.00 H new ATOM 0 HB3 MET A 857 -4.585 -2.641 -0.009 1.00 0.00 H new ATOM 0 HG2 MET A 857 -2.553 -2.152 -0.915 1.00 0.00 H new ATOM 0 HG3 MET A 857 -2.403 -3.812 -1.457 1.00 0.00 H new ATOM 0 HE1 MET A 857 -3.942 -0.141 -3.672 1.00 0.00 H new ATOM 0 HE2 MET A 857 -5.105 -0.976 -2.615 1.00 0.00 H new ATOM 0 HE3 MET A 857 -3.571 -0.370 -1.946 1.00 0.00 H new ATOM 838 N THR A 858 -2.292 -4.911 0.563 1.00 0.00 N ATOM 839 CA THR A 858 -1.437 -5.197 1.749 1.00 0.00 C ATOM 840 C THR A 858 -0.320 -4.177 1.902 1.00 0.00 C ATOM 841 O THR A 858 0.255 -3.713 0.939 1.00 0.00 O ATOM 842 CB THR A 858 -0.894 -6.596 1.497 1.00 0.00 C ATOM 843 OG1 THR A 858 -0.172 -6.615 0.274 1.00 0.00 O ATOM 844 CG2 THR A 858 -2.078 -7.556 1.421 1.00 0.00 C ATOM 0 H THR A 858 -1.797 -4.652 -0.290 1.00 0.00 H new ATOM 0 HA THR A 858 -1.998 -5.136 2.682 1.00 0.00 H new ATOM 0 HB THR A 858 -0.221 -6.895 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 858 0.540 -7.286 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 858 -1.715 -8.568 1.241 1.00 0.00 H new ATOM 0 HG22 THR A 858 -2.628 -7.530 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 858 -2.738 -7.257 0.606 1.00 0.00 H new ATOM 852 N LYS A 859 -0.046 -3.816 3.132 1.00 0.00 N ATOM 853 CA LYS A 859 1.015 -2.804 3.447 1.00 0.00 C ATOM 854 C LYS A 859 2.127 -2.709 2.376 1.00 0.00 C ATOM 855 O LYS A 859 2.641 -1.637 2.135 1.00 0.00 O ATOM 856 CB LYS A 859 1.608 -3.264 4.780 1.00 0.00 C ATOM 857 CG LYS A 859 2.197 -4.669 4.623 1.00 0.00 C ATOM 858 CD LYS A 859 2.566 -5.226 6.000 1.00 0.00 C ATOM 859 CE LYS A 859 3.616 -6.327 5.841 1.00 0.00 C ATOM 860 NZ LYS A 859 2.843 -7.600 5.857 1.00 0.00 N ATOM 0 H LYS A 859 -0.525 -4.189 3.952 1.00 0.00 H new ATOM 0 HA LYS A 859 0.579 -1.806 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 859 2.382 -2.568 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 859 0.837 -3.266 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 859 1.476 -5.325 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 859 3.080 -4.635 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 859 2.953 -4.429 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 859 1.679 -5.623 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 859 4.170 -6.213 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 859 4.345 -6.297 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 859 3.495 -8.403 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 859 2.332 -7.684 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 859 2.162 -7.602 5.071 1.00 0.00 H new ATOM 874 N TYR A 860 2.522 -3.783 1.719 1.00 0.00 N ATOM 875 CA TYR A 860 3.596 -3.618 0.695 1.00 0.00 C ATOM 876 C TYR A 860 3.119 -2.644 -0.358 1.00 0.00 C ATOM 877 O TYR A 860 3.815 -1.708 -0.689 1.00 0.00 O ATOM 878 CB TYR A 860 3.859 -4.979 0.081 1.00 0.00 C ATOM 879 CG TYR A 860 4.907 -4.821 -1.007 1.00 0.00 C ATOM 880 CD1 TYR A 860 4.571 -4.190 -2.209 1.00 0.00 C ATOM 881 CD2 TYR A 860 6.219 -5.270 -0.803 1.00 0.00 C ATOM 882 CE1 TYR A 860 5.534 -4.004 -3.201 1.00 0.00 C ATOM 883 CE2 TYR A 860 7.180 -5.089 -1.806 1.00 0.00 C ATOM 884 CZ TYR A 860 6.840 -4.453 -3.002 1.00 0.00 C ATOM 885 OH TYR A 860 7.791 -4.267 -3.985 1.00 0.00 O ATOM 0 H TYR A 860 2.160 -4.728 1.844 1.00 0.00 H new ATOM 0 HA TYR A 860 4.513 -3.230 1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 860 4.206 -5.678 0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 860 2.940 -5.391 -0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 860 3.560 -3.845 -2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 860 6.488 -5.754 0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 860 5.268 -3.512 -4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 860 8.189 -5.443 -1.654 1.00 0.00 H new ATOM 0 HH TYR A 860 8.648 -4.637 -3.686 1.00 0.00 H new ATOM 895 N GLU A 861 1.925 -2.828 -0.875 1.00 0.00 N ATOM 896 CA GLU A 861 1.425 -1.843 -1.875 1.00 0.00 C ATOM 897 C GLU A 861 1.776 -0.485 -1.307 1.00 0.00 C ATOM 898 O GLU A 861 2.407 0.334 -1.935 1.00 0.00 O ATOM 899 CB GLU A 861 -0.094 -2.018 -1.930 1.00 0.00 C ATOM 900 CG GLU A 861 -0.749 -0.675 -2.299 1.00 0.00 C ATOM 901 CD GLU A 861 -1.265 0.023 -1.034 1.00 0.00 C ATOM 902 OE1 GLU A 861 -1.162 -0.560 0.033 1.00 0.00 O ATOM 903 OE2 GLU A 861 -1.756 1.133 -1.157 1.00 0.00 O ATOM 0 H GLU A 861 1.294 -3.598 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 861 1.845 -1.964 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 861 -0.357 -2.778 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 861 -0.467 -2.364 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 861 -0.027 -0.036 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 861 -1.572 -0.841 -2.994 1.00 0.00 H new ATOM 910 N ARG A 862 1.396 -0.292 -0.080 1.00 0.00 N ATOM 911 CA ARG A 862 1.726 0.984 0.619 1.00 0.00 C ATOM 912 C ARG A 862 3.241 1.201 0.602 1.00 0.00 C ATOM 913 O ARG A 862 3.718 2.294 0.368 1.00 0.00 O ATOM 914 CB ARG A 862 1.258 0.792 2.059 1.00 0.00 C ATOM 915 CG ARG A 862 1.617 2.031 2.889 1.00 0.00 C ATOM 916 CD ARG A 862 3.027 1.872 3.472 1.00 0.00 C ATOM 917 NE ARG A 862 2.824 1.600 4.922 1.00 0.00 N ATOM 918 CZ ARG A 862 3.830 1.696 5.750 1.00 0.00 C ATOM 919 NH1 ARG A 862 4.972 1.138 5.454 1.00 0.00 N ATOM 920 NH2 ARG A 862 3.693 2.349 6.871 1.00 0.00 N ATOM 0 H ARG A 862 0.868 -0.965 0.476 1.00 0.00 H new ATOM 0 HA ARG A 862 1.253 1.843 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 862 0.181 0.626 2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 862 1.726 -0.094 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 862 1.569 2.924 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 862 0.893 2.164 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 862 3.562 1.054 2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 862 3.620 2.774 3.320 1.00 0.00 H new ATOM 0 HE ARG A 862 1.901 1.339 5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 862 5.078 0.628 4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 862 5.758 1.212 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 862 2.800 2.785 7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 862 4.479 2.424 7.517 1.00 0.00 H new ATOM 934 N ALA A 863 4.002 0.169 0.863 1.00 0.00 N ATOM 935 CA ALA A 863 5.485 0.333 0.871 1.00 0.00 C ATOM 936 C ALA A 863 6.018 0.567 -0.545 1.00 0.00 C ATOM 937 O ALA A 863 7.080 1.139 -0.739 1.00 0.00 O ATOM 938 CB ALA A 863 6.030 -0.978 1.439 1.00 0.00 C ATOM 0 H ALA A 863 3.664 -0.771 1.069 1.00 0.00 H new ATOM 0 HA ALA A 863 5.791 1.196 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 863 7.118 -0.934 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 863 5.638 -1.129 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 863 5.722 -1.807 0.801 1.00 0.00 H new ATOM 944 N ARG A 864 5.263 0.208 -1.540 1.00 0.00 N ATOM 945 CA ARG A 864 5.720 0.470 -2.931 1.00 0.00 C ATOM 946 C ARG A 864 5.223 1.855 -3.229 1.00 0.00 C ATOM 947 O ARG A 864 5.920 2.727 -3.704 1.00 0.00 O ATOM 948 CB ARG A 864 5.043 -0.582 -3.813 1.00 0.00 C ATOM 949 CG ARG A 864 6.114 -1.367 -4.577 1.00 0.00 C ATOM 950 CD ARG A 864 6.977 -0.406 -5.401 1.00 0.00 C ATOM 951 NE ARG A 864 7.452 -1.210 -6.561 1.00 0.00 N ATOM 952 CZ ARG A 864 7.918 -0.611 -7.622 1.00 0.00 C ATOM 953 NH1 ARG A 864 9.207 -0.486 -7.787 1.00 0.00 N ATOM 954 NH2 ARG A 864 7.096 -0.138 -8.519 1.00 0.00 N ATOM 0 H ARG A 864 4.357 -0.252 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 864 6.797 0.411 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 864 4.448 -1.259 -3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 864 4.359 -0.101 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 864 6.739 -1.922 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 864 5.642 -2.099 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 864 6.400 0.458 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 864 7.814 -0.026 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 864 7.413 -2.229 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 864 9.849 -0.857 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 864 9.572 -0.018 -8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 864 6.089 -0.237 -8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 864 7.461 0.330 -9.348 1.00 0.00 H new ATOM 968 N VAL A 865 4.007 2.043 -2.835 1.00 0.00 N ATOM 969 CA VAL A 865 3.336 3.345 -2.929 1.00 0.00 C ATOM 970 C VAL A 865 4.277 4.388 -2.356 1.00 0.00 C ATOM 971 O VAL A 865 4.790 5.210 -3.050 1.00 0.00 O ATOM 972 CB VAL A 865 2.136 3.115 -2.010 1.00 0.00 C ATOM 973 CG1 VAL A 865 1.780 4.362 -1.231 1.00 0.00 C ATOM 974 CG2 VAL A 865 0.959 2.665 -2.830 1.00 0.00 C ATOM 0 H VAL A 865 3.427 1.307 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 865 3.056 3.680 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 865 2.403 2.343 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 865 0.923 4.158 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 865 2.629 4.662 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 865 1.531 5.166 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 865 0.102 2.500 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 865 0.713 3.432 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 865 1.207 1.736 -3.344 1.00 0.00 H new ATOM 984 N LEU A 866 4.522 4.296 -1.084 1.00 0.00 N ATOM 985 CA LEU A 866 5.460 5.213 -0.399 1.00 0.00 C ATOM 986 C LEU A 866 6.670 5.368 -1.299 1.00 0.00 C ATOM 987 O LEU A 866 7.194 6.447 -1.483 1.00 0.00 O ATOM 988 CB LEU A 866 5.804 4.493 0.923 1.00 0.00 C ATOM 989 CG LEU A 866 7.288 4.671 1.293 1.00 0.00 C ATOM 990 CD1 LEU A 866 7.417 4.844 2.807 1.00 0.00 C ATOM 991 CD2 LEU A 866 8.076 3.434 0.859 1.00 0.00 C ATOM 0 H LEU A 866 4.096 3.599 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 866 5.068 6.210 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 866 5.178 4.885 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 866 5.576 3.431 0.830 1.00 0.00 H new ATOM 0 HG LEU A 866 7.683 5.552 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 866 8.467 4.970 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 866 6.856 5.724 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 866 7.020 3.962 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 866 9.126 3.561 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 866 7.679 2.554 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 866 7.985 3.304 -0.219 1.00 0.00 H new ATOM 1003 N GLY A 867 7.091 4.292 -1.897 1.00 0.00 N ATOM 1004 CA GLY A 867 8.231 4.396 -2.820 1.00 0.00 C ATOM 1005 C GLY A 867 7.826 5.268 -3.997 1.00 0.00 C ATOM 1006 O GLY A 867 8.561 6.129 -4.406 1.00 0.00 O ATOM 0 H GLY A 867 6.695 3.359 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 867 9.093 4.826 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 867 8.528 3.406 -3.167 1.00 0.00 H new ATOM 1010 N THR A 868 6.652 5.058 -4.529 1.00 0.00 N ATOM 1011 CA THR A 868 6.198 5.898 -5.701 1.00 0.00 C ATOM 1012 C THR A 868 5.670 7.224 -5.227 1.00 0.00 C ATOM 1013 O THR A 868 5.680 8.199 -5.945 1.00 0.00 O ATOM 1014 CB THR A 868 5.070 5.131 -6.362 1.00 0.00 C ATOM 1015 OG1 THR A 868 3.865 5.313 -5.629 1.00 0.00 O ATOM 1016 CG2 THR A 868 5.441 3.678 -6.377 1.00 0.00 C ATOM 0 H THR A 868 5.986 4.352 -4.215 1.00 0.00 H new ATOM 0 HA THR A 868 7.027 6.086 -6.383 1.00 0.00 H new ATOM 0 HB THR A 868 4.914 5.493 -7.378 1.00 0.00 H new ATOM 0 HG1 THR A 868 4.062 5.311 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 868 4.644 3.104 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 868 6.366 3.544 -6.939 1.00 0.00 H new ATOM 0 HG23 THR A 868 5.584 3.328 -5.355 1.00 0.00 H new ATOM 1024 N ARG A 869 5.289 7.284 -3.998 1.00 0.00 N ATOM 1025 CA ARG A 869 4.844 8.563 -3.441 1.00 0.00 C ATOM 1026 C ARG A 869 6.123 9.318 -3.291 1.00 0.00 C ATOM 1027 O ARG A 869 6.267 10.423 -3.738 1.00 0.00 O ATOM 1028 CB ARG A 869 4.215 8.247 -2.084 1.00 0.00 C ATOM 1029 CG ARG A 869 2.935 7.437 -2.286 1.00 0.00 C ATOM 1030 CD ARG A 869 1.803 8.365 -2.737 1.00 0.00 C ATOM 1031 NE ARG A 869 1.516 7.978 -4.147 1.00 0.00 N ATOM 1032 CZ ARG A 869 0.599 8.617 -4.822 1.00 0.00 C ATOM 1033 NH1 ARG A 869 -0.588 8.791 -4.309 1.00 0.00 N ATOM 1034 NH2 ARG A 869 0.869 9.081 -6.010 1.00 0.00 N ATOM 0 H ARG A 869 5.268 6.494 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 869 4.117 9.121 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 869 4.918 7.686 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 869 3.992 9.172 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 869 3.099 6.659 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 869 2.660 6.936 -1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 869 0.921 8.244 -2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 869 2.101 9.411 -2.669 1.00 0.00 H new ATOM 0 HE ARG A 869 2.035 7.216 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 869 -0.800 8.428 -3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 869 -1.304 9.290 -4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 869 1.796 8.945 -6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 869 0.153 9.580 -6.537 1.00 0.00 H new ATOM 1048 N ALA A 870 7.081 8.657 -2.705 1.00 0.00 N ATOM 1049 CA ALA A 870 8.425 9.269 -2.543 1.00 0.00 C ATOM 1050 C ALA A 870 9.012 9.734 -3.888 1.00 0.00 C ATOM 1051 O ALA A 870 9.684 10.738 -3.941 1.00 0.00 O ATOM 1052 CB ALA A 870 9.278 8.154 -1.947 1.00 0.00 C ATOM 0 H ALA A 870 6.988 7.713 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 870 8.387 10.160 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 870 10.294 8.517 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 870 8.854 7.842 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 870 9.296 7.305 -2.630 1.00 0.00 H new ATOM 1058 N LEU A 871 8.760 9.051 -4.980 1.00 0.00 N ATOM 1059 CA LEU A 871 9.328 9.562 -6.285 1.00 0.00 C ATOM 1060 C LEU A 871 8.338 10.516 -6.892 1.00 0.00 C ATOM 1061 O LEU A 871 8.713 11.545 -7.427 1.00 0.00 O ATOM 1062 CB LEU A 871 9.639 8.402 -7.262 1.00 0.00 C ATOM 1063 CG LEU A 871 9.283 7.041 -6.687 1.00 0.00 C ATOM 1064 CD1 LEU A 871 8.899 6.103 -7.829 1.00 0.00 C ATOM 1065 CD2 LEU A 871 10.498 6.477 -5.942 1.00 0.00 C ATOM 0 H LEU A 871 8.209 8.194 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 871 10.271 10.074 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 871 9.088 8.556 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 871 10.699 8.419 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 871 8.446 7.135 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 871 8.642 5.124 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 871 8.041 6.512 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 871 9.739 6.003 -8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 871 10.249 5.500 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 871 11.334 6.375 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 871 10.776 7.154 -5.134 1.00 0.00 H new ATOM 1077 N GLN A 872 7.070 10.216 -6.792 1.00 0.00 N ATOM 1078 CA GLN A 872 6.073 11.168 -7.348 1.00 0.00 C ATOM 1079 C GLN A 872 6.496 12.580 -6.921 1.00 0.00 C ATOM 1080 O GLN A 872 6.887 13.407 -7.724 1.00 0.00 O ATOM 1081 CB GLN A 872 4.750 10.756 -6.699 1.00 0.00 C ATOM 1082 CG GLN A 872 3.795 10.205 -7.767 1.00 0.00 C ATOM 1083 CD GLN A 872 3.835 8.677 -7.763 1.00 0.00 C ATOM 1084 OE1 GLN A 872 3.181 8.042 -6.960 1.00 0.00 O ATOM 1085 NE2 GLN A 872 4.582 8.053 -8.633 1.00 0.00 N ATOM 0 H GLN A 872 6.691 9.373 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 872 5.990 11.158 -8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 872 4.930 10.000 -5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 872 4.297 11.613 -6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 872 2.780 10.551 -7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 872 4.078 10.582 -8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 872 5.132 8.585 -9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 872 4.616 7.034 -8.638 1.00 0.00 H new ATOM 1094 N ILE A 873 6.460 12.822 -5.650 1.00 0.00 N ATOM 1095 CA ILE A 873 6.894 14.136 -5.088 1.00 0.00 C ATOM 1096 C ILE A 873 8.353 14.387 -5.347 1.00 0.00 C ATOM 1097 O ILE A 873 8.765 15.512 -5.544 1.00 0.00 O ATOM 1098 CB ILE A 873 6.732 13.998 -3.589 1.00 0.00 C ATOM 1099 CG1 ILE A 873 7.086 12.563 -3.158 1.00 0.00 C ATOM 1100 CG2 ILE A 873 5.302 14.344 -3.248 1.00 0.00 C ATOM 1101 CD1 ILE A 873 8.321 12.567 -2.270 1.00 0.00 C ATOM 0 H ILE A 873 6.140 12.151 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 873 6.316 14.946 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 873 7.403 14.671 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 873 6.246 12.119 -2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 873 7.265 11.945 -4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 873 5.153 14.254 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 873 5.091 15.367 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 873 4.629 13.661 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 873 8.559 11.546 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 873 9.162 12.991 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 873 8.128 13.167 -1.381 1.00 0.00 H new ATOM 1113 N ALA A 874 9.154 13.360 -5.345 1.00 0.00 N ATOM 1114 CA ALA A 874 10.596 13.590 -5.590 1.00 0.00 C ATOM 1115 C ALA A 874 10.742 14.349 -6.895 1.00 0.00 C ATOM 1116 O ALA A 874 11.749 14.977 -7.158 1.00 0.00 O ATOM 1117 CB ALA A 874 11.240 12.216 -5.638 1.00 0.00 C ATOM 0 H ALA A 874 8.877 12.391 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 874 11.079 14.186 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 874 12.310 12.322 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 874 11.080 11.706 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 874 10.793 11.633 -6.443 1.00 0.00 H new ATOM 1123 N MET A 875 9.697 14.372 -7.674 1.00 0.00 N ATOM 1124 CA MET A 875 9.741 15.183 -8.910 1.00 0.00 C ATOM 1125 C MET A 875 9.148 16.533 -8.525 1.00 0.00 C ATOM 1126 O MET A 875 9.814 17.549 -8.493 1.00 0.00 O ATOM 1127 CB MET A 875 8.859 14.452 -9.925 1.00 0.00 C ATOM 1128 CG MET A 875 9.479 13.092 -10.252 1.00 0.00 C ATOM 1129 SD MET A 875 9.093 12.647 -11.964 1.00 0.00 S ATOM 1130 CE MET A 875 10.641 13.224 -12.703 1.00 0.00 C ATOM 0 H MET A 875 8.826 13.869 -7.507 1.00 0.00 H new ATOM 0 HA MET A 875 10.735 15.323 -9.335 1.00 0.00 H new ATOM 0 HB2 MET A 875 7.855 14.319 -9.521 1.00 0.00 H new ATOM 0 HB3 MET A 875 8.761 15.047 -10.833 1.00 0.00 H new ATOM 0 HG2 MET A 875 10.559 13.129 -10.110 1.00 0.00 H new ATOM 0 HG3 MET A 875 9.094 12.332 -9.572 1.00 0.00 H new ATOM 0 HE1 MET A 875 10.620 13.044 -13.778 1.00 0.00 H new ATOM 0 HE2 MET A 875 10.758 14.291 -12.516 1.00 0.00 H new ATOM 0 HE3 MET A 875 11.479 12.684 -12.261 1.00 0.00 H new ATOM 1140 N CYS A 876 7.900 16.509 -8.164 1.00 0.00 N ATOM 1141 CA CYS A 876 7.202 17.735 -7.686 1.00 0.00 C ATOM 1142 C CYS A 876 6.345 17.350 -6.482 1.00 0.00 C ATOM 1143 O CYS A 876 6.739 17.506 -5.344 1.00 0.00 O ATOM 1144 CB CYS A 876 6.352 18.216 -8.868 1.00 0.00 C ATOM 1145 SG CYS A 876 5.376 19.658 -8.370 1.00 0.00 S ATOM 0 H CYS A 876 7.318 15.671 -8.180 1.00 0.00 H new ATOM 0 HA CYS A 876 7.877 18.530 -7.369 1.00 0.00 H new ATOM 0 HB2 CYS A 876 6.995 18.473 -9.710 1.00 0.00 H new ATOM 0 HB3 CYS A 876 5.692 17.416 -9.203 1.00 0.00 H new ATOM 0 HG CYS A 876 4.658 20.064 -9.375 1.00 0.00 H new ATOM 1151 N ALA A 877 5.183 16.809 -6.734 1.00 0.00 N ATOM 1152 CA ALA A 877 4.297 16.368 -5.615 1.00 0.00 C ATOM 1153 C ALA A 877 2.945 15.793 -6.095 1.00 0.00 C ATOM 1154 O ALA A 877 1.916 16.144 -5.553 1.00 0.00 O ATOM 1155 CB ALA A 877 4.075 17.602 -4.755 1.00 0.00 C ATOM 0 H ALA A 877 4.807 16.653 -7.669 1.00 0.00 H new ATOM 0 HA ALA A 877 4.771 15.553 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 877 3.431 17.348 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 877 5.034 17.963 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 877 3.601 18.381 -5.352 1.00 0.00 H new ATOM 1161 N PRO A 878 2.979 14.879 -7.044 1.00 0.00 N ATOM 1162 CA PRO A 878 1.730 14.217 -7.509 1.00 0.00 C ATOM 1163 C PRO A 878 1.105 13.468 -6.327 1.00 0.00 C ATOM 1164 O PRO A 878 -0.036 13.052 -6.353 1.00 0.00 O ATOM 1165 CB PRO A 878 2.245 13.222 -8.543 1.00 0.00 C ATOM 1166 CG PRO A 878 3.774 13.342 -8.621 1.00 0.00 C ATOM 1167 CD PRO A 878 4.233 14.466 -7.698 1.00 0.00 C ATOM 0 HA PRO A 878 0.977 14.898 -7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 878 1.959 12.207 -8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 878 1.800 13.424 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 878 4.241 12.401 -8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 878 4.084 13.547 -9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 878 4.972 14.120 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 878 4.689 15.285 -8.253 1.00 0.00 H new ATOM 1174 N VAL A 879 1.884 13.302 -5.296 1.00 0.00 N ATOM 1175 CA VAL A 879 1.438 12.592 -4.069 1.00 0.00 C ATOM 1176 C VAL A 879 0.134 13.219 -3.562 1.00 0.00 C ATOM 1177 O VAL A 879 -0.381 14.157 -4.137 1.00 0.00 O ATOM 1178 CB VAL A 879 2.633 12.833 -3.117 1.00 0.00 C ATOM 1179 CG1 VAL A 879 2.271 12.695 -1.632 1.00 0.00 C ATOM 1180 CG2 VAL A 879 3.757 11.838 -3.459 1.00 0.00 C ATOM 0 H VAL A 879 2.845 13.642 -5.254 1.00 0.00 H new ATOM 0 HA VAL A 879 1.212 11.533 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 879 2.955 13.864 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 879 3.157 12.877 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 879 1.499 13.421 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 879 1.900 11.688 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 879 4.603 12.002 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 879 3.390 10.819 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 879 4.074 11.988 -4.491 1.00 0.00 H new ATOM 1190 N MET A 880 -0.415 12.680 -2.519 1.00 0.00 N ATOM 1191 CA MET A 880 -1.714 13.208 -1.992 1.00 0.00 C ATOM 1192 C MET A 880 -1.477 14.261 -0.909 1.00 0.00 C ATOM 1193 O MET A 880 -2.371 14.615 -0.166 1.00 0.00 O ATOM 1194 CB MET A 880 -2.439 11.990 -1.410 1.00 0.00 C ATOM 1195 CG MET A 880 -3.869 11.933 -1.955 1.00 0.00 C ATOM 1196 SD MET A 880 -4.800 13.375 -1.378 1.00 0.00 S ATOM 1197 CE MET A 880 -5.672 13.713 -2.927 1.00 0.00 C ATOM 0 H MET A 880 -0.026 11.893 -2.000 1.00 0.00 H new ATOM 0 HA MET A 880 -2.297 13.695 -2.774 1.00 0.00 H new ATOM 0 HB2 MET A 880 -1.903 11.077 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 880 -2.456 12.050 -0.322 1.00 0.00 H new ATOM 0 HG2 MET A 880 -3.853 11.911 -3.045 1.00 0.00 H new ATOM 0 HG3 MET A 880 -4.358 11.016 -1.625 1.00 0.00 H new ATOM 0 HE1 MET A 880 -6.318 14.582 -2.799 1.00 0.00 H new ATOM 0 HE2 MET A 880 -4.947 13.913 -3.716 1.00 0.00 H new ATOM 0 HE3 MET A 880 -6.277 12.848 -3.200 1.00 0.00 H new ATOM 1207 N VAL A 881 -0.294 14.793 -0.857 1.00 0.00 N ATOM 1208 CA VAL A 881 0.028 15.853 0.112 1.00 0.00 C ATOM 1209 C VAL A 881 0.943 16.829 -0.621 1.00 0.00 C ATOM 1210 O VAL A 881 1.443 16.533 -1.690 1.00 0.00 O ATOM 1211 CB VAL A 881 0.718 15.171 1.309 1.00 0.00 C ATOM 1212 CG1 VAL A 881 -0.297 14.304 2.076 1.00 0.00 C ATOM 1213 CG2 VAL A 881 1.868 14.287 0.823 1.00 0.00 C ATOM 0 H VAL A 881 0.480 14.526 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 881 -0.837 16.399 0.490 1.00 0.00 H new ATOM 0 HB VAL A 881 1.111 15.944 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 881 0.198 13.825 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -1.110 14.932 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -0.699 13.540 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 881 2.347 13.811 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 881 1.480 13.521 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 881 2.598 14.898 0.292 1.00 0.00 H new ATOM 1223 N GLU A 882 1.127 17.989 -0.098 1.00 0.00 N ATOM 1224 CA GLU A 882 1.970 18.999 -0.811 1.00 0.00 C ATOM 1225 C GLU A 882 3.085 19.547 0.084 1.00 0.00 C ATOM 1226 O GLU A 882 3.024 20.672 0.542 1.00 0.00 O ATOM 1227 CB GLU A 882 0.994 20.118 -1.180 1.00 0.00 C ATOM 1228 CG GLU A 882 0.048 19.632 -2.281 1.00 0.00 C ATOM 1229 CD GLU A 882 0.459 20.246 -3.622 1.00 0.00 C ATOM 1230 OE1 GLU A 882 1.590 20.031 -4.027 1.00 0.00 O ATOM 1231 OE2 GLU A 882 -0.364 20.920 -4.219 1.00 0.00 O ATOM 0 H GLU A 882 0.737 18.297 0.793 1.00 0.00 H new ATOM 0 HA GLU A 882 2.469 18.562 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 882 0.422 20.420 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 882 1.543 20.996 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 882 0.076 18.544 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 882 -0.978 19.911 -2.042 1.00 0.00 H new ATOM 1238 N LEU A 883 4.110 18.776 0.329 1.00 0.00 N ATOM 1239 CA LEU A 883 5.221 19.282 1.183 1.00 0.00 C ATOM 1240 C LEU A 883 5.861 20.527 0.539 1.00 0.00 C ATOM 1241 O LEU A 883 5.478 21.643 0.831 1.00 0.00 O ATOM 1242 CB LEU A 883 6.220 18.123 1.263 1.00 0.00 C ATOM 1243 CG LEU A 883 7.436 18.544 2.090 1.00 0.00 C ATOM 1244 CD1 LEU A 883 7.055 18.589 3.572 1.00 0.00 C ATOM 1245 CD2 LEU A 883 8.566 17.533 1.886 1.00 0.00 C ATOM 0 H LEU A 883 4.225 17.825 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 883 4.882 19.586 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 883 5.745 17.252 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 883 6.534 17.831 0.261 1.00 0.00 H new ATOM 0 HG LEU A 883 7.768 19.531 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 883 7.921 18.889 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 883 6.249 19.308 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 883 6.722 17.602 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 883 9.433 17.832 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 883 8.233 16.546 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 883 8.838 17.500 0.831 1.00 0.00 H new ATOM 1257 N GLU A 884 6.832 20.353 -0.328 1.00 0.00 N ATOM 1258 CA GLU A 884 7.479 21.542 -0.970 1.00 0.00 C ATOM 1259 C GLU A 884 7.887 21.261 -2.428 1.00 0.00 C ATOM 1260 O GLU A 884 8.465 22.106 -3.083 1.00 0.00 O ATOM 1261 CB GLU A 884 8.723 21.805 -0.121 1.00 0.00 C ATOM 1262 CG GLU A 884 8.656 23.213 0.475 1.00 0.00 C ATOM 1263 CD GLU A 884 9.277 24.211 -0.504 1.00 0.00 C ATOM 1264 OE1 GLU A 884 8.788 24.302 -1.618 1.00 0.00 O ATOM 1265 OE2 GLU A 884 10.232 24.868 -0.123 1.00 0.00 O ATOM 0 H GLU A 884 7.201 19.447 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 884 6.796 22.391 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 884 8.793 21.066 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 884 9.620 21.701 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 884 7.620 23.484 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 884 9.187 23.242 1.427 1.00 0.00 H new ATOM 1272 N GLY A 885 7.634 20.081 -2.930 1.00 0.00 N ATOM 1273 CA GLY A 885 8.054 19.754 -4.320 1.00 0.00 C ATOM 1274 C GLY A 885 9.015 18.562 -4.255 1.00 0.00 C ATOM 1275 O GLY A 885 9.186 17.840 -5.213 1.00 0.00 O ATOM 0 H GLY A 885 7.154 19.330 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 885 7.186 19.511 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 885 8.541 20.612 -4.783 1.00 0.00 H new ATOM 1279 N GLU A 886 9.629 18.368 -3.103 1.00 0.00 N ATOM 1280 CA GLU A 886 10.595 17.243 -2.865 1.00 0.00 C ATOM 1281 C GLU A 886 11.612 17.694 -1.825 1.00 0.00 C ATOM 1282 O GLU A 886 12.266 18.707 -1.986 1.00 0.00 O ATOM 1283 CB GLU A 886 11.312 16.946 -4.186 1.00 0.00 C ATOM 1284 CG GLU A 886 12.559 16.090 -3.927 1.00 0.00 C ATOM 1285 CD GLU A 886 13.356 15.939 -5.225 1.00 0.00 C ATOM 1286 OE1 GLU A 886 13.624 16.949 -5.854 1.00 0.00 O ATOM 1287 OE2 GLU A 886 13.684 14.815 -5.567 1.00 0.00 O ATOM 0 H GLU A 886 9.492 18.969 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 886 10.079 16.351 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 886 10.638 16.425 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 886 11.596 17.879 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 886 13.179 16.554 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 886 12.268 15.109 -3.551 1.00 0.00 H new ATOM 1294 N THR A 887 11.761 16.956 -0.771 1.00 0.00 N ATOM 1295 CA THR A 887 12.736 17.338 0.267 1.00 0.00 C ATOM 1296 C THR A 887 12.947 16.118 1.130 1.00 0.00 C ATOM 1297 O THR A 887 14.055 15.712 1.425 1.00 0.00 O ATOM 1298 CB THR A 887 12.049 18.459 1.054 1.00 0.00 C ATOM 1299 OG1 THR A 887 12.013 19.638 0.263 1.00 0.00 O ATOM 1300 CG2 THR A 887 12.819 18.737 2.349 1.00 0.00 C ATOM 0 H THR A 887 11.243 16.097 -0.585 1.00 0.00 H new ATOM 0 HA THR A 887 13.701 17.672 -0.113 1.00 0.00 H new ATOM 0 HB THR A 887 11.033 18.152 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 887 12.566 19.513 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 887 12.324 19.535 2.902 1.00 0.00 H new ATOM 0 HG22 THR A 887 12.844 17.834 2.959 1.00 0.00 H new ATOM 0 HG23 THR A 887 13.838 19.040 2.108 1.00 0.00 H new ATOM 1308 N ASP A 888 11.862 15.529 1.520 1.00 0.00 N ATOM 1309 CA ASP A 888 11.924 14.324 2.349 1.00 0.00 C ATOM 1310 C ASP A 888 11.983 13.067 1.474 1.00 0.00 C ATOM 1311 O ASP A 888 11.355 13.019 0.435 1.00 0.00 O ATOM 1312 CB ASP A 888 10.634 14.367 3.135 1.00 0.00 C ATOM 1313 CG ASP A 888 10.830 13.682 4.489 1.00 0.00 C ATOM 1314 OD1 ASP A 888 10.691 12.472 4.545 1.00 0.00 O ATOM 1315 OD2 ASP A 888 11.116 14.380 5.448 1.00 0.00 O ATOM 0 H ASP A 888 10.919 15.844 1.290 1.00 0.00 H new ATOM 0 HA ASP A 888 12.808 14.292 2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 888 10.321 15.401 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 888 9.841 13.870 2.577 1.00 0.00 H new ATOM 1320 N PRO A 889 12.713 12.076 1.920 1.00 0.00 N ATOM 1321 CA PRO A 889 12.810 10.815 1.155 1.00 0.00 C ATOM 1322 C PRO A 889 11.471 10.059 1.176 1.00 0.00 C ATOM 1323 O PRO A 889 11.304 9.083 0.470 1.00 0.00 O ATOM 1324 CB PRO A 889 13.879 10.035 1.928 1.00 0.00 C ATOM 1325 CG PRO A 889 14.343 10.885 3.126 1.00 0.00 C ATOM 1326 CD PRO A 889 13.489 12.157 3.182 1.00 0.00 C ATOM 0 HA PRO A 889 13.053 10.965 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 889 13.476 9.083 2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 889 14.723 9.806 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 889 14.242 10.320 4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 889 15.397 11.141 3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 889 12.840 12.172 4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 889 14.103 13.057 3.224 1.00 0.00 H new ATOM 1333 N LEU A 890 10.516 10.487 1.981 1.00 0.00 N ATOM 1334 CA LEU A 890 9.215 9.768 2.037 1.00 0.00 C ATOM 1335 C LEU A 890 8.219 10.432 3.009 1.00 0.00 C ATOM 1336 O LEU A 890 7.180 9.868 3.274 1.00 0.00 O ATOM 1337 CB LEU A 890 9.544 8.328 2.498 1.00 0.00 C ATOM 1338 CG LEU A 890 10.045 8.274 3.964 1.00 0.00 C ATOM 1339 CD1 LEU A 890 11.157 9.294 4.210 1.00 0.00 C ATOM 1340 CD2 LEU A 890 8.890 8.548 4.929 1.00 0.00 C ATOM 0 H LEU A 890 10.591 11.299 2.594 1.00 0.00 H new ATOM 0 HA LEU A 890 8.731 9.786 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 890 8.655 7.706 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 890 10.304 7.905 1.842 1.00 0.00 H new ATOM 0 HG LEU A 890 10.443 7.274 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 890 11.486 9.230 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 890 11.997 9.082 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 890 10.781 10.297 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 890 9.256 8.507 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 890 8.477 9.537 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 890 8.114 7.796 4.790 1.00 0.00 H new ATOM 1352 N LEU A 891 8.486 11.619 3.535 1.00 0.00 N ATOM 1353 CA LEU A 891 7.479 12.256 4.459 1.00 0.00 C ATOM 1354 C LEU A 891 6.134 12.104 3.818 1.00 0.00 C ATOM 1355 O LEU A 891 5.141 11.821 4.431 1.00 0.00 O ATOM 1356 CB LEU A 891 7.879 13.736 4.554 1.00 0.00 C ATOM 1357 CG LEU A 891 6.658 14.698 4.584 1.00 0.00 C ATOM 1358 CD1 LEU A 891 5.955 14.781 3.214 1.00 0.00 C ATOM 1359 CD2 LEU A 891 5.652 14.256 5.657 1.00 0.00 C ATOM 0 H LEU A 891 9.335 12.159 3.368 1.00 0.00 H new ATOM 0 HA LEU A 891 7.448 11.810 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 891 8.475 13.888 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 891 8.513 13.990 3.705 1.00 0.00 H new ATOM 0 HG LEU A 891 7.037 15.691 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 891 5.108 15.464 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 891 6.658 15.147 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 891 5.601 13.791 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 891 4.804 14.940 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 891 5.303 13.248 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 891 6.135 14.266 6.634 1.00 0.00 H new ATOM 1371 N ILE A 892 6.151 12.302 2.566 1.00 0.00 N ATOM 1372 CA ILE A 892 4.937 12.188 1.744 1.00 0.00 C ATOM 1373 C ILE A 892 4.488 10.750 1.727 1.00 0.00 C ATOM 1374 O ILE A 892 3.328 10.445 1.879 1.00 0.00 O ATOM 1375 CB ILE A 892 5.420 12.587 0.371 1.00 0.00 C ATOM 1376 CG1 ILE A 892 5.037 14.027 0.114 1.00 0.00 C ATOM 1377 CG2 ILE A 892 4.818 11.683 -0.696 1.00 0.00 C ATOM 1378 CD1 ILE A 892 6.203 14.698 -0.569 1.00 0.00 C ATOM 0 H ILE A 892 6.990 12.551 2.042 1.00 0.00 H new ATOM 0 HA ILE A 892 4.102 12.791 2.101 1.00 0.00 H new ATOM 0 HB ILE A 892 6.504 12.482 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 892 4.146 14.080 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 892 4.800 14.532 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 892 5.180 11.988 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 892 5.112 10.651 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 892 3.731 11.762 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 892 5.957 15.741 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 892 7.080 14.649 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 892 6.416 14.189 -1.509 1.00 0.00 H new ATOM 1390 N ALA A 893 5.416 9.871 1.524 1.00 0.00 N ATOM 1391 CA ALA A 893 5.032 8.428 1.474 1.00 0.00 C ATOM 1392 C ALA A 893 4.619 7.977 2.873 1.00 0.00 C ATOM 1393 O ALA A 893 3.878 7.026 3.064 1.00 0.00 O ATOM 1394 CB ALA A 893 6.287 7.692 1.039 1.00 0.00 C ATOM 0 H ALA A 893 6.407 10.074 1.392 1.00 0.00 H new ATOM 0 HA ALA A 893 4.200 8.238 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 893 6.080 6.623 0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 893 6.601 8.055 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 893 7.082 7.868 1.764 1.00 0.00 H new ATOM 1400 N MET A 894 5.047 8.721 3.838 1.00 0.00 N ATOM 1401 CA MET A 894 4.680 8.446 5.251 1.00 0.00 C ATOM 1402 C MET A 894 3.374 9.162 5.521 1.00 0.00 C ATOM 1403 O MET A 894 2.393 8.571 5.892 1.00 0.00 O ATOM 1404 CB MET A 894 5.825 9.056 6.070 1.00 0.00 C ATOM 1405 CG MET A 894 5.416 9.213 7.541 1.00 0.00 C ATOM 1406 SD MET A 894 5.292 10.974 7.960 1.00 0.00 S ATOM 1407 CE MET A 894 7.015 11.431 7.629 1.00 0.00 C ATOM 0 H MET A 894 5.653 9.532 3.709 1.00 0.00 H new ATOM 0 HA MET A 894 4.549 7.391 5.490 1.00 0.00 H new ATOM 0 HB2 MET A 894 6.708 8.421 5.999 1.00 0.00 H new ATOM 0 HB3 MET A 894 6.097 10.028 5.657 1.00 0.00 H new ATOM 0 HG2 MET A 894 4.460 8.720 7.717 1.00 0.00 H new ATOM 0 HG3 MET A 894 6.149 8.727 8.186 1.00 0.00 H new ATOM 0 HE1 MET A 894 7.041 12.290 6.958 1.00 0.00 H new ATOM 0 HE2 MET A 894 7.510 11.687 8.566 1.00 0.00 H new ATOM 0 HE3 MET A 894 7.531 10.591 7.164 1.00 0.00 H new ATOM 1417 N LYS A 895 3.361 10.435 5.280 1.00 0.00 N ATOM 1418 CA LYS A 895 2.122 11.231 5.451 1.00 0.00 C ATOM 1419 C LYS A 895 1.032 10.549 4.636 1.00 0.00 C ATOM 1420 O LYS A 895 -0.069 10.346 5.094 1.00 0.00 O ATOM 1421 CB LYS A 895 2.464 12.615 4.885 1.00 0.00 C ATOM 1422 CG LYS A 895 1.185 13.361 4.500 1.00 0.00 C ATOM 1423 CD LYS A 895 0.390 13.704 5.762 1.00 0.00 C ATOM 1424 CE LYS A 895 0.711 15.136 6.195 1.00 0.00 C ATOM 1425 NZ LYS A 895 0.475 15.153 7.666 1.00 0.00 N ATOM 0 H LYS A 895 4.171 10.969 4.966 1.00 0.00 H new ATOM 0 HA LYS A 895 1.776 11.314 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 895 3.020 13.191 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 895 3.109 12.510 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 895 1.433 14.272 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 895 0.580 12.746 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 895 -0.678 13.602 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 895 0.639 13.007 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 895 1.742 15.399 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 895 0.072 15.856 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 895 0.674 16.103 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 895 -0.516 14.905 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 895 1.102 14.462 8.126 1.00 0.00 H new ATOM 1439 N GLU A 896 1.354 10.174 3.427 1.00 0.00 N ATOM 1440 CA GLU A 896 0.358 9.470 2.572 1.00 0.00 C ATOM 1441 C GLU A 896 -0.223 8.276 3.323 1.00 0.00 C ATOM 1442 O GLU A 896 -1.426 8.160 3.460 1.00 0.00 O ATOM 1443 CB GLU A 896 1.133 8.997 1.344 1.00 0.00 C ATOM 1444 CG GLU A 896 1.180 10.115 0.306 1.00 0.00 C ATOM 1445 CD GLU A 896 -0.029 9.995 -0.620 1.00 0.00 C ATOM 1446 OE1 GLU A 896 -1.089 9.639 -0.133 1.00 0.00 O ATOM 1447 OE2 GLU A 896 0.124 10.266 -1.799 1.00 0.00 O ATOM 0 H GLU A 896 2.265 10.326 2.995 1.00 0.00 H new ATOM 0 HA GLU A 896 -0.474 10.118 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 896 2.145 8.709 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 896 0.657 8.113 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 896 1.179 11.086 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 896 2.102 10.052 -0.271 1.00 0.00 H new ATOM 1454 N LEU A 897 0.600 7.387 3.832 1.00 0.00 N ATOM 1455 CA LEU A 897 0.004 6.241 4.578 1.00 0.00 C ATOM 1456 C LEU A 897 -0.503 6.748 5.914 1.00 0.00 C ATOM 1457 O LEU A 897 -1.607 6.470 6.334 1.00 0.00 O ATOM 1458 CB LEU A 897 1.115 5.216 4.780 1.00 0.00 C ATOM 1459 CG LEU A 897 0.573 4.023 5.584 1.00 0.00 C ATOM 1460 CD1 LEU A 897 0.822 4.261 7.074 1.00 0.00 C ATOM 1461 CD2 LEU A 897 -0.940 3.864 5.343 1.00 0.00 C ATOM 0 H LEU A 897 1.618 7.404 3.766 1.00 0.00 H new ATOM 0 HA LEU A 897 -0.829 5.789 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 897 1.491 4.877 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 897 1.954 5.672 5.306 1.00 0.00 H new ATOM 0 HG LEU A 897 1.084 3.116 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 897 0.439 3.416 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 897 1.892 4.364 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 897 0.313 5.173 7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -1.313 3.016 5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -1.456 4.771 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -1.123 3.692 4.282 1.00 0.00 H new ATOM 1473 N LYS A 898 0.291 7.537 6.552 1.00 0.00 N ATOM 1474 CA LYS A 898 -0.114 8.153 7.842 1.00 0.00 C ATOM 1475 C LYS A 898 -1.469 8.794 7.664 1.00 0.00 C ATOM 1476 O LYS A 898 -2.252 8.936 8.583 1.00 0.00 O ATOM 1477 CB LYS A 898 0.915 9.245 8.062 1.00 0.00 C ATOM 1478 CG LYS A 898 0.589 10.017 9.341 1.00 0.00 C ATOM 1479 CD LYS A 898 1.857 10.690 9.872 1.00 0.00 C ATOM 1480 CE LYS A 898 1.983 10.436 11.378 1.00 0.00 C ATOM 1481 NZ LYS A 898 0.953 11.310 12.003 1.00 0.00 N ATOM 0 H LYS A 898 1.226 7.791 6.233 1.00 0.00 H new ATOM 0 HA LYS A 898 -0.166 7.439 8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 898 1.911 8.809 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 898 0.925 9.924 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 898 -0.176 10.767 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 898 0.182 9.340 10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 898 2.732 10.300 9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 898 1.821 11.762 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 898 1.809 9.387 11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 898 2.982 10.683 11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 898 1.338 11.733 12.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 898 0.688 12.065 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 898 0.113 10.744 12.237 1.00 0.00 H new ATOM 1495 N ALA A 899 -1.732 9.174 6.459 1.00 0.00 N ATOM 1496 CA ALA A 899 -3.029 9.812 6.145 1.00 0.00 C ATOM 1497 C ALA A 899 -4.028 8.715 5.792 1.00 0.00 C ATOM 1498 O ALA A 899 -5.223 8.879 5.923 1.00 0.00 O ATOM 1499 CB ALA A 899 -2.735 10.730 4.949 1.00 0.00 C ATOM 0 H ALA A 899 -1.098 9.070 5.667 1.00 0.00 H new ATOM 0 HA ALA A 899 -3.456 10.383 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -3.649 11.244 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.981 11.465 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.366 10.134 4.115 1.00 0.00 H new ATOM 1505 N ARG A 900 -3.529 7.595 5.323 1.00 0.00 N ATOM 1506 CA ARG A 900 -4.410 6.467 4.928 1.00 0.00 C ATOM 1507 C ARG A 900 -5.327 6.994 3.854 1.00 0.00 C ATOM 1508 O ARG A 900 -6.433 6.532 3.649 1.00 0.00 O ATOM 1509 CB ARG A 900 -5.146 6.036 6.216 1.00 0.00 C ATOM 1510 CG ARG A 900 -6.618 6.471 6.200 1.00 0.00 C ATOM 1511 CD ARG A 900 -7.174 6.448 7.626 1.00 0.00 C ATOM 1512 NE ARG A 900 -8.253 7.474 7.639 1.00 0.00 N ATOM 1513 CZ ARG A 900 -8.950 7.674 8.724 1.00 0.00 C ATOM 1514 NH1 ARG A 900 -9.412 6.657 9.399 1.00 0.00 N ATOM 1515 NH2 ARG A 900 -9.183 8.891 9.135 1.00 0.00 N ATOM 0 H ARG A 900 -2.532 7.420 5.198 1.00 0.00 H new ATOM 0 HA ARG A 900 -3.895 5.596 4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -5.088 4.953 6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -4.647 6.470 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -6.707 7.473 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -7.198 5.805 5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -7.564 5.463 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -6.398 6.682 8.355 1.00 0.00 H new ATOM 0 HE ARG A 900 -8.447 8.020 6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -9.228 5.706 9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -9.957 6.813 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -8.820 9.685 8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -9.728 9.047 9.983 1.00 0.00 H new ATOM 1529 N LYS A 901 -4.846 7.980 3.168 1.00 0.00 N ATOM 1530 CA LYS A 901 -5.648 8.582 2.109 1.00 0.00 C ATOM 1531 C LYS A 901 -5.173 8.088 0.750 1.00 0.00 C ATOM 1532 O LYS A 901 -5.870 8.221 -0.228 1.00 0.00 O ATOM 1533 CB LYS A 901 -5.440 10.094 2.255 1.00 0.00 C ATOM 1534 CG LYS A 901 -6.067 10.834 1.066 1.00 0.00 C ATOM 1535 CD LYS A 901 -7.504 10.346 0.848 1.00 0.00 C ATOM 1536 CE LYS A 901 -8.419 11.541 0.565 1.00 0.00 C ATOM 1537 NZ LYS A 901 -9.270 11.673 1.780 1.00 0.00 N ATOM 0 H LYS A 901 -3.923 8.391 3.304 1.00 0.00 H new ATOM 0 HA LYS A 901 -6.703 8.319 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 901 -5.888 10.442 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 901 -4.375 10.318 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 901 -6.062 11.908 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 901 -5.475 10.663 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 901 -7.537 9.645 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 901 -7.853 9.809 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 901 -7.840 12.448 0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 901 -9.025 11.371 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 901 -9.924 12.473 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 901 -9.815 10.798 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 901 -8.666 11.841 2.610 1.00 0.00 H new ATOM 1551 N ILE A 902 -3.986 7.528 0.693 1.00 0.00 N ATOM 1552 CA ILE A 902 -3.426 7.034 -0.619 1.00 0.00 C ATOM 1553 C ILE A 902 -4.484 6.305 -1.474 1.00 0.00 C ATOM 1554 O ILE A 902 -4.661 5.111 -1.342 1.00 0.00 O ATOM 1555 CB ILE A 902 -2.325 6.043 -0.233 1.00 0.00 C ATOM 1556 CG1 ILE A 902 -2.897 4.979 0.729 1.00 0.00 C ATOM 1557 CG2 ILE A 902 -1.165 6.798 0.418 1.00 0.00 C ATOM 1558 CD1 ILE A 902 -2.277 5.110 2.127 1.00 0.00 C ATOM 0 H ILE A 902 -3.375 7.389 1.498 1.00 0.00 H new ATOM 0 HA ILE A 902 -3.070 7.872 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 902 -1.954 5.537 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 902 -3.979 5.089 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 902 -2.701 3.983 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 902 -0.381 6.093 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 902 -0.766 7.528 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 902 -1.521 7.312 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 902 -2.697 4.349 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 902 -1.197 4.976 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 902 -2.495 6.099 2.531 1.00 0.00 H new ATOM 1570 N PRO A 903 -5.154 7.048 -2.337 1.00 0.00 N ATOM 1571 CA PRO A 903 -6.193 6.465 -3.225 1.00 0.00 C ATOM 1572 C PRO A 903 -5.530 5.930 -4.497 1.00 0.00 C ATOM 1573 O PRO A 903 -5.366 6.667 -5.451 1.00 0.00 O ATOM 1574 CB PRO A 903 -7.022 7.709 -3.581 1.00 0.00 C ATOM 1575 CG PRO A 903 -6.359 8.934 -2.912 1.00 0.00 C ATOM 1576 CD PRO A 903 -4.954 8.507 -2.472 1.00 0.00 C ATOM 0 HA PRO A 903 -6.761 5.648 -2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -7.064 7.842 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -8.049 7.595 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -6.306 9.771 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -6.945 9.269 -2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -4.193 8.756 -3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -4.652 8.974 -1.535 1.00 0.00 H new ATOM 1583 N ILE A 904 -5.130 4.686 -4.554 1.00 0.00 N ATOM 1584 CA ILE A 904 -4.488 4.231 -5.803 1.00 0.00 C ATOM 1585 C ILE A 904 -4.517 2.714 -5.979 1.00 0.00 C ATOM 1586 O ILE A 904 -4.459 1.944 -5.041 1.00 0.00 O ATOM 1587 CB ILE A 904 -3.062 4.802 -5.743 1.00 0.00 C ATOM 1588 CG1 ILE A 904 -2.927 5.900 -6.798 1.00 0.00 C ATOM 1589 CG2 ILE A 904 -2.024 3.720 -6.024 1.00 0.00 C ATOM 1590 CD1 ILE A 904 -2.152 7.083 -6.216 1.00 0.00 C ATOM 0 H ILE A 904 -5.219 3.992 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 904 -5.028 4.588 -6.680 1.00 0.00 H new ATOM 0 HB ILE A 904 -2.888 5.199 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 904 -2.411 5.512 -7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 904 -3.914 6.226 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 904 -1.025 4.153 -5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 904 -2.113 2.928 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 904 -2.191 3.305 -7.018 1.00 0.00 H new ATOM 0 HD11 ILE A 904 -2.058 7.863 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 904 -2.685 7.477 -5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 904 -1.159 6.753 -5.910 1.00 0.00 H new ATOM 1602 N ILE A 905 -4.588 2.313 -7.212 1.00 0.00 N ATOM 1603 CA ILE A 905 -4.602 0.877 -7.571 1.00 0.00 C ATOM 1604 C ILE A 905 -3.165 0.354 -7.642 1.00 0.00 C ATOM 1605 O ILE A 905 -2.245 1.087 -7.946 1.00 0.00 O ATOM 1606 CB ILE A 905 -5.254 0.835 -8.959 1.00 0.00 C ATOM 1607 CG1 ILE A 905 -5.373 -0.613 -9.429 1.00 0.00 C ATOM 1608 CG2 ILE A 905 -4.401 1.615 -9.965 1.00 0.00 C ATOM 1609 CD1 ILE A 905 -6.808 -0.878 -9.873 1.00 0.00 C ATOM 0 H ILE A 905 -4.639 2.945 -8.011 1.00 0.00 H new ATOM 0 HA ILE A 905 -5.137 0.263 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 905 -6.244 1.286 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 905 -4.684 -0.798 -10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 905 -5.097 -1.294 -8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 905 -4.873 1.579 -10.947 1.00 0.00 H new ATOM 0 HG22 ILE A 905 -4.315 2.652 -9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 905 -3.408 1.169 -10.023 1.00 0.00 H new ATOM 0 HD11 ILE A 905 -6.900 -1.911 -10.210 1.00 0.00 H new ATOM 0 HD12 ILE A 905 -7.485 -0.708 -9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 905 -7.066 -0.205 -10.691 1.00 0.00 H new ATOM 1621 N ILE A 906 -2.968 -0.903 -7.377 1.00 0.00 N ATOM 1622 CA ILE A 906 -1.599 -1.479 -7.430 1.00 0.00 C ATOM 1623 C ILE A 906 -1.651 -2.840 -8.114 1.00 0.00 C ATOM 1624 O ILE A 906 -2.605 -3.576 -7.980 1.00 0.00 O ATOM 1625 CB ILE A 906 -1.177 -1.631 -5.964 1.00 0.00 C ATOM 1626 CG1 ILE A 906 -0.456 -0.367 -5.515 1.00 0.00 C ATOM 1627 CG2 ILE A 906 -0.234 -2.829 -5.797 1.00 0.00 C ATOM 1628 CD1 ILE A 906 -1.479 0.729 -5.223 1.00 0.00 C ATOM 0 H ILE A 906 -3.703 -1.563 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 906 -0.900 -0.857 -7.989 1.00 0.00 H new ATOM 0 HB ILE A 906 -2.068 -1.793 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 906 0.137 -0.572 -4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 906 0.236 -0.036 -6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 906 0.055 -2.921 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 906 -0.742 -3.739 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 906 0.657 -2.679 -6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 906 -0.962 1.633 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 906 -2.053 0.940 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 906 -2.153 0.397 -4.434 1.00 0.00 H new ATOM 1640 N ARG A 907 -0.636 -3.189 -8.835 1.00 0.00 N ATOM 1641 CA ARG A 907 -0.659 -4.525 -9.506 1.00 0.00 C ATOM 1642 C ARG A 907 0.134 -5.527 -8.710 1.00 0.00 C ATOM 1643 O ARG A 907 1.345 -5.524 -8.722 1.00 0.00 O ATOM 1644 CB ARG A 907 -0.031 -4.330 -10.867 1.00 0.00 C ATOM 1645 CG ARG A 907 -1.047 -3.645 -11.775 1.00 0.00 C ATOM 1646 CD ARG A 907 -1.426 -2.269 -11.209 1.00 0.00 C ATOM 1647 NE ARG A 907 -1.873 -1.476 -12.387 1.00 0.00 N ATOM 1648 CZ ARG A 907 -3.137 -1.442 -12.702 1.00 0.00 C ATOM 1649 NH1 ARG A 907 -3.840 -0.366 -12.469 1.00 0.00 N ATOM 1650 NH2 ARG A 907 -3.701 -2.485 -13.247 1.00 0.00 N ATOM 0 H ARG A 907 0.200 -2.626 -8.994 1.00 0.00 H new ATOM 0 HA ARG A 907 -1.677 -4.905 -9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 907 0.872 -3.725 -10.784 1.00 0.00 H new ATOM 0 HB3 ARG A 907 0.266 -5.290 -11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 907 -0.632 -3.532 -12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 907 -1.938 -4.266 -11.868 1.00 0.00 H new ATOM 0 HD2 ARG A 907 -2.219 -2.353 -10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 907 -0.576 -1.798 -10.716 1.00 0.00 H new ATOM 0 HE ARG A 907 -1.192 -0.961 -12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 907 -3.400 0.448 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 907 -4.829 -0.340 -12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 907 -3.152 -3.326 -13.426 1.00 0.00 H new ATOM 0 HH22 ARG A 907 -4.690 -2.459 -13.494 1.00 0.00 H new ATOM 1664 N ARG A 908 -0.542 -6.400 -8.039 1.00 0.00 N ATOM 1665 CA ARG A 908 0.183 -7.425 -7.245 1.00 0.00 C ATOM 1666 C ARG A 908 0.484 -8.634 -8.137 1.00 0.00 C ATOM 1667 O ARG A 908 -0.300 -9.560 -8.216 1.00 0.00 O ATOM 1668 CB ARG A 908 -0.751 -7.852 -6.088 1.00 0.00 C ATOM 1669 CG ARG A 908 -1.658 -6.694 -5.617 1.00 0.00 C ATOM 1670 CD ARG A 908 -2.243 -7.012 -4.216 1.00 0.00 C ATOM 1671 NE ARG A 908 -1.373 -6.266 -3.267 1.00 0.00 N ATOM 1672 CZ ARG A 908 -0.628 -6.917 -2.416 1.00 0.00 C ATOM 1673 NH1 ARG A 908 -1.118 -7.936 -1.765 1.00 0.00 N ATOM 1674 NH2 ARG A 908 0.608 -6.548 -2.215 1.00 0.00 N ATOM 0 H ARG A 908 -1.560 -6.453 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 908 1.123 -7.031 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 908 -1.370 -8.688 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 908 -0.151 -8.206 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 908 -1.087 -5.766 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 908 -2.467 -6.541 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 908 -3.282 -6.690 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 908 -2.225 -8.083 -4.013 1.00 0.00 H new ATOM 0 HE ARG A 908 -1.359 -5.246 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 908 -2.084 -8.224 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 908 -0.535 -8.444 -1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 908 0.991 -5.751 -2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 908 1.190 -7.057 -1.550 1.00 0.00 H new ATOM 1688 N TYR A 909 1.632 -8.664 -8.771 1.00 0.00 N ATOM 1689 CA TYR A 909 1.978 -9.837 -9.592 1.00 0.00 C ATOM 1690 C TYR A 909 2.640 -10.843 -8.669 1.00 0.00 C ATOM 1691 O TYR A 909 2.855 -10.578 -7.502 1.00 0.00 O ATOM 1692 CB TYR A 909 2.988 -9.424 -10.679 1.00 0.00 C ATOM 1693 CG TYR A 909 2.800 -8.000 -11.169 1.00 0.00 C ATOM 1694 CD1 TYR A 909 1.971 -7.741 -12.262 1.00 0.00 C ATOM 1695 CD2 TYR A 909 3.496 -6.948 -10.566 1.00 0.00 C ATOM 1696 CE1 TYR A 909 1.838 -6.443 -12.745 1.00 0.00 C ATOM 1697 CE2 TYR A 909 3.359 -5.648 -11.041 1.00 0.00 C ATOM 1698 CZ TYR A 909 2.529 -5.391 -12.139 1.00 0.00 C ATOM 1699 OH TYR A 909 2.394 -4.108 -12.626 1.00 0.00 O ATOM 0 H TYR A 909 2.333 -7.924 -8.748 1.00 0.00 H new ATOM 0 HA TYR A 909 1.090 -10.253 -10.068 1.00 0.00 H new ATOM 0 HB2 TYR A 909 3.999 -9.534 -10.286 1.00 0.00 H new ATOM 0 HB3 TYR A 909 2.899 -10.106 -11.525 1.00 0.00 H new ATOM 0 HD1 TYR A 909 1.432 -8.550 -12.733 1.00 0.00 H new ATOM 0 HD2 TYR A 909 4.145 -7.146 -9.725 1.00 0.00 H new ATOM 0 HE1 TYR A 909 1.198 -6.248 -13.592 1.00 0.00 H new ATOM 0 HE2 TYR A 909 3.892 -4.839 -10.564 1.00 0.00 H new ATOM 0 HH TYR A 909 1.618 -4.065 -13.223 1.00 0.00 H new ATOM 1709 N LEU A 910 2.971 -11.982 -9.171 1.00 0.00 N ATOM 1710 CA LEU A 910 3.617 -12.994 -8.319 1.00 0.00 C ATOM 1711 C LEU A 910 4.789 -13.660 -9.038 1.00 0.00 C ATOM 1712 O LEU A 910 4.596 -14.370 -10.004 1.00 0.00 O ATOM 1713 CB LEU A 910 2.510 -14.004 -8.037 1.00 0.00 C ATOM 1714 CG LEU A 910 1.352 -13.346 -7.284 1.00 0.00 C ATOM 1715 CD1 LEU A 910 0.350 -14.427 -6.902 1.00 0.00 C ATOM 1716 CD2 LEU A 910 1.845 -12.653 -6.012 1.00 0.00 C ATOM 0 H LEU A 910 2.822 -12.259 -10.141 1.00 0.00 H new ATOM 0 HA LEU A 910 4.035 -12.562 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 910 2.147 -14.424 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 910 2.908 -14.832 -7.450 1.00 0.00 H new ATOM 0 HG LEU A 910 0.893 -12.596 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 910 -0.484 -13.976 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 910 -0.021 -14.914 -7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 910 0.837 -15.165 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 910 1.001 -12.194 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 910 2.315 -13.387 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 910 2.571 -11.884 -6.275 1.00 0.00 H new ATOM 1728 N PRO A 911 5.973 -13.448 -8.511 1.00 0.00 N ATOM 1729 CA PRO A 911 7.176 -14.084 -9.083 1.00 0.00 C ATOM 1730 C PRO A 911 7.029 -15.598 -8.933 1.00 0.00 C ATOM 1731 O PRO A 911 7.765 -16.374 -9.509 1.00 0.00 O ATOM 1732 CB PRO A 911 8.301 -13.556 -8.186 1.00 0.00 C ATOM 1733 CG PRO A 911 7.684 -12.639 -7.113 1.00 0.00 C ATOM 1734 CD PRO A 911 6.167 -12.574 -7.334 1.00 0.00 C ATOM 0 HA PRO A 911 7.350 -13.872 -10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 911 8.831 -14.385 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 911 9.031 -13.006 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 911 7.905 -13.022 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 911 8.118 -11.641 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 911 5.615 -12.935 -6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 911 5.829 -11.556 -7.526 1.00 0.00 H new ATOM 1741 N ASP A 912 6.057 -16.012 -8.155 1.00 0.00 N ATOM 1742 CA ASP A 912 5.819 -17.462 -7.948 1.00 0.00 C ATOM 1743 C ASP A 912 5.141 -18.037 -9.181 1.00 0.00 C ATOM 1744 O ASP A 912 5.398 -19.157 -9.578 1.00 0.00 O ATOM 1745 CB ASP A 912 4.883 -17.542 -6.743 1.00 0.00 C ATOM 1746 CG ASP A 912 5.700 -17.772 -5.471 1.00 0.00 C ATOM 1747 OD1 ASP A 912 6.662 -17.049 -5.270 1.00 0.00 O ATOM 1748 OD2 ASP A 912 5.351 -18.667 -4.719 1.00 0.00 O ATOM 0 H ASP A 912 5.417 -15.396 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 912 6.739 -18.022 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 912 4.307 -16.621 -6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 912 4.168 -18.353 -6.879 1.00 0.00 H new ATOM 1753 N GLY A 913 4.279 -17.274 -9.800 1.00 0.00 N ATOM 1754 CA GLY A 913 3.595 -17.796 -11.022 1.00 0.00 C ATOM 1755 C GLY A 913 2.129 -17.406 -11.002 1.00 0.00 C ATOM 1756 O GLY A 913 1.241 -18.212 -11.201 1.00 0.00 O ATOM 0 H GLY A 913 4.021 -16.328 -9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 913 4.074 -17.396 -11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 913 3.691 -18.881 -11.067 1.00 0.00 H new ATOM 1760 N SER A 914 1.892 -16.165 -10.773 1.00 0.00 N ATOM 1761 CA SER A 914 0.504 -15.633 -10.734 1.00 0.00 C ATOM 1762 C SER A 914 0.577 -14.122 -10.731 1.00 0.00 C ATOM 1763 O SER A 914 1.632 -13.551 -10.930 1.00 0.00 O ATOM 1764 CB SER A 914 -0.097 -16.153 -9.433 1.00 0.00 C ATOM 1765 OG SER A 914 -0.497 -17.506 -9.604 1.00 0.00 O ATOM 0 H SER A 914 2.617 -15.467 -10.605 1.00 0.00 H new ATOM 0 HA SER A 914 -0.100 -15.942 -11.587 1.00 0.00 H new ATOM 0 HB2 SER A 914 0.633 -16.077 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 914 -0.953 -15.543 -9.146 1.00 0.00 H new ATOM 0 HG SER A 914 -0.286 -17.797 -10.516 1.00 0.00 H new ATOM 1771 N TYR A 915 -0.516 -13.460 -10.502 1.00 0.00 N ATOM 1772 CA TYR A 915 -0.488 -11.984 -10.482 1.00 0.00 C ATOM 1773 C TYR A 915 -1.929 -11.436 -10.429 1.00 0.00 C ATOM 1774 O TYR A 915 -2.867 -12.089 -10.843 1.00 0.00 O ATOM 1775 CB TYR A 915 0.199 -11.574 -11.806 1.00 0.00 C ATOM 1776 CG TYR A 915 -0.542 -10.433 -12.481 1.00 0.00 C ATOM 1777 CD1 TYR A 915 -0.577 -9.164 -11.888 1.00 0.00 C ATOM 1778 CD2 TYR A 915 -1.183 -10.646 -13.708 1.00 0.00 C ATOM 1779 CE1 TYR A 915 -1.248 -8.113 -12.521 1.00 0.00 C ATOM 1780 CE2 TYR A 915 -1.857 -9.594 -14.339 1.00 0.00 C ATOM 1781 CZ TYR A 915 -1.888 -8.327 -13.746 1.00 0.00 C ATOM 1782 OH TYR A 915 -2.548 -7.288 -14.370 1.00 0.00 O ATOM 0 H TYR A 915 -1.428 -13.881 -10.328 1.00 0.00 H new ATOM 0 HA TYR A 915 0.041 -11.590 -9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 915 1.228 -11.275 -11.607 1.00 0.00 H new ATOM 0 HB3 TYR A 915 0.240 -12.432 -12.478 1.00 0.00 H new ATOM 0 HD1 TYR A 915 -0.085 -8.997 -10.941 1.00 0.00 H new ATOM 0 HD2 TYR A 915 -1.157 -11.623 -14.168 1.00 0.00 H new ATOM 0 HE1 TYR A 915 -1.272 -7.135 -12.063 1.00 0.00 H new ATOM 0 HE2 TYR A 915 -2.353 -9.760 -15.284 1.00 0.00 H new ATOM 0 HH TYR A 915 -2.937 -7.606 -15.212 1.00 0.00 H new ATOM 1792 N GLU A 916 -2.096 -10.239 -9.953 1.00 0.00 N ATOM 1793 CA GLU A 916 -3.458 -9.612 -9.894 1.00 0.00 C ATOM 1794 C GLU A 916 -3.344 -8.083 -9.899 1.00 0.00 C ATOM 1795 O GLU A 916 -2.438 -7.517 -9.322 1.00 0.00 O ATOM 1796 CB GLU A 916 -4.060 -10.086 -8.578 1.00 0.00 C ATOM 1797 CG GLU A 916 -5.480 -10.588 -8.824 1.00 0.00 C ATOM 1798 CD GLU A 916 -6.465 -9.417 -8.755 1.00 0.00 C ATOM 1799 OE1 GLU A 916 -6.070 -8.314 -9.085 1.00 0.00 O ATOM 1800 OE2 GLU A 916 -7.600 -9.646 -8.370 1.00 0.00 O ATOM 0 H GLU A 916 -1.342 -9.653 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 916 -4.070 -9.892 -10.751 1.00 0.00 H new ATOM 0 HB2 GLU A 916 -3.450 -10.882 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 916 -4.071 -9.270 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 916 -5.541 -11.069 -9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 916 -5.743 -11.340 -8.081 1.00 0.00 H new ATOM 1807 N ASP A 917 -4.278 -7.411 -10.520 1.00 0.00 N ATOM 1808 CA ASP A 917 -4.253 -5.920 -10.534 1.00 0.00 C ATOM 1809 C ASP A 917 -5.479 -5.390 -9.816 1.00 0.00 C ATOM 1810 O ASP A 917 -6.516 -6.018 -9.775 1.00 0.00 O ATOM 1811 CB ASP A 917 -4.258 -5.500 -11.991 1.00 0.00 C ATOM 1812 CG ASP A 917 -5.469 -6.088 -12.719 1.00 0.00 C ATOM 1813 OD1 ASP A 917 -6.219 -6.824 -12.096 1.00 0.00 O ATOM 1814 OD2 ASP A 917 -5.629 -5.791 -13.892 1.00 0.00 O ATOM 0 H ASP A 917 -5.060 -7.834 -11.020 1.00 0.00 H new ATOM 0 HA ASP A 917 -3.373 -5.524 -10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 917 -4.278 -4.412 -12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 917 -3.340 -5.834 -12.474 1.00 0.00 H new ATOM 1819 N TRP A 918 -5.317 -4.237 -9.248 1.00 0.00 N ATOM 1820 CA TRP A 918 -6.363 -3.524 -8.440 1.00 0.00 C ATOM 1821 C TRP A 918 -5.693 -3.032 -7.175 1.00 0.00 C ATOM 1822 O TRP A 918 -4.542 -3.333 -6.936 1.00 0.00 O ATOM 1823 CB TRP A 918 -7.521 -4.461 -8.084 1.00 0.00 C ATOM 1824 CG TRP A 918 -7.096 -5.731 -7.407 1.00 0.00 C ATOM 1825 CD1 TRP A 918 -5.847 -6.239 -7.281 1.00 0.00 C ATOM 1826 CD2 TRP A 918 -7.969 -6.646 -6.735 1.00 0.00 C ATOM 1827 NE1 TRP A 918 -5.932 -7.474 -6.664 1.00 0.00 N ATOM 1828 CE2 TRP A 918 -7.230 -7.748 -6.268 1.00 0.00 C ATOM 1829 CE3 TRP A 918 -9.340 -6.607 -6.508 1.00 0.00 C ATOM 1830 CZ2 TRP A 918 -7.852 -8.798 -5.589 1.00 0.00 C ATOM 1831 CZ3 TRP A 918 -9.973 -7.628 -5.814 1.00 0.00 C ATOM 1832 CH2 TRP A 918 -9.235 -8.735 -5.351 1.00 0.00 C ATOM 0 H TRP A 918 -4.442 -3.717 -9.311 1.00 0.00 H new ATOM 0 HA TRP A 918 -6.779 -2.697 -9.016 1.00 0.00 H new ATOM 0 HB2 TRP A 918 -8.217 -3.931 -7.434 1.00 0.00 H new ATOM 0 HB3 TRP A 918 -8.064 -4.712 -8.995 1.00 0.00 H new ATOM 0 HD1 TRP A 918 -4.936 -5.760 -7.608 1.00 0.00 H new ATOM 0 HE1 TRP A 918 -5.141 -8.101 -6.519 1.00 0.00 H new ATOM 0 HE3 TRP A 918 -9.919 -5.773 -6.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 -7.277 -9.648 -5.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 -11.035 -7.574 -5.628 1.00 0.00 H new ATOM 0 HH2 TRP A 918 -9.730 -9.532 -4.816 1.00 0.00 H new ATOM 1843 N GLY A 919 -6.357 -2.275 -6.357 1.00 0.00 N ATOM 1844 CA GLY A 919 -5.649 -1.803 -5.146 1.00 0.00 C ATOM 1845 C GLY A 919 -6.597 -1.216 -4.135 1.00 0.00 C ATOM 1846 O GLY A 919 -6.964 -1.843 -3.166 1.00 0.00 O ATOM 0 H GLY A 919 -7.325 -1.971 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 919 -5.107 -2.634 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 919 -4.908 -1.054 -5.427 1.00 0.00 H new ATOM 1850 N VAL A 920 -6.971 -0.006 -4.327 1.00 0.00 N ATOM 1851 CA VAL A 920 -7.885 0.621 -3.356 1.00 0.00 C ATOM 1852 C VAL A 920 -9.195 0.913 -4.054 1.00 0.00 C ATOM 1853 O VAL A 920 -10.158 1.340 -3.446 1.00 0.00 O ATOM 1854 CB VAL A 920 -7.169 1.890 -2.920 1.00 0.00 C ATOM 1855 CG1 VAL A 920 -8.045 2.666 -1.932 1.00 0.00 C ATOM 1856 CG2 VAL A 920 -5.854 1.490 -2.246 1.00 0.00 C ATOM 0 H VAL A 920 -6.688 0.582 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 920 -8.118 -0.002 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 920 -6.971 2.526 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 920 -7.528 3.574 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 920 -8.987 2.931 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 920 -8.244 2.046 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 920 -5.323 2.386 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 920 -6.065 0.863 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 920 -5.237 0.936 -2.953 1.00 0.00 H new ATOM 1866 N ASP A 921 -9.247 0.661 -5.334 1.00 0.00 N ATOM 1867 CA ASP A 921 -10.514 0.903 -6.063 1.00 0.00 C ATOM 1868 C ASP A 921 -11.399 -0.330 -5.967 1.00 0.00 C ATOM 1869 O ASP A 921 -12.594 -0.277 -6.179 1.00 0.00 O ATOM 1870 CB ASP A 921 -10.108 1.188 -7.507 1.00 0.00 C ATOM 1871 CG ASP A 921 -11.353 1.488 -8.341 1.00 0.00 C ATOM 1872 OD1 ASP A 921 -11.996 0.544 -8.772 1.00 0.00 O ATOM 1873 OD2 ASP A 921 -11.645 2.657 -8.536 1.00 0.00 O ATOM 0 H ASP A 921 -8.475 0.303 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 921 -11.084 1.735 -5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 921 -9.422 2.034 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 921 -9.578 0.331 -7.922 1.00 0.00 H new ATOM 1878 N GLU A 922 -10.808 -1.437 -5.651 1.00 0.00 N ATOM 1879 CA GLU A 922 -11.574 -2.693 -5.536 1.00 0.00 C ATOM 1880 C GLU A 922 -11.325 -3.334 -4.166 1.00 0.00 C ATOM 1881 O GLU A 922 -12.008 -4.257 -3.766 1.00 0.00 O ATOM 1882 CB GLU A 922 -10.993 -3.544 -6.652 1.00 0.00 C ATOM 1883 CG GLU A 922 -11.983 -4.649 -7.028 1.00 0.00 C ATOM 1884 CD GLU A 922 -11.812 -5.006 -8.506 1.00 0.00 C ATOM 1885 OE1 GLU A 922 -11.619 -4.098 -9.296 1.00 0.00 O ATOM 1886 OE2 GLU A 922 -11.880 -6.183 -8.823 1.00 0.00 O ATOM 0 H GLU A 922 -9.809 -1.525 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 922 -12.653 -2.564 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 922 -10.779 -2.923 -7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 922 -10.048 -3.983 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 922 -11.814 -5.530 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 922 -13.004 -4.317 -6.839 1.00 0.00 H new ATOM 1893 N LEU A 923 -10.330 -2.865 -3.459 1.00 0.00 N ATOM 1894 CA LEU A 923 -10.007 -3.461 -2.123 1.00 0.00 C ATOM 1895 C LEU A 923 -9.336 -2.453 -1.170 1.00 0.00 C ATOM 1896 O LEU A 923 -9.568 -1.260 -1.212 1.00 0.00 O ATOM 1897 CB LEU A 923 -9.063 -4.632 -2.427 1.00 0.00 C ATOM 1898 CG LEU A 923 -8.028 -4.200 -3.456 1.00 0.00 C ATOM 1899 CD1 LEU A 923 -6.608 -4.453 -2.975 1.00 0.00 C ATOM 1900 CD2 LEU A 923 -8.248 -5.012 -4.674 1.00 0.00 C ATOM 0 H LEU A 923 -9.726 -2.095 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 923 -10.916 -3.775 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 923 -8.567 -4.959 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 923 -9.632 -5.482 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 923 -8.141 -3.131 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 923 -5.902 -4.130 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 923 -6.430 -3.893 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 923 -6.473 -5.517 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 923 -7.522 -4.729 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 923 -8.129 -6.068 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 923 -9.256 -4.837 -5.051 1.00 0.00 H new ATOM 1912 N ILE A 924 -8.547 -2.980 -0.279 1.00 0.00 N ATOM 1913 CA ILE A 924 -7.846 -2.182 0.779 1.00 0.00 C ATOM 1914 C ILE A 924 -6.665 -1.380 0.265 1.00 0.00 C ATOM 1915 O ILE A 924 -6.197 -1.529 -0.836 1.00 0.00 O ATOM 1916 CB ILE A 924 -7.387 -3.210 1.836 1.00 0.00 C ATOM 1917 CG1 ILE A 924 -8.428 -3.231 2.938 1.00 0.00 C ATOM 1918 CG2 ILE A 924 -6.007 -2.881 2.433 1.00 0.00 C ATOM 1919 CD1 ILE A 924 -9.684 -3.879 2.377 1.00 0.00 C ATOM 0 H ILE A 924 -8.347 -3.979 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 924 -8.527 -1.432 1.182 1.00 0.00 H new ATOM 0 HB ILE A 924 -7.289 -4.182 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 924 -8.062 -3.790 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 924 -8.641 -2.219 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 924 -5.739 -3.639 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 924 -5.261 -2.867 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 924 -6.043 -1.904 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 924 -10.454 -3.909 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 924 -10.044 -3.299 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 924 -9.456 -4.894 2.053 1.00 0.00 H new ATOM 1931 N ILE A 925 -6.197 -0.541 1.126 1.00 0.00 N ATOM 1932 CA ILE A 925 -5.010 0.311 0.852 1.00 0.00 C ATOM 1933 C ILE A 925 -3.809 -0.349 1.532 1.00 0.00 C ATOM 1934 O ILE A 925 -3.463 -1.478 1.247 1.00 0.00 O ATOM 1935 CB ILE A 925 -5.358 1.680 1.469 1.00 0.00 C ATOM 1936 CG1 ILE A 925 -5.784 1.508 2.933 1.00 0.00 C ATOM 1937 CG2 ILE A 925 -6.509 2.317 0.684 1.00 0.00 C ATOM 1938 CD1 ILE A 925 -5.253 2.678 3.763 1.00 0.00 C ATOM 0 H ILE A 925 -6.603 -0.400 2.051 1.00 0.00 H new ATOM 0 HA ILE A 925 -4.765 0.430 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 925 -4.477 2.321 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 925 -6.871 1.463 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 925 -5.400 0.567 3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 925 -6.755 3.285 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 925 -6.209 2.453 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 925 -7.383 1.667 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 925 -5.557 2.554 4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 925 -4.165 2.702 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 925 -5.659 3.613 3.376 1.00 0.00 H new ATOM 1950 N THR A 926 -3.191 0.327 2.430 1.00 0.00 N ATOM 1951 CA THR A 926 -2.029 -0.257 3.155 1.00 0.00 C ATOM 1952 C THR A 926 -2.499 -1.427 4.026 1.00 0.00 C ATOM 1953 O THR A 926 -1.758 -2.348 4.305 1.00 0.00 O ATOM 1954 CB THR A 926 -1.520 0.884 4.036 1.00 0.00 C ATOM 1955 OG1 THR A 926 -1.109 1.967 3.215 1.00 0.00 O ATOM 1956 CG2 THR A 926 -0.344 0.400 4.887 1.00 0.00 C ATOM 0 H THR A 926 -3.436 1.278 2.707 1.00 0.00 H new ATOM 0 HA THR A 926 -1.260 -0.640 2.484 1.00 0.00 H new ATOM 0 HB THR A 926 -2.321 1.215 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 926 -1.897 2.459 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 926 0.014 1.218 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 926 -0.669 -0.426 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 926 0.462 0.062 4.235 1.00 0.00 H new ATOM 1964 N ASP A 927 -3.735 -1.396 4.449 1.00 0.00 N ATOM 1965 CA ASP A 927 -4.288 -2.500 5.298 1.00 0.00 C ATOM 1966 C ASP A 927 -5.705 -2.143 5.755 1.00 0.00 C ATOM 1967 O ASP A 927 -5.830 -1.488 6.777 1.00 0.00 O ATOM 1968 CB ASP A 927 -3.348 -2.607 6.506 1.00 0.00 C ATOM 1969 CG ASP A 927 -2.667 -3.977 6.507 1.00 0.00 C ATOM 1970 OD1 ASP A 927 -2.382 -4.476 5.431 1.00 0.00 O ATOM 1971 OD2 ASP A 927 -2.443 -4.506 7.584 1.00 0.00 O ATOM 1972 OXT ASP A 927 -6.641 -2.531 5.076 1.00 0.00 O ATOM 0 H ASP A 927 -4.395 -0.646 4.242 1.00 0.00 H new ATOM 0 HA ASP A 927 -4.347 -3.443 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -2.598 -1.817 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -3.910 -2.468 7.430 1.00 0.00 H new