USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 769 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 6 LYS NZ :NH3+ -155:sc= 0.311 (180deg=0) USER MOD Set 1.2: B 686 GLN : amide:sc= 0.359 K(o=0.67,f=-2) USER MOD Set 2.1: A 55 THR OG1 : rot 119:sc= 0.908 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.806 USER MOD Single : A 1 MET CE :methyl 172:sc= -0.0457 (180deg=-0.0585) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.896 (180deg=0.866) USER MOD Single : A 2 GLN : amide:sc= 0.601 K(o=0.6,f=-0.52) USER MOD Single : A 7 THR OG1 : rot -72:sc= -0.633 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 1.05 (180deg=0.817) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.824 (180deg=0.757) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.866 (180deg=0.851) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 0.912 (180deg=0.743) USER MOD Single : A 40 GLN : amide:sc= -0.0772 K(o=-0.077,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.786 K(o=0.79,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.862 K(o=0.86,f=-0.31) USER MOD Single : A 59 TYR OH : rot 90:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 58:sc= 0.871 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.284 X(o=-0.28,f=-0.65) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= 0.726 K(o=0.73,f=-0.14) USER MOD Single : B 697 LYS NZ :NH3+ 161:sc= 0.981 (180deg=0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.413 -1.775 -3.206 1.00 0.00 N ATOM 2 CA MET A 1 4.700 -1.834 -4.676 1.00 0.00 C ATOM 3 C MET A 1 4.472 -0.475 -5.346 1.00 0.00 C ATOM 4 O MET A 1 3.941 0.428 -4.707 1.00 0.00 O ATOM 5 CB MET A 1 3.901 -2.938 -5.414 1.00 0.00 C ATOM 6 CG MET A 1 2.386 -2.764 -5.628 1.00 0.00 C ATOM 7 SD MET A 1 1.641 -4.258 -6.343 1.00 0.00 S ATOM 8 CE MET A 1 0.147 -3.654 -7.170 1.00 0.00 C ATOM 0 H1 MET A 1 4.478 -2.731 -2.801 1.00 0.00 H new ATOM 0 H2 MET A 1 5.106 -1.154 -2.742 1.00 0.00 H new ATOM 0 H3 MET A 1 3.455 -1.399 -3.054 1.00 0.00 H new ATOM 0 HA MET A 1 5.754 -2.098 -4.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.356 -3.070 -6.396 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.049 -3.869 -4.867 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.906 -2.537 -4.676 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.205 -1.915 -6.287 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.298 -4.461 -7.753 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.568 -3.309 -6.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.406 -2.828 -7.833 1.00 0.00 H new ATOM 20 N GLN A 2 4.754 -0.333 -6.648 1.00 0.00 N ATOM 21 CA GLN A 2 4.411 0.869 -7.405 1.00 0.00 C ATOM 22 C GLN A 2 3.684 0.487 -8.682 1.00 0.00 C ATOM 23 O GLN A 2 3.858 -0.634 -9.147 1.00 0.00 O ATOM 24 CB GLN A 2 5.692 1.687 -7.646 1.00 0.00 C ATOM 25 CG GLN A 2 6.628 1.184 -8.769 1.00 0.00 C ATOM 26 CD GLN A 2 7.942 1.979 -8.822 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.058 3.069 -8.264 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.977 1.480 -9.485 1.00 0.00 N ATOM 0 H GLN A 2 5.225 -1.049 -7.201 1.00 0.00 H new ATOM 0 HA GLN A 2 3.724 1.503 -6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.404 2.713 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.259 1.715 -6.716 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.849 0.128 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.118 1.263 -9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.896 0.577 -9.953 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.854 1.999 -9.527 1.00 0.00 H new ATOM 37 N ILE A 3 2.903 1.393 -9.259 1.00 0.00 N ATOM 38 CA ILE A 3 2.219 1.184 -10.547 1.00 0.00 C ATOM 39 C ILE A 3 2.272 2.474 -11.341 1.00 0.00 C ATOM 40 O ILE A 3 2.492 3.530 -10.760 1.00 0.00 O ATOM 41 CB ILE A 3 0.763 0.728 -10.330 1.00 0.00 C ATOM 42 CG1 ILE A 3 0.043 1.713 -9.387 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.744 -0.727 -9.817 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.466 1.733 -9.583 1.00 0.00 C ATOM 0 H ILE A 3 2.719 2.308 -8.847 1.00 0.00 H new ATOM 0 HA ILE A 3 2.724 0.394 -11.103 1.00 0.00 H new ATOM 0 HB ILE A 3 0.216 0.738 -11.273 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.266 1.446 -8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.438 2.716 -9.549 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.287 -1.046 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.220 -1.378 -10.550 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.285 -0.787 -8.873 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.913 2.446 -8.890 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.696 2.029 -10.607 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.871 0.739 -9.393 1.00 0.00 H new ATOM 56 N PHE A 4 2.039 2.382 -12.644 1.00 0.00 N ATOM 57 CA PHE A 4 2.257 3.459 -13.592 1.00 0.00 C ATOM 58 C PHE A 4 0.919 3.841 -14.206 1.00 0.00 C ATOM 59 O PHE A 4 0.429 3.199 -15.124 1.00 0.00 O ATOM 60 CB PHE A 4 3.260 3.012 -14.664 1.00 0.00 C ATOM 61 CG PHE A 4 4.447 2.212 -14.174 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.257 2.748 -13.165 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.738 0.937 -14.693 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.346 2.025 -12.662 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.879 0.249 -14.241 1.00 0.00 C ATOM 66 CZ PHE A 4 6.689 0.793 -13.234 1.00 0.00 C ATOM 0 H PHE A 4 1.683 1.531 -13.079 1.00 0.00 H new ATOM 0 HA PHE A 4 2.677 4.331 -13.091 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.727 2.416 -15.405 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.632 3.899 -15.176 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.040 3.730 -12.770 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.090 0.490 -15.433 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.920 2.416 -11.835 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.133 -0.707 -14.674 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.571 0.266 -12.902 1.00 0.00 H new ATOM 76 N VAL A 5 0.274 4.875 -13.705 1.00 0.00 N ATOM 77 CA VAL A 5 -1.019 5.291 -14.241 1.00 0.00 C ATOM 78 C VAL A 5 -0.726 6.239 -15.396 1.00 0.00 C ATOM 79 O VAL A 5 -0.341 7.383 -15.178 1.00 0.00 O ATOM 80 CB VAL A 5 -1.916 5.851 -13.128 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.309 6.191 -13.671 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.052 4.822 -11.996 1.00 0.00 C ATOM 0 H VAL A 5 0.617 5.444 -12.931 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.603 4.460 -14.636 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.454 6.761 -12.745 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.927 6.586 -12.865 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.220 6.938 -14.459 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.772 5.291 -14.075 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.690 5.227 -11.211 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.496 3.907 -12.388 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.067 4.601 -11.585 1.00 0.00 H new ATOM 92 N LYS A 6 -0.851 5.767 -16.637 1.00 0.00 N ATOM 93 CA LYS A 6 -0.792 6.645 -17.797 1.00 0.00 C ATOM 94 C LYS A 6 -2.023 7.519 -17.747 1.00 0.00 C ATOM 95 O LYS A 6 -3.138 7.004 -17.690 1.00 0.00 O ATOM 96 CB LYS A 6 -0.744 5.838 -19.103 1.00 0.00 C ATOM 97 CG LYS A 6 -0.145 6.706 -20.224 1.00 0.00 C ATOM 98 CD LYS A 6 -0.396 6.104 -21.615 1.00 0.00 C ATOM 99 CE LYS A 6 0.698 6.538 -22.610 1.00 0.00 C ATOM 100 NZ LYS A 6 0.704 5.730 -23.870 1.00 0.00 N ATOM 0 H LYS A 6 -0.993 4.782 -16.860 1.00 0.00 H new ATOM 0 HA LYS A 6 0.115 7.250 -17.774 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.143 4.939 -18.965 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.747 5.512 -19.378 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.577 7.706 -20.178 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.928 6.815 -20.064 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.419 5.016 -21.546 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.372 6.421 -21.982 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.555 7.589 -22.861 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.672 6.455 -22.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.654 5.752 -24.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.445 4.747 -23.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.017 6.129 -24.542 1.00 0.00 H new ATOM 114 N THR A 7 -1.857 8.826 -17.765 1.00 0.00 N ATOM 115 CA THR A 7 -2.992 9.681 -17.945 1.00 0.00 C ATOM 116 C THR A 7 -3.327 9.767 -19.403 1.00 0.00 C ATOM 117 O THR A 7 -2.498 9.485 -20.268 1.00 0.00 O ATOM 118 CB THR A 7 -2.771 11.046 -17.352 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.651 11.607 -17.991 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.520 11.005 -15.862 1.00 0.00 C ATOM 0 H THR A 7 -0.962 9.304 -17.659 1.00 0.00 H new ATOM 0 HA THR A 7 -3.837 9.247 -17.410 1.00 0.00 H new ATOM 0 HB THR A 7 -3.673 11.638 -17.504 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.839 11.151 -17.687 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.368 12.018 -15.491 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.379 10.560 -15.360 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.632 10.407 -15.659 1.00 0.00 H new ATOM 128 N LEU A 8 -4.542 10.231 -19.674 1.00 0.00 N ATOM 129 CA LEU A 8 -4.945 10.388 -21.054 1.00 0.00 C ATOM 130 C LEU A 8 -4.068 11.385 -21.811 1.00 0.00 C ATOM 131 O LEU A 8 -4.079 11.287 -23.026 1.00 0.00 O ATOM 132 CB LEU A 8 -6.438 10.663 -21.248 1.00 0.00 C ATOM 133 CG LEU A 8 -7.424 9.526 -20.926 1.00 0.00 C ATOM 134 CD1 LEU A 8 -8.745 9.722 -21.672 1.00 0.00 C ATOM 135 CD2 LEU A 8 -6.881 8.128 -21.261 1.00 0.00 C ATOM 0 H LEU A 8 -5.240 10.495 -18.978 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.778 9.409 -21.504 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.704 11.522 -20.631 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.593 10.957 -22.286 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.578 9.576 -19.848 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.425 8.906 -21.428 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.194 10.670 -21.374 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.559 9.730 -22.746 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.629 7.377 -21.008 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.655 8.071 -22.326 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.973 7.943 -20.687 1.00 0.00 H new ATOM 147 N THR A 9 -3.288 12.271 -21.179 1.00 0.00 N ATOM 148 CA THR A 9 -2.440 13.220 -21.909 1.00 0.00 C ATOM 149 C THR A 9 -1.208 12.495 -22.468 1.00 0.00 C ATOM 150 O THR A 9 -0.506 13.018 -23.338 1.00 0.00 O ATOM 151 CB THR A 9 -2.061 14.437 -21.038 1.00 0.00 C ATOM 152 OG1 THR A 9 -1.292 15.397 -21.729 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.373 14.123 -19.713 1.00 0.00 C ATOM 0 H THR A 9 -3.227 12.350 -20.164 1.00 0.00 H new ATOM 0 HA THR A 9 -3.007 13.619 -22.750 1.00 0.00 H new ATOM 0 HB THR A 9 -3.042 14.847 -20.796 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.084 16.143 -21.129 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.154 15.052 -19.187 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.029 13.505 -19.100 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.443 13.587 -19.904 1.00 0.00 H new ATOM 161 N GLY A 10 -0.931 11.283 -21.972 1.00 0.00 N ATOM 162 CA GLY A 10 0.308 10.589 -22.257 1.00 0.00 C ATOM 163 C GLY A 10 1.353 10.881 -21.193 1.00 0.00 C ATOM 164 O GLY A 10 2.532 10.969 -21.536 1.00 0.00 O ATOM 0 H GLY A 10 -1.566 10.765 -21.364 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.125 9.516 -22.307 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.683 10.894 -23.234 1.00 0.00 H new ATOM 168 N LYS A 11 0.956 11.039 -19.917 1.00 0.00 N ATOM 169 CA LYS A 11 1.934 11.197 -18.842 1.00 0.00 C ATOM 170 C LYS A 11 1.757 10.037 -17.911 1.00 0.00 C ATOM 171 O LYS A 11 0.681 9.881 -17.351 1.00 0.00 O ATOM 172 CB LYS A 11 1.747 12.548 -18.142 1.00 0.00 C ATOM 173 CG LYS A 11 2.677 12.702 -16.924 1.00 0.00 C ATOM 174 CD LYS A 11 2.095 12.279 -15.565 1.00 0.00 C ATOM 175 CE LYS A 11 0.789 12.973 -15.161 1.00 0.00 C ATOM 176 NZ LYS A 11 0.925 14.436 -14.914 1.00 0.00 N ATOM 0 H LYS A 11 -0.018 11.060 -19.615 1.00 0.00 H new ATOM 0 HA LYS A 11 2.954 11.198 -19.227 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.942 13.353 -18.851 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.710 12.649 -17.821 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.579 12.118 -17.106 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.981 13.746 -16.856 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.924 11.203 -15.582 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.841 12.471 -14.794 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.049 12.816 -15.946 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.402 12.498 -14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.100 14.776 -14.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.791 14.617 -14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.979 14.938 -15.823 1.00 0.00 H new ATOM 190 N THR A 12 2.787 9.248 -17.684 1.00 0.00 N ATOM 191 CA THR A 12 2.687 8.136 -16.765 1.00 0.00 C ATOM 192 C THR A 12 3.101 8.611 -15.383 1.00 0.00 C ATOM 193 O THR A 12 4.251 8.990 -15.159 1.00 0.00 O ATOM 194 CB THR A 12 3.494 6.940 -17.297 1.00 0.00 C ATOM 195 OG1 THR A 12 3.664 6.996 -18.709 1.00 0.00 O ATOM 196 CG2 THR A 12 2.696 5.675 -16.986 1.00 0.00 C ATOM 0 H THR A 12 3.701 9.357 -18.123 1.00 0.00 H new ATOM 0 HA THR A 12 1.662 7.776 -16.680 1.00 0.00 H new ATOM 0 HB THR A 12 4.478 6.952 -16.828 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.183 6.220 -19.007 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.240 4.803 -17.350 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.554 5.590 -15.909 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.724 5.728 -17.477 1.00 0.00 H new ATOM 204 N ILE A 13 2.127 8.613 -14.466 1.00 0.00 N ATOM 205 CA ILE A 13 2.351 8.927 -13.070 1.00 0.00 C ATOM 206 C ILE A 13 2.528 7.614 -12.340 1.00 0.00 C ATOM 207 O ILE A 13 1.606 6.811 -12.259 1.00 0.00 O ATOM 208 CB ILE A 13 1.267 9.867 -12.494 1.00 0.00 C ATOM 209 CG1 ILE A 13 1.097 9.784 -10.959 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.118 9.872 -13.141 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.175 9.139 -10.401 1.00 0.00 C ATOM 0 H ILE A 13 1.155 8.393 -14.685 1.00 0.00 H new ATOM 0 HA ILE A 13 3.260 9.514 -12.936 1.00 0.00 H new ATOM 0 HB ILE A 13 1.721 10.816 -12.778 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.950 9.235 -10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.156 10.798 -10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.760 10.583 -12.621 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.029 10.161 -14.188 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.554 8.875 -13.076 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.144 9.157 -9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.047 9.693 -10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.241 8.107 -10.745 1.00 0.00 H new ATOM 223 N THR A 14 3.722 7.405 -11.807 1.00 0.00 N ATOM 224 CA THR A 14 3.995 6.265 -10.964 1.00 0.00 C ATOM 225 C THR A 14 3.466 6.604 -9.576 1.00 0.00 C ATOM 226 O THR A 14 3.601 7.745 -9.122 1.00 0.00 O ATOM 227 CB THR A 14 5.499 5.989 -10.942 1.00 0.00 C ATOM 228 OG1 THR A 14 5.998 5.973 -12.273 1.00 0.00 O ATOM 229 CG2 THR A 14 5.828 4.647 -10.256 1.00 0.00 C ATOM 0 H THR A 14 4.522 8.022 -11.949 1.00 0.00 H new ATOM 0 HA THR A 14 3.510 5.362 -11.335 1.00 0.00 H new ATOM 0 HB THR A 14 5.975 6.784 -10.368 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.962 5.798 -12.259 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.907 4.490 -10.262 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.470 4.667 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.340 3.834 -10.794 1.00 0.00 H new ATOM 237 N LEU A 15 2.893 5.626 -8.880 1.00 0.00 N ATOM 238 CA LEU A 15 2.477 5.791 -7.501 1.00 0.00 C ATOM 239 C LEU A 15 2.684 4.514 -6.735 1.00 0.00 C ATOM 240 O LEU A 15 2.700 3.449 -7.342 1.00 0.00 O ATOM 241 CB LEU A 15 1.017 6.242 -7.422 1.00 0.00 C ATOM 242 CG LEU A 15 -0.057 5.244 -7.881 1.00 0.00 C ATOM 243 CD1 LEU A 15 -1.303 5.378 -7.011 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.470 5.502 -9.312 1.00 0.00 C ATOM 0 H LEU A 15 2.706 4.699 -9.261 1.00 0.00 H new ATOM 0 HA LEU A 15 3.093 6.568 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.804 6.514 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.912 7.148 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 15 0.373 4.246 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.058 4.666 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.045 5.173 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.697 6.391 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.231 4.779 -9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.875 6.510 -9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.397 5.402 -9.965 1.00 0.00 H new ATOM 256 N GLU A 16 2.778 4.615 -5.415 1.00 0.00 N ATOM 257 CA GLU A 16 3.020 3.469 -4.562 1.00 0.00 C ATOM 258 C GLU A 16 1.705 3.032 -3.946 1.00 0.00 C ATOM 259 O GLU A 16 0.917 3.836 -3.436 1.00 0.00 O ATOM 260 CB GLU A 16 4.095 3.770 -3.512 1.00 0.00 C ATOM 261 CG GLU A 16 5.484 3.675 -4.152 1.00 0.00 C ATOM 262 CD GLU A 16 6.597 3.923 -3.118 1.00 0.00 C ATOM 263 OE1 GLU A 16 6.981 5.097 -2.901 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.100 2.940 -2.521 1.00 0.00 O ATOM 0 H GLU A 16 2.688 5.497 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 16 3.413 2.643 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.943 4.766 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.016 3.065 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.614 2.689 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.565 4.404 -4.958 1.00 0.00 H new ATOM 271 N VAL A 17 1.465 1.736 -4.063 1.00 0.00 N ATOM 272 CA VAL A 17 0.213 1.046 -3.764 1.00 0.00 C ATOM 273 C VAL A 17 0.544 -0.343 -3.208 1.00 0.00 C ATOM 274 O VAL A 17 1.710 -0.702 -3.040 1.00 0.00 O ATOM 275 CB VAL A 17 -0.636 0.945 -5.056 1.00 0.00 C ATOM 276 CG1 VAL A 17 -0.946 2.305 -5.681 1.00 0.00 C ATOM 277 CG2 VAL A 17 0.051 0.071 -6.116 1.00 0.00 C ATOM 0 H VAL A 17 2.185 1.092 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.365 1.595 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.574 0.488 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.543 2.164 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.502 2.914 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.014 2.808 -5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.573 0.023 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.018 0.503 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.196 -0.934 -5.720 1.00 0.00 H new ATOM 287 N GLU A 18 -0.478 -1.174 -3.044 1.00 0.00 N ATOM 288 CA GLU A 18 -0.377 -2.595 -2.738 1.00 0.00 C ATOM 289 C GLU A 18 -1.344 -3.274 -3.709 1.00 0.00 C ATOM 290 O GLU A 18 -2.276 -2.607 -4.161 1.00 0.00 O ATOM 291 CB GLU A 18 -0.805 -2.877 -1.287 1.00 0.00 C ATOM 292 CG GLU A 18 -0.048 -2.064 -0.223 1.00 0.00 C ATOM 293 CD GLU A 18 1.489 -2.233 -0.237 1.00 0.00 C ATOM 294 OE1 GLU A 18 2.016 -3.248 -0.756 1.00 0.00 O ATOM 295 OE2 GLU A 18 2.191 -1.345 0.311 1.00 0.00 O ATOM 0 H GLU A 18 -1.445 -0.860 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 18 0.646 -2.958 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.871 -2.672 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.665 -3.938 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.283 -1.008 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.420 -2.348 0.761 1.00 0.00 H new ATOM 302 N PRO A 19 -1.209 -4.572 -4.034 1.00 0.00 N ATOM 303 CA PRO A 19 -2.200 -5.261 -4.853 1.00 0.00 C ATOM 304 C PRO A 19 -3.616 -5.125 -4.275 1.00 0.00 C ATOM 305 O PRO A 19 -4.569 -4.919 -5.018 1.00 0.00 O ATOM 306 CB PRO A 19 -1.741 -6.722 -4.951 1.00 0.00 C ATOM 307 CG PRO A 19 -0.268 -6.701 -4.548 1.00 0.00 C ATOM 308 CD PRO A 19 -0.124 -5.464 -3.662 1.00 0.00 C ATOM 0 HA PRO A 19 -2.264 -4.817 -5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.322 -7.364 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.868 -7.109 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.008 -7.608 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.381 -6.639 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.184 -5.731 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.843 -4.986 -3.815 1.00 0.00 H new ATOM 316 N SER A 20 -3.762 -5.124 -2.955 1.00 0.00 N ATOM 317 CA SER A 20 -5.055 -5.090 -2.288 1.00 0.00 C ATOM 318 C SER A 20 -5.443 -3.655 -1.972 1.00 0.00 C ATOM 319 O SER A 20 -6.405 -3.425 -1.235 1.00 0.00 O ATOM 320 CB SER A 20 -5.014 -5.973 -1.035 1.00 0.00 C ATOM 321 OG SER A 20 -4.520 -7.270 -1.352 1.00 0.00 O ATOM 0 H SER A 20 -2.972 -5.147 -2.310 1.00 0.00 H new ATOM 0 HA SER A 20 -5.824 -5.492 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.379 -5.511 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.013 -6.053 -0.607 1.00 0.00 H new ATOM 0 HG SER A 20 -4.499 -7.819 -0.541 1.00 0.00 H new ATOM 327 N ASP A 21 -4.709 -2.679 -2.519 1.00 0.00 N ATOM 328 CA ASP A 21 -5.147 -1.312 -2.444 1.00 0.00 C ATOM 329 C ASP A 21 -6.356 -1.163 -3.361 1.00 0.00 C ATOM 330 O ASP A 21 -6.389 -1.714 -4.475 1.00 0.00 O ATOM 331 CB ASP A 21 -4.041 -0.334 -2.837 1.00 0.00 C ATOM 332 CG ASP A 21 -4.328 1.096 -2.364 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.171 1.273 -1.457 1.00 0.00 O ATOM 334 OD2 ASP A 21 -3.648 2.029 -2.845 1.00 0.00 O ATOM 0 H ASP A 21 -3.825 -2.823 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.413 -1.071 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.095 -0.671 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.924 -0.339 -3.921 1.00 0.00 H new ATOM 339 N THR A 22 -7.375 -0.474 -2.866 1.00 0.00 N ATOM 340 CA THR A 22 -8.605 -0.266 -3.600 1.00 0.00 C ATOM 341 C THR A 22 -8.417 0.788 -4.667 1.00 0.00 C ATOM 342 O THR A 22 -7.687 1.766 -4.499 1.00 0.00 O ATOM 343 CB THR A 22 -9.793 0.113 -2.709 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.392 1.057 -1.726 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.390 -1.126 -2.049 1.00 0.00 C ATOM 0 H THR A 22 -7.367 -0.044 -1.941 1.00 0.00 H new ATOM 0 HA THR A 22 -8.844 -1.226 -4.058 1.00 0.00 H new ATOM 0 HB THR A 22 -10.561 0.568 -3.335 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.161 1.292 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.232 -0.834 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.734 -1.818 -2.818 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.632 -1.613 -1.436 1.00 0.00 H new ATOM 353 N ILE A 23 -9.167 0.620 -5.749 1.00 0.00 N ATOM 354 CA ILE A 23 -9.298 1.625 -6.794 1.00 0.00 C ATOM 355 C ILE A 23 -9.650 2.997 -6.205 1.00 0.00 C ATOM 356 O ILE A 23 -9.049 3.976 -6.633 1.00 0.00 O ATOM 357 CB ILE A 23 -10.347 1.162 -7.814 1.00 0.00 C ATOM 358 CG1 ILE A 23 -10.052 -0.222 -8.428 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.539 2.177 -8.955 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.588 -0.640 -8.572 1.00 0.00 C ATOM 0 H ILE A 23 -9.707 -0.227 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.341 1.739 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.266 1.084 -7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.557 -0.973 -7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.508 -0.254 -9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.291 1.804 -9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.868 3.131 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.595 2.316 -9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.535 -1.633 -9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.067 0.073 -9.212 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.116 -0.658 -7.590 1.00 0.00 H new ATOM 372 N GLU A 24 -10.560 3.093 -5.229 1.00 0.00 N ATOM 373 CA GLU A 24 -10.925 4.385 -4.644 1.00 0.00 C ATOM 374 C GLU A 24 -9.694 5.086 -4.066 1.00 0.00 C ATOM 375 O GLU A 24 -9.458 6.268 -4.317 1.00 0.00 O ATOM 376 CB GLU A 24 -11.985 4.177 -3.548 1.00 0.00 C ATOM 377 CG GLU A 24 -12.561 5.505 -3.038 1.00 0.00 C ATOM 378 CD GLU A 24 -13.641 5.256 -1.972 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.288 5.099 -0.778 1.00 0.00 O ATOM 380 OE2 GLU A 24 -14.847 5.227 -2.317 1.00 0.00 O ATOM 0 H GLU A 24 -11.054 2.295 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.339 5.020 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.793 3.559 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.541 3.632 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.762 6.116 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.987 6.066 -3.870 1.00 0.00 H new ATOM 387 N ASN A 25 -8.869 4.341 -3.329 1.00 0.00 N ATOM 388 CA ASN A 25 -7.708 4.918 -2.663 1.00 0.00 C ATOM 389 C ASN A 25 -6.596 5.211 -3.670 1.00 0.00 C ATOM 390 O ASN A 25 -5.904 6.218 -3.563 1.00 0.00 O ATOM 391 CB ASN A 25 -7.227 3.979 -1.561 1.00 0.00 C ATOM 392 CG ASN A 25 -6.106 4.598 -0.733 1.00 0.00 C ATOM 393 OD1 ASN A 25 -6.142 5.769 -0.365 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.100 3.816 -0.393 1.00 0.00 N ATOM 0 H ASN A 25 -8.986 3.339 -3.180 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.993 5.867 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.063 3.727 -0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.877 3.047 -2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.341 4.182 0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.081 2.845 -0.705 1.00 0.00 H new ATOM 401 N VAL A 26 -6.475 4.392 -4.713 1.00 0.00 N ATOM 402 CA VAL A 26 -5.590 4.628 -5.839 1.00 0.00 C ATOM 403 C VAL A 26 -5.995 5.938 -6.515 1.00 0.00 C ATOM 404 O VAL A 26 -5.154 6.822 -6.643 1.00 0.00 O ATOM 405 CB VAL A 26 -5.677 3.393 -6.750 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.113 3.634 -8.152 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.988 2.177 -6.113 1.00 0.00 C ATOM 0 H VAL A 26 -7.006 3.525 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.547 4.750 -5.549 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.742 3.187 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.205 2.723 -8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.669 4.437 -8.635 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.062 3.914 -8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.068 1.321 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.936 2.405 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.470 1.941 -5.164 1.00 0.00 H new ATOM 417 N LYS A 27 -7.266 6.134 -6.886 1.00 0.00 N ATOM 418 CA LYS A 27 -7.724 7.402 -7.457 1.00 0.00 C ATOM 419 C LYS A 27 -7.427 8.571 -6.520 1.00 0.00 C ATOM 420 O LYS A 27 -7.095 9.649 -7.007 1.00 0.00 O ATOM 421 CB LYS A 27 -9.248 7.404 -7.689 1.00 0.00 C ATOM 422 CG LYS A 27 -9.859 6.504 -8.773 1.00 0.00 C ATOM 423 CD LYS A 27 -11.357 6.862 -8.844 1.00 0.00 C ATOM 424 CE LYS A 27 -12.243 5.878 -9.613 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.666 6.336 -9.580 1.00 0.00 N ATOM 0 H LYS A 27 -7.996 5.427 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.191 7.512 -8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.721 7.139 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.540 8.429 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.374 6.671 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.723 5.451 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.739 6.947 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.455 7.845 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.902 5.799 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.162 4.884 -9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.276 5.606 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.954 6.503 -8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.759 7.218 -10.122 1.00 0.00 H new ATOM 439 N ALA A 28 -7.526 8.391 -5.202 1.00 0.00 N ATOM 440 CA ALA A 28 -7.212 9.457 -4.250 1.00 0.00 C ATOM 441 C ALA A 28 -5.722 9.798 -4.295 1.00 0.00 C ATOM 442 O ALA A 28 -5.353 10.962 -4.199 1.00 0.00 O ATOM 443 CB ALA A 28 -7.646 9.062 -2.835 1.00 0.00 C ATOM 0 H ALA A 28 -7.822 7.516 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.769 10.350 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.404 9.868 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.721 8.882 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.122 8.155 -2.534 1.00 0.00 H new ATOM 449 N LYS A 29 -4.849 8.817 -4.538 1.00 0.00 N ATOM 450 CA LYS A 29 -3.436 9.104 -4.799 1.00 0.00 C ATOM 451 C LYS A 29 -3.288 9.832 -6.126 1.00 0.00 C ATOM 452 O LYS A 29 -2.469 10.728 -6.237 1.00 0.00 O ATOM 453 CB LYS A 29 -2.608 7.820 -4.761 1.00 0.00 C ATOM 454 CG LYS A 29 -2.566 7.240 -3.341 1.00 0.00 C ATOM 455 CD LYS A 29 -1.968 5.830 -3.354 1.00 0.00 C ATOM 456 CE LYS A 29 -1.880 5.278 -1.922 1.00 0.00 C ATOM 457 NZ LYS A 29 -0.492 5.322 -1.379 1.00 0.00 N ATOM 0 H LYS A 29 -5.092 7.827 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.055 9.757 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.034 7.087 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.594 8.025 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.972 7.887 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.573 7.210 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.583 5.172 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.976 5.852 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.539 5.854 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.239 4.249 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.473 4.878 -0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.147 4.808 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.181 6.311 -1.301 1.00 0.00 H new ATOM 471 N ILE A 30 -4.113 9.547 -7.134 1.00 0.00 N ATOM 472 CA ILE A 30 -4.074 10.334 -8.372 1.00 0.00 C ATOM 473 C ILE A 30 -4.477 11.777 -8.086 1.00 0.00 C ATOM 474 O ILE A 30 -3.878 12.674 -8.634 1.00 0.00 O ATOM 475 CB ILE A 30 -4.944 9.735 -9.492 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.765 8.228 -9.707 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.651 10.459 -10.812 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.332 7.731 -9.738 1.00 0.00 C ATOM 0 H ILE A 30 -4.802 8.795 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.047 10.309 -8.736 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.975 9.879 -9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.295 7.701 -8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.245 7.955 -10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.267 10.034 -11.604 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.879 11.519 -10.704 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.598 10.338 -11.067 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.324 6.652 -9.895 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.795 8.220 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.846 7.963 -8.790 1.00 0.00 H new ATOM 490 N GLN A 31 -5.428 12.045 -7.208 1.00 0.00 N ATOM 491 CA GLN A 31 -5.786 13.391 -6.765 1.00 0.00 C ATOM 492 C GLN A 31 -4.573 14.072 -6.139 1.00 0.00 C ATOM 493 O GLN A 31 -4.340 15.248 -6.387 1.00 0.00 O ATOM 494 CB GLN A 31 -6.953 13.356 -5.771 1.00 0.00 C ATOM 495 CG GLN A 31 -7.540 14.743 -5.430 1.00 0.00 C ATOM 496 CD GLN A 31 -7.785 14.881 -3.926 1.00 0.00 C ATOM 497 OE1 GLN A 31 -6.872 15.175 -3.157 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.006 14.646 -3.468 1.00 0.00 N ATOM 0 H GLN A 31 -5.990 11.316 -6.769 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.107 13.964 -7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.745 12.730 -6.181 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.616 12.881 -4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.856 15.523 -5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.476 14.888 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.756 14.403 -4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.196 14.708 -2.468 1.00 0.00 H new ATOM 507 N ASP A 32 -3.760 13.331 -5.392 1.00 0.00 N ATOM 508 CA ASP A 32 -2.509 13.863 -4.862 1.00 0.00 C ATOM 509 C ASP A 32 -1.548 14.233 -5.998 1.00 0.00 C ATOM 510 O ASP A 32 -0.874 15.264 -5.917 1.00 0.00 O ATOM 511 CB ASP A 32 -1.836 12.885 -3.889 1.00 0.00 C ATOM 512 CG ASP A 32 -0.407 13.343 -3.538 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.252 14.146 -2.589 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.564 12.890 -4.195 1.00 0.00 O ATOM 0 H ASP A 32 -3.945 12.360 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.756 14.766 -4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.430 12.808 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.803 11.890 -4.334 1.00 0.00 H new ATOM 519 N LYS A 33 -1.502 13.442 -7.082 1.00 0.00 N ATOM 520 CA LYS A 33 -0.468 13.599 -8.094 1.00 0.00 C ATOM 521 C LYS A 33 -0.900 14.538 -9.230 1.00 0.00 C ATOM 522 O LYS A 33 -0.067 15.220 -9.826 1.00 0.00 O ATOM 523 CB LYS A 33 -0.079 12.208 -8.595 1.00 0.00 C ATOM 524 CG LYS A 33 0.251 11.183 -7.473 1.00 0.00 C ATOM 525 CD LYS A 33 1.702 10.678 -7.433 1.00 0.00 C ATOM 526 CE LYS A 33 2.738 11.796 -7.257 1.00 0.00 C ATOM 527 NZ LYS A 33 2.801 12.316 -5.857 1.00 0.00 N ATOM 0 H LYS A 33 -2.169 12.694 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 33 0.405 14.080 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.895 11.813 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.788 12.301 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.018 11.639 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.410 10.324 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.807 9.965 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.915 10.139 -8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.721 11.422 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.498 12.616 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.286 13.236 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.836 12.430 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.324 11.644 -5.260 1.00 0.00 H new ATOM 541 N GLU A 34 -2.207 14.609 -9.470 1.00 0.00 N ATOM 542 CA GLU A 34 -2.841 15.238 -10.622 1.00 0.00 C ATOM 543 C GLU A 34 -3.831 16.338 -10.238 1.00 0.00 C ATOM 544 O GLU A 34 -3.929 17.346 -10.940 1.00 0.00 O ATOM 545 CB GLU A 34 -3.582 14.138 -11.407 1.00 0.00 C ATOM 546 CG GLU A 34 -2.650 13.044 -11.942 1.00 0.00 C ATOM 547 CD GLU A 34 -1.387 13.600 -12.621 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.503 14.416 -13.568 1.00 0.00 O ATOM 549 OE2 GLU A 34 -0.271 13.207 -12.222 1.00 0.00 O ATOM 0 H GLU A 34 -2.889 14.206 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.064 15.715 -11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.332 13.683 -10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.114 14.593 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.355 12.393 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.197 12.428 -12.656 1.00 0.00 H new ATOM 556 N GLY A 35 -4.558 16.155 -9.135 1.00 0.00 N ATOM 557 CA GLY A 35 -5.454 17.158 -8.564 1.00 0.00 C ATOM 558 C GLY A 35 -6.929 16.833 -8.789 1.00 0.00 C ATOM 559 O GLY A 35 -7.777 17.687 -8.533 1.00 0.00 O ATOM 0 H GLY A 35 -4.539 15.285 -8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.264 17.240 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.230 18.130 -9.003 1.00 0.00 H new ATOM 563 N ILE A 36 -7.256 15.631 -9.286 1.00 0.00 N ATOM 564 CA ILE A 36 -8.605 15.308 -9.735 1.00 0.00 C ATOM 565 C ILE A 36 -9.301 14.511 -8.633 1.00 0.00 C ATOM 566 O ILE A 36 -8.759 13.474 -8.255 1.00 0.00 O ATOM 567 CB ILE A 36 -8.514 14.490 -11.037 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.724 15.260 -12.116 1.00 0.00 C ATOM 569 CG2 ILE A 36 -9.927 14.168 -11.557 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.411 14.371 -13.312 1.00 0.00 C ATOM 0 H ILE A 36 -6.592 14.863 -9.385 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.180 16.212 -9.935 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.988 13.561 -10.820 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.300 16.125 -12.444 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.796 15.639 -11.689 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.853 13.589 -12.478 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.467 13.590 -10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.463 15.097 -11.754 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.854 14.943 -14.054 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.813 13.520 -12.986 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.341 14.013 -13.753 1.00 0.00 H new ATOM 582 N PRO A 37 -10.486 14.907 -8.153 1.00 0.00 N ATOM 583 CA PRO A 37 -11.195 14.175 -7.114 1.00 0.00 C ATOM 584 C PRO A 37 -11.658 12.808 -7.616 1.00 0.00 C ATOM 585 O PRO A 37 -12.071 12.698 -8.768 1.00 0.00 O ATOM 586 CB PRO A 37 -12.373 15.057 -6.692 1.00 0.00 C ATOM 587 CG PRO A 37 -12.482 16.162 -7.743 1.00 0.00 C ATOM 588 CD PRO A 37 -11.267 16.019 -8.658 1.00 0.00 C ATOM 0 HA PRO A 37 -10.545 13.970 -6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.294 14.477 -6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.207 15.479 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.407 16.066 -8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.498 17.145 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.578 15.836 -9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.677 16.935 -8.661 1.00 0.00 H new ATOM 596 N PRO A 38 -11.655 11.765 -6.764 1.00 0.00 N ATOM 597 CA PRO A 38 -11.903 10.394 -7.205 1.00 0.00 C ATOM 598 C PRO A 38 -13.272 10.179 -7.806 1.00 0.00 C ATOM 599 O PRO A 38 -13.403 9.406 -8.748 1.00 0.00 O ATOM 600 CB PRO A 38 -11.739 9.520 -5.972 1.00 0.00 C ATOM 601 CG PRO A 38 -11.849 10.470 -4.782 1.00 0.00 C ATOM 602 CD PRO A 38 -11.326 11.789 -5.343 1.00 0.00 C ATOM 0 HA PRO A 38 -11.202 10.148 -8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.509 8.750 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.776 9.009 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.877 10.560 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.253 10.127 -3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.793 12.640 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.251 11.882 -5.190 1.00 0.00 H new ATOM 610 N ASP A 39 -14.282 10.882 -7.309 1.00 0.00 N ATOM 611 CA ASP A 39 -15.645 10.648 -7.769 1.00 0.00 C ATOM 612 C ASP A 39 -15.832 11.153 -9.198 1.00 0.00 C ATOM 613 O ASP A 39 -16.648 10.633 -9.954 1.00 0.00 O ATOM 614 CB ASP A 39 -16.625 11.317 -6.808 1.00 0.00 C ATOM 615 CG ASP A 39 -18.086 11.105 -7.240 1.00 0.00 C ATOM 616 OD1 ASP A 39 -18.492 9.935 -7.450 1.00 0.00 O ATOM 617 OD2 ASP A 39 -18.825 12.113 -7.337 1.00 0.00 O ATOM 0 H ASP A 39 -14.187 11.608 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 39 -15.842 9.576 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.481 10.916 -5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.412 12.385 -6.758 1.00 0.00 H new ATOM 622 N GLN A 40 -14.985 12.101 -9.608 1.00 0.00 N ATOM 623 CA GLN A 40 -14.988 12.720 -10.935 1.00 0.00 C ATOM 624 C GLN A 40 -14.002 12.007 -11.872 1.00 0.00 C ATOM 625 O GLN A 40 -13.957 12.290 -13.066 1.00 0.00 O ATOM 626 CB GLN A 40 -14.714 14.232 -10.711 1.00 0.00 C ATOM 627 CG GLN A 40 -14.128 15.019 -11.891 1.00 0.00 C ATOM 628 CD GLN A 40 -14.043 16.525 -11.612 1.00 0.00 C ATOM 629 OE1 GLN A 40 -12.974 17.057 -11.334 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.151 17.249 -11.686 1.00 0.00 N ATOM 0 H GLN A 40 -14.252 12.471 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.944 12.619 -11.448 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.651 14.706 -10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.032 14.331 -9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.132 14.639 -12.118 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.742 14.851 -12.776 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.038 16.802 -11.918 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.117 18.253 -11.511 1.00 0.00 H new ATOM 639 N GLN A 41 -13.242 11.035 -11.376 1.00 0.00 N ATOM 640 CA GLN A 41 -12.115 10.418 -12.049 1.00 0.00 C ATOM 641 C GLN A 41 -12.500 8.978 -12.361 1.00 0.00 C ATOM 642 O GLN A 41 -13.145 8.347 -11.529 1.00 0.00 O ATOM 643 CB GLN A 41 -11.002 10.502 -10.991 1.00 0.00 C ATOM 644 CG GLN A 41 -9.593 10.197 -11.476 1.00 0.00 C ATOM 645 CD GLN A 41 -8.637 9.897 -10.325 1.00 0.00 C ATOM 646 OE1 GLN A 41 -8.010 8.849 -10.317 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.524 10.752 -9.318 1.00 0.00 N ATOM 0 H GLN A 41 -13.407 10.641 -10.450 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.811 10.880 -12.988 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.009 11.505 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.244 9.811 -10.183 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.621 9.344 -12.154 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.216 11.046 -12.047 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.050 11.626 -9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.911 10.536 -8.532 1.00 0.00 H new ATOM 656 N ARG A 42 -12.078 8.409 -13.495 1.00 0.00 N ATOM 657 CA ARG A 42 -12.253 6.965 -13.747 1.00 0.00 C ATOM 658 C ARG A 42 -10.901 6.312 -13.947 1.00 0.00 C ATOM 659 O ARG A 42 -9.938 6.976 -14.309 1.00 0.00 O ATOM 660 CB ARG A 42 -13.184 6.704 -14.952 1.00 0.00 C ATOM 661 CG ARG A 42 -14.477 5.995 -14.533 1.00 0.00 C ATOM 662 CD ARG A 42 -15.598 6.101 -15.583 1.00 0.00 C ATOM 663 NE ARG A 42 -16.833 5.431 -15.106 1.00 0.00 N ATOM 664 CZ ARG A 42 -17.941 5.181 -15.825 1.00 0.00 C ATOM 665 NH1 ARG A 42 -18.002 5.501 -17.111 1.00 0.00 N ATOM 666 NH2 ARG A 42 -19.002 4.627 -15.253 1.00 0.00 N ATOM 0 H ARG A 42 -11.616 8.916 -14.250 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.733 6.520 -12.875 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.429 7.651 -15.433 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.660 6.097 -15.691 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.262 4.943 -14.346 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.828 6.420 -13.593 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.806 7.150 -15.794 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.271 5.647 -16.518 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.842 5.129 -14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.202 5.942 -17.565 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.849 5.306 -17.645 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.980 4.388 -14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.839 4.440 -15.805 1.00 0.00 H new ATOM 680 N LEU A 43 -10.870 4.995 -13.779 1.00 0.00 N ATOM 681 CA LEU A 43 -9.666 4.194 -13.896 1.00 0.00 C ATOM 682 C LEU A 43 -9.957 3.054 -14.844 1.00 0.00 C ATOM 683 O LEU A 43 -10.939 2.337 -14.682 1.00 0.00 O ATOM 684 CB LEU A 43 -9.252 3.679 -12.498 1.00 0.00 C ATOM 685 CG LEU A 43 -7.780 3.931 -12.162 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.432 5.430 -12.176 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.512 3.405 -10.748 1.00 0.00 C ATOM 0 H LEU A 43 -11.700 4.447 -13.553 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.837 4.782 -14.289 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.875 4.160 -11.744 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.451 2.609 -12.441 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.173 3.426 -12.914 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.378 5.561 -11.932 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.629 5.840 -13.167 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.042 5.952 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.467 3.575 -10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.152 3.928 -10.038 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.726 2.337 -10.711 1.00 0.00 H new ATOM 699 N ILE A 44 -9.101 2.896 -15.835 1.00 0.00 N ATOM 700 CA ILE A 44 -9.099 1.765 -16.767 1.00 0.00 C ATOM 701 C ILE A 44 -7.809 1.001 -16.586 1.00 0.00 C ATOM 702 O ILE A 44 -6.814 1.536 -16.109 1.00 0.00 O ATOM 703 CB ILE A 44 -9.351 2.266 -18.214 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.785 2.827 -18.246 1.00 0.00 C ATOM 705 CG2 ILE A 44 -9.242 1.217 -19.333 1.00 0.00 C ATOM 706 CD1 ILE A 44 -10.740 4.334 -18.324 1.00 0.00 C ATOM 0 H ILE A 44 -8.359 3.570 -16.027 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.913 1.071 -16.559 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.563 2.990 -18.422 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.324 2.425 -19.104 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.328 2.515 -17.354 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.439 1.690 -20.295 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.238 0.792 -19.336 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.971 0.425 -19.162 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.756 4.728 -18.347 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.217 4.728 -17.452 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.214 4.636 -19.230 1.00 0.00 H new ATOM 718 N PHE A 45 -7.829 -0.243 -17.031 1.00 0.00 N ATOM 719 CA PHE A 45 -6.663 -1.091 -17.107 1.00 0.00 C ATOM 720 C PHE A 45 -6.823 -1.950 -18.341 1.00 0.00 C ATOM 721 O PHE A 45 -7.868 -2.563 -18.493 1.00 0.00 O ATOM 722 CB PHE A 45 -6.669 -1.961 -15.854 1.00 0.00 C ATOM 723 CG PHE A 45 -5.613 -3.049 -15.843 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.262 -2.708 -16.028 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.979 -4.399 -15.688 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.271 -3.706 -16.021 1.00 0.00 C ATOM 727 CE2 PHE A 45 -4.987 -5.396 -15.664 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.634 -5.050 -15.821 1.00 0.00 C ATOM 0 H PHE A 45 -8.681 -0.699 -17.357 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.730 -0.531 -17.166 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.525 -1.323 -14.982 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.651 -2.423 -15.752 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.984 -1.675 -16.176 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.020 -4.669 -15.588 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.234 -3.441 -16.169 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.266 -6.430 -15.525 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.873 -5.816 -15.788 1.00 0.00 H new ATOM 738 N ALA A 46 -5.840 -1.956 -19.237 1.00 0.00 N ATOM 739 CA ALA A 46 -5.744 -2.893 -20.361 1.00 0.00 C ATOM 740 C ALA A 46 -7.044 -3.095 -21.162 1.00 0.00 C ATOM 741 O ALA A 46 -7.370 -4.198 -21.606 1.00 0.00 O ATOM 742 CB ALA A 46 -5.172 -4.204 -19.817 1.00 0.00 C ATOM 0 H ALA A 46 -5.066 -1.293 -19.204 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.079 -2.460 -21.108 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.086 -4.928 -20.628 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.187 -4.021 -19.388 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.835 -4.599 -19.047 1.00 0.00 H new ATOM 748 N GLY A 47 -7.774 -1.999 -21.337 1.00 0.00 N ATOM 749 CA GLY A 47 -8.990 -1.957 -22.139 1.00 0.00 C ATOM 750 C GLY A 47 -10.243 -2.317 -21.342 1.00 0.00 C ATOM 751 O GLY A 47 -11.251 -2.668 -21.953 1.00 0.00 O ATOM 0 H GLY A 47 -7.533 -1.101 -20.919 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.108 -0.958 -22.559 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.889 -2.645 -22.978 1.00 0.00 H new ATOM 755 N LYS A 48 -10.224 -2.224 -20.001 1.00 0.00 N ATOM 756 CA LYS A 48 -11.409 -2.467 -19.166 1.00 0.00 C ATOM 757 C LYS A 48 -11.412 -1.539 -17.965 1.00 0.00 C ATOM 758 O LYS A 48 -10.376 -1.278 -17.380 1.00 0.00 O ATOM 759 CB LYS A 48 -11.516 -3.960 -18.790 1.00 0.00 C ATOM 760 CG LYS A 48 -10.547 -4.477 -17.708 1.00 0.00 C ATOM 761 CD LYS A 48 -10.684 -5.984 -17.442 1.00 0.00 C ATOM 762 CE LYS A 48 -10.250 -6.836 -18.650 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.347 -8.298 -18.375 1.00 0.00 N ATOM 0 H LYS A 48 -9.389 -1.979 -19.469 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.308 -2.234 -19.737 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.535 -4.153 -18.454 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.362 -4.550 -19.694 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.523 -4.260 -18.013 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.725 -3.933 -16.780 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.080 -6.253 -16.575 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.720 -6.213 -17.193 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.873 -6.588 -19.509 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.223 -6.586 -18.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.045 -8.830 -19.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.733 -8.542 -17.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.331 -8.543 -18.145 1.00 0.00 H new ATOM 777 N GLN A 49 -12.550 -0.949 -17.655 1.00 0.00 N ATOM 778 CA GLN A 49 -12.718 -0.052 -16.521 1.00 0.00 C ATOM 779 C GLN A 49 -12.629 -0.852 -15.220 1.00 0.00 C ATOM 780 O GLN A 49 -13.016 -2.022 -15.176 1.00 0.00 O ATOM 781 CB GLN A 49 -14.096 0.616 -16.650 1.00 0.00 C ATOM 782 CG GLN A 49 -14.225 1.951 -15.899 1.00 0.00 C ATOM 783 CD GLN A 49 -15.684 2.197 -15.516 1.00 0.00 C ATOM 784 OE1 GLN A 49 -16.517 2.484 -16.367 1.00 0.00 O ATOM 785 NE2 GLN A 49 -16.019 2.064 -14.241 1.00 0.00 N ATOM 0 H GLN A 49 -13.405 -1.081 -18.195 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.937 0.709 -16.507 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.307 0.785 -17.706 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.856 -0.071 -16.279 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.603 1.936 -15.004 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.862 2.766 -16.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.309 1.824 -13.549 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.987 2.201 -13.951 1.00 0.00 H new ATOM 794 N LEU A 50 -12.176 -0.184 -14.158 1.00 0.00 N ATOM 795 CA LEU A 50 -12.225 -0.713 -12.796 1.00 0.00 C ATOM 796 C LEU A 50 -13.349 0.033 -12.067 1.00 0.00 C ATOM 797 O LEU A 50 -13.899 0.989 -12.620 1.00 0.00 O ATOM 798 CB LEU A 50 -10.853 -0.546 -12.103 1.00 0.00 C ATOM 799 CG LEU A 50 -9.592 -0.795 -12.956 1.00 0.00 C ATOM 800 CD1 LEU A 50 -8.345 -0.789 -12.070 1.00 0.00 C ATOM 801 CD2 LEU A 50 -9.639 -2.097 -13.760 1.00 0.00 C ATOM 0 H LEU A 50 -11.762 0.746 -14.220 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.435 -1.783 -12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.797 0.468 -11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.822 -1.224 -11.250 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.553 0.020 -13.678 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.462 -0.966 -12.684 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.255 0.178 -11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.428 -1.575 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.719 -2.203 -14.334 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.741 -2.942 -13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.491 -2.074 -14.440 1.00 0.00 H new ATOM 813 N GLU A 51 -13.663 -0.310 -10.819 1.00 0.00 N ATOM 814 CA GLU A 51 -14.603 0.469 -10.011 1.00 0.00 C ATOM 815 C GLU A 51 -14.045 0.645 -8.600 1.00 0.00 C ATOM 816 O GLU A 51 -13.203 -0.133 -8.164 1.00 0.00 O ATOM 817 CB GLU A 51 -16.037 -0.106 -10.084 1.00 0.00 C ATOM 818 CG GLU A 51 -16.162 -1.431 -9.336 1.00 0.00 C ATOM 819 CD GLU A 51 -17.501 -2.177 -9.488 1.00 0.00 C ATOM 820 OE1 GLU A 51 -18.537 -1.562 -9.846 1.00 0.00 O ATOM 821 OE2 GLU A 51 -17.519 -3.404 -9.215 1.00 0.00 O ATOM 0 H GLU A 51 -13.279 -1.126 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.705 1.473 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.738 0.615 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.316 -0.251 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.363 -2.091 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.994 -1.242 -8.276 1.00 0.00 H new ATOM 828 N ASP A 52 -14.514 1.678 -7.901 1.00 0.00 N ATOM 829 CA ASP A 52 -13.959 2.174 -6.638 1.00 0.00 C ATOM 830 C ASP A 52 -13.868 1.100 -5.563 1.00 0.00 C ATOM 831 O ASP A 52 -12.895 1.058 -4.810 1.00 0.00 O ATOM 832 CB ASP A 52 -14.807 3.354 -6.141 1.00 0.00 C ATOM 833 CG ASP A 52 -14.468 4.647 -6.885 1.00 0.00 C ATOM 834 OD1 ASP A 52 -13.298 5.079 -6.843 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.333 5.202 -7.603 1.00 0.00 O ATOM 0 H ASP A 52 -15.324 2.215 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.937 2.497 -6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.864 3.124 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.643 3.495 -5.073 1.00 0.00 H new ATOM 840 N GLY A 53 -14.859 0.208 -5.530 1.00 0.00 N ATOM 841 CA GLY A 53 -15.010 -0.810 -4.502 1.00 0.00 C ATOM 842 C GLY A 53 -14.111 -2.032 -4.689 1.00 0.00 C ATOM 843 O GLY A 53 -14.270 -3.017 -3.966 1.00 0.00 O ATOM 0 H GLY A 53 -15.594 0.177 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.798 -0.363 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.049 -1.138 -4.482 1.00 0.00 H new ATOM 847 N ARG A 54 -13.197 -2.006 -5.661 1.00 0.00 N ATOM 848 CA ARG A 54 -12.393 -3.155 -6.070 1.00 0.00 C ATOM 849 C ARG A 54 -10.930 -2.841 -5.845 1.00 0.00 C ATOM 850 O ARG A 54 -10.604 -1.733 -5.435 1.00 0.00 O ATOM 851 CB ARG A 54 -12.696 -3.445 -7.541 1.00 0.00 C ATOM 852 CG ARG A 54 -14.180 -3.705 -7.861 1.00 0.00 C ATOM 853 CD ARG A 54 -14.841 -4.942 -7.255 1.00 0.00 C ATOM 854 NE ARG A 54 -14.574 -6.140 -8.055 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.203 -6.529 -9.171 1.00 0.00 C ATOM 856 NH1 ARG A 54 -16.245 -5.859 -9.668 1.00 0.00 N ATOM 857 NH2 ARG A 54 -14.760 -7.611 -9.798 1.00 0.00 N ATOM 0 H ARG A 54 -12.992 -1.163 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.634 -4.041 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.353 -2.601 -8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.115 -4.314 -7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.748 -2.832 -7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.281 -3.770 -8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.473 -5.092 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.917 -4.783 -7.184 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.824 -6.747 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.586 -5.022 -9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.701 -6.184 -10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.960 -8.123 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.220 -7.931 -10.651 1.00 0.00 H new ATOM 871 N THR A 55 -10.034 -3.779 -6.120 1.00 0.00 N ATOM 872 CA THR A 55 -8.623 -3.624 -5.821 1.00 0.00 C ATOM 873 C THR A 55 -7.805 -3.982 -7.038 1.00 0.00 C ATOM 874 O THR A 55 -8.309 -4.572 -7.994 1.00 0.00 O ATOM 875 CB THR A 55 -8.246 -4.528 -4.650 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.650 -5.860 -4.904 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.857 -4.098 -3.325 1.00 0.00 C ATOM 0 H THR A 55 -10.269 -4.670 -6.558 1.00 0.00 H new ATOM 0 HA THR A 55 -8.420 -2.588 -5.550 1.00 0.00 H new ATOM 0 HB THR A 55 -7.162 -4.451 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.863 -6.444 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.545 -4.787 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.520 -3.091 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.944 -4.108 -3.405 1.00 0.00 H new ATOM 885 N LEU A 56 -6.518 -3.645 -6.995 1.00 0.00 N ATOM 886 CA LEU A 56 -5.622 -3.938 -8.115 1.00 0.00 C ATOM 887 C LEU A 56 -5.561 -5.452 -8.346 1.00 0.00 C ATOM 888 O LEU A 56 -5.650 -5.925 -9.477 1.00 0.00 O ATOM 889 CB LEU A 56 -4.233 -3.312 -7.862 1.00 0.00 C ATOM 890 CG LEU A 56 -4.269 -1.821 -7.493 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.854 -1.279 -7.349 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.984 -1.012 -8.579 1.00 0.00 C ATOM 0 H LEU A 56 -6.074 -3.174 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.007 -3.488 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.741 -3.861 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.622 -3.438 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.806 -1.726 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.894 -0.222 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.332 -1.827 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.321 -1.399 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.998 0.041 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.456 -1.128 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.007 -1.373 -8.687 1.00 0.00 H new ATOM 904 N SER A 57 -5.519 -6.208 -7.260 1.00 0.00 N ATOM 905 CA SER A 57 -5.572 -7.657 -7.232 1.00 0.00 C ATOM 906 C SER A 57 -6.868 -8.224 -7.805 1.00 0.00 C ATOM 907 O SER A 57 -6.825 -9.282 -8.433 1.00 0.00 O ATOM 908 CB SER A 57 -5.411 -8.119 -5.789 1.00 0.00 C ATOM 909 OG SER A 57 -6.245 -7.388 -4.897 1.00 0.00 O ATOM 0 H SER A 57 -5.443 -5.804 -6.327 1.00 0.00 H new ATOM 0 HA SER A 57 -4.764 -8.028 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.649 -9.180 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.370 -8.006 -5.486 1.00 0.00 H new ATOM 0 HG SER A 57 -6.113 -7.716 -3.983 1.00 0.00 H new ATOM 915 N ASP A 58 -8.003 -7.524 -7.662 1.00 0.00 N ATOM 916 CA ASP A 58 -9.270 -7.967 -8.249 1.00 0.00 C ATOM 917 C ASP A 58 -9.136 -8.035 -9.776 1.00 0.00 C ATOM 918 O ASP A 58 -9.731 -8.886 -10.441 1.00 0.00 O ATOM 919 CB ASP A 58 -10.393 -7.007 -7.849 1.00 0.00 C ATOM 920 CG ASP A 58 -11.774 -7.678 -7.924 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.195 -8.178 -8.989 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.500 -7.655 -6.905 1.00 0.00 O ATOM 0 H ASP A 58 -8.066 -6.648 -7.144 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.515 -8.961 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.219 -6.647 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.377 -6.136 -8.504 1.00 0.00 H new ATOM 927 N TYR A 59 -8.242 -7.193 -10.305 1.00 0.00 N ATOM 928 CA TYR A 59 -7.959 -7.047 -11.732 1.00 0.00 C ATOM 929 C TYR A 59 -6.613 -7.675 -12.113 1.00 0.00 C ATOM 930 O TYR A 59 -6.158 -7.543 -13.247 1.00 0.00 O ATOM 931 CB TYR A 59 -8.094 -5.568 -12.107 1.00 0.00 C ATOM 932 CG TYR A 59 -9.518 -5.069 -11.968 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.483 -5.467 -12.913 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.891 -4.261 -10.876 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.820 -5.064 -12.774 1.00 0.00 C ATOM 936 CE2 TYR A 59 -11.233 -3.888 -10.718 1.00 0.00 C ATOM 937 CZ TYR A 59 -12.208 -4.283 -11.660 1.00 0.00 C ATOM 938 OH TYR A 59 -13.498 -3.876 -11.497 1.00 0.00 O ATOM 0 H TYR A 59 -7.676 -6.572 -9.727 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.687 -7.604 -12.322 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.439 -4.973 -11.471 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.759 -5.423 -13.134 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.193 -6.086 -13.749 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.148 -3.931 -10.165 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.551 -5.349 -13.516 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.525 -3.292 -9.866 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.991 -4.549 -10.982 1.00 0.00 H new ATOM 948 N ASN A 60 -6.010 -8.412 -11.174 1.00 0.00 N ATOM 949 CA ASN A 60 -4.780 -9.194 -11.313 1.00 0.00 C ATOM 950 C ASN A 60 -3.554 -8.350 -11.688 1.00 0.00 C ATOM 951 O ASN A 60 -2.539 -8.871 -12.151 1.00 0.00 O ATOM 952 CB ASN A 60 -5.004 -10.397 -12.248 1.00 0.00 C ATOM 953 CG ASN A 60 -4.208 -11.604 -11.767 1.00 0.00 C ATOM 954 OD1 ASN A 60 -3.214 -12.014 -12.364 1.00 0.00 O ATOM 955 ND2 ASN A 60 -4.648 -12.196 -10.666 1.00 0.00 N ATOM 0 H ASN A 60 -6.396 -8.482 -10.233 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.536 -9.589 -10.327 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.065 -10.645 -12.283 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.703 -10.137 -13.263 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.160 -13.011 -10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.475 -11.836 -10.189 1.00 0.00 H new ATOM 962 N ILE A 61 -3.650 -7.038 -11.470 1.00 0.00 N ATOM 963 CA ILE A 61 -2.551 -6.089 -11.551 1.00 0.00 C ATOM 964 C ILE A 61 -1.557 -6.476 -10.451 1.00 0.00 C ATOM 965 O ILE A 61 -1.957 -6.913 -9.368 1.00 0.00 O ATOM 966 CB ILE A 61 -3.140 -4.678 -11.336 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.121 -4.279 -12.458 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.063 -3.583 -11.201 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.154 -3.260 -11.980 1.00 0.00 C ATOM 0 H ILE A 61 -4.534 -6.594 -11.222 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.037 -6.098 -12.512 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.679 -4.745 -10.391 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.563 -3.863 -13.297 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.633 -5.169 -12.826 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.544 -2.616 -11.052 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.423 -3.805 -10.347 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.460 -3.552 -12.108 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.824 -3.008 -12.802 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.731 -3.685 -11.159 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.645 -2.359 -11.637 1.00 0.00 H new ATOM 981 N GLN A 62 -0.268 -6.283 -10.712 1.00 0.00 N ATOM 982 CA GLN A 62 0.818 -6.491 -9.763 1.00 0.00 C ATOM 983 C GLN A 62 1.664 -5.210 -9.737 1.00 0.00 C ATOM 984 O GLN A 62 1.250 -4.171 -10.249 1.00 0.00 O ATOM 985 CB GLN A 62 1.622 -7.739 -10.191 1.00 0.00 C ATOM 986 CG GLN A 62 0.764 -9.013 -10.223 1.00 0.00 C ATOM 987 CD GLN A 62 0.453 -9.571 -8.830 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.206 -10.382 -8.291 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.644 -9.160 -8.204 1.00 0.00 N ATOM 0 H GLN A 62 0.060 -5.966 -11.624 1.00 0.00 H new ATOM 0 HA GLN A 62 0.456 -6.679 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.051 -7.569 -11.179 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.455 -7.884 -9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.172 -8.799 -10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.281 -9.776 -10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.266 -8.488 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.864 -9.516 -7.274 1.00 0.00 H new ATOM 998 N LYS A 63 2.837 -5.244 -9.107 1.00 0.00 N ATOM 999 CA LYS A 63 3.806 -4.165 -9.140 1.00 0.00 C ATOM 1000 C LYS A 63 4.243 -3.865 -10.561 1.00 0.00 C ATOM 1001 O LYS A 63 4.131 -4.704 -11.453 1.00 0.00 O ATOM 1002 CB LYS A 63 5.026 -4.553 -8.284 1.00 0.00 C ATOM 1003 CG LYS A 63 5.953 -5.592 -8.923 1.00 0.00 C ATOM 1004 CD LYS A 63 6.971 -6.091 -7.890 1.00 0.00 C ATOM 1005 CE LYS A 63 8.045 -6.947 -8.573 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.010 -7.535 -7.605 1.00 0.00 N ATOM 0 H LYS A 63 3.141 -6.042 -8.549 1.00 0.00 H new ATOM 0 HA LYS A 63 3.341 -3.266 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.604 -3.654 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.673 -4.940 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.368 -6.429 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.472 -5.153 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.437 -5.242 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.464 -6.676 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.563 -7.749 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.587 -6.336 -9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.714 -8.103 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.492 -6.772 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.500 -8.141 -6.931 1.00 0.00 H new ATOM 1020 N GLU A 64 4.825 -2.679 -10.688 1.00 0.00 N ATOM 1021 CA GLU A 64 5.412 -2.120 -11.894 1.00 0.00 C ATOM 1022 C GLU A 64 4.536 -2.454 -13.099 1.00 0.00 C ATOM 1023 O GLU A 64 4.987 -2.990 -14.117 1.00 0.00 O ATOM 1024 CB GLU A 64 6.894 -2.510 -12.002 1.00 0.00 C ATOM 1025 CG GLU A 64 7.667 -1.929 -10.814 1.00 0.00 C ATOM 1026 CD GLU A 64 9.192 -1.981 -11.000 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.757 -3.074 -11.252 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.830 -0.910 -10.850 1.00 0.00 O ATOM 0 H GLU A 64 4.903 -2.041 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 64 5.429 -1.031 -11.856 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.994 -3.595 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.311 -2.137 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.361 -0.894 -10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.399 -2.477 -9.911 1.00 0.00 H new ATOM 1035 N SER A 65 3.247 -2.160 -12.907 1.00 0.00 N ATOM 1036 CA SER A 65 2.206 -2.449 -13.888 1.00 0.00 C ATOM 1037 C SER A 65 1.498 -1.146 -14.212 1.00 0.00 C ATOM 1038 O SER A 65 1.445 -0.247 -13.375 1.00 0.00 O ATOM 1039 CB SER A 65 1.234 -3.504 -13.355 1.00 0.00 C ATOM 1040 OG SER A 65 1.862 -4.766 -13.187 1.00 0.00 O ATOM 0 H SER A 65 2.898 -1.712 -12.060 1.00 0.00 H new ATOM 0 HA SER A 65 2.643 -2.862 -14.797 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.825 -3.172 -12.401 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.395 -3.605 -14.043 1.00 0.00 H new ATOM 0 HG SER A 65 2.620 -4.675 -12.572 1.00 0.00 H new ATOM 1046 N THR A 66 0.954 -1.046 -15.415 1.00 0.00 N ATOM 1047 CA THR A 66 0.435 0.201 -15.962 1.00 0.00 C ATOM 1048 C THR A 66 -1.089 0.206 -15.887 1.00 0.00 C ATOM 1049 O THR A 66 -1.735 -0.825 -16.029 1.00 0.00 O ATOM 1050 CB THR A 66 0.962 0.402 -17.400 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.368 0.197 -17.410 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.682 1.793 -17.994 1.00 0.00 C ATOM 0 H THR A 66 0.859 -1.839 -16.049 1.00 0.00 H new ATOM 0 HA THR A 66 0.787 1.046 -15.370 1.00 0.00 H new ATOM 0 HB THR A 66 0.427 -0.320 -18.017 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.710 0.321 -18.320 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.086 1.845 -19.005 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.394 1.966 -18.024 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.155 2.555 -17.374 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.655 1.393 -15.681 1.00 0.00 N ATOM 1061 CA LEU A 67 -3.069 1.706 -15.549 1.00 0.00 C ATOM 1062 C LEU A 67 -3.406 2.899 -16.438 1.00 0.00 C ATOM 1063 O LEU A 67 -2.493 3.539 -16.954 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.299 2.079 -14.074 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.444 1.344 -13.404 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.103 -0.131 -13.239 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.690 1.948 -12.027 1.00 0.00 C ATOM 0 H LEU A 67 -1.081 2.232 -15.595 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.695 0.864 -15.845 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.383 1.882 -13.517 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.486 3.151 -14.010 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.334 1.439 -14.025 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.934 -0.645 -12.757 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.921 -0.574 -14.218 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.209 -0.231 -12.624 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.512 1.423 -11.541 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.789 1.851 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.945 3.003 -12.132 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.682 3.278 -16.535 1.00 0.00 N ATOM 1080 CA HIS A 68 -5.120 4.424 -17.339 1.00 0.00 C ATOM 1081 C HIS A 68 -5.975 5.356 -16.476 1.00 0.00 C ATOM 1082 O HIS A 68 -6.903 4.869 -15.834 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.923 3.886 -18.531 1.00 0.00 C ATOM 1084 CG HIS A 68 -5.085 3.558 -19.735 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -4.605 2.331 -20.133 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -4.722 4.456 -20.688 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.974 2.494 -21.308 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.006 3.783 -21.684 1.00 0.00 N ATOM 0 H HIS A 68 -5.444 2.798 -16.057 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.266 4.994 -17.704 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.460 2.990 -18.220 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.673 4.625 -18.814 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.710 1.453 -19.625 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.948 5.512 -20.678 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.507 1.700 -21.871 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.729 6.675 -16.469 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.567 7.650 -15.766 1.00 0.00 C ATOM 1097 C LEU A 69 -7.403 8.345 -16.810 1.00 0.00 C ATOM 1098 O LEU A 69 -6.836 8.814 -17.791 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.624 8.675 -15.100 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.118 9.997 -14.500 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -6.495 11.089 -15.506 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -7.253 9.776 -13.522 1.00 0.00 C ATOM 0 H LEU A 69 -4.937 7.095 -16.955 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.204 7.184 -15.014 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.108 8.146 -14.299 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.873 8.935 -15.846 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.242 10.381 -13.977 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.830 11.977 -14.970 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.626 11.338 -16.115 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.298 10.729 -16.150 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.577 10.735 -13.117 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.088 9.298 -14.035 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.913 9.135 -12.708 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.703 8.490 -16.564 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.569 9.332 -17.388 1.00 0.00 C ATOM 1116 C VAL A 70 -10.369 10.253 -16.483 1.00 0.00 C ATOM 1117 O VAL A 70 -10.491 10.024 -15.283 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.473 8.483 -18.309 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -9.704 7.364 -18.991 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.653 7.808 -17.613 1.00 0.00 C ATOM 0 H VAL A 70 -9.185 8.030 -15.792 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.957 9.943 -18.051 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.847 9.222 -19.018 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.380 6.794 -19.628 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.905 7.789 -19.598 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.275 6.705 -18.236 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.227 7.236 -18.342 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.283 7.138 -16.837 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.293 8.567 -17.163 1.00 0.00 H new ATOM 1130 N LEU A 71 -10.994 11.247 -17.094 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.877 12.184 -16.436 1.00 0.00 C ATOM 1132 C LEU A 71 -13.276 11.792 -16.855 1.00 0.00 C ATOM 1133 O LEU A 71 -13.575 11.775 -18.043 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.518 13.582 -16.956 1.00 0.00 C ATOM 1135 CG LEU A 71 -12.123 14.826 -16.289 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -13.433 15.209 -16.987 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -12.319 14.674 -14.778 1.00 0.00 C ATOM 0 H LEU A 71 -10.894 11.425 -18.093 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.795 12.180 -15.349 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.434 13.680 -16.902 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.789 13.615 -18.011 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.402 15.634 -16.408 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.856 16.092 -16.508 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.236 15.425 -18.037 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.140 14.383 -16.913 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.750 15.590 -14.373 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.991 13.839 -14.580 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.356 14.485 -14.303 1.00 0.00 H new ATOM 1149 N ARG A 72 -14.138 11.553 -15.880 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.555 11.256 -16.095 1.00 0.00 C ATOM 1151 C ARG A 72 -16.468 12.350 -15.570 1.00 0.00 C ATOM 1152 O ARG A 72 -17.658 12.119 -15.414 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.914 9.864 -15.551 1.00 0.00 C ATOM 1154 CG ARG A 72 -16.011 9.744 -14.010 1.00 0.00 C ATOM 1155 CD ARG A 72 -17.294 9.011 -13.601 1.00 0.00 C ATOM 1156 NE ARG A 72 -17.430 8.914 -12.132 1.00 0.00 N ATOM 1157 CZ ARG A 72 -18.296 8.148 -11.456 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -19.140 7.340 -12.092 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -18.314 8.206 -10.132 1.00 0.00 N ATOM 0 H ARG A 72 -13.872 11.559 -14.895 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.725 11.233 -17.171 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.870 9.563 -15.980 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.167 9.153 -15.905 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.143 9.208 -13.627 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.996 10.737 -13.562 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.158 9.534 -14.012 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.293 8.010 -14.032 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.799 9.490 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.134 7.297 -13.111 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.793 6.764 -11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.673 8.829 -9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.969 7.628 -9.605 1.00 0.00 H new ATOM 1331 N ILE B 683 -5.775 15.209 -21.803 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.284 14.159 -22.645 1.00 0.00 C ATOM 1333 C ILE B 683 -5.603 14.303 -24.020 1.00 0.00 C ATOM 1334 O ILE B 683 -5.461 15.417 -24.534 1.00 0.00 O ATOM 1335 CB ILE B 683 -7.820 14.286 -22.695 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -8.588 14.712 -21.401 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.366 12.941 -23.125 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -8.669 13.748 -20.204 1.00 0.00 C ATOM 0 HA ILE B 683 -6.063 13.160 -22.270 1.00 0.00 H new ATOM 0 HB ILE B 683 -7.992 15.116 -23.380 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.134 15.636 -21.043 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -9.610 14.952 -21.694 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.454 12.988 -23.173 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -7.970 12.685 -24.108 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -8.067 12.180 -22.404 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.239 14.213 -19.400 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.162 12.826 -20.512 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -7.663 13.521 -19.851 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.169 13.189 -24.615 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.394 13.097 -25.858 1.00 0.00 C ATOM 1352 C ASP B 684 -4.904 11.888 -26.659 1.00 0.00 C ATOM 1353 O ASP B 684 -5.114 10.826 -26.057 1.00 0.00 O ATOM 1354 CB ASP B 684 -2.887 12.906 -25.582 1.00 0.00 C ATOM 1355 CG ASP B 684 -2.113 12.703 -26.896 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -2.018 11.544 -27.370 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.609 13.706 -27.457 1.00 0.00 O ATOM 0 H ASP B 684 -5.361 12.269 -24.218 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.522 14.027 -26.412 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.496 13.776 -25.055 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -2.738 12.045 -24.930 1.00 0.00 H new ATOM 1362 N PRO B 685 -5.132 12.019 -27.980 1.00 0.00 N ATOM 1363 CA PRO B 685 -5.699 10.968 -28.817 1.00 0.00 C ATOM 1364 C PRO B 685 -5.116 9.564 -28.622 1.00 0.00 C ATOM 1365 O PRO B 685 -5.898 8.618 -28.565 1.00 0.00 O ATOM 1366 CB PRO B 685 -5.522 11.448 -30.258 1.00 0.00 C ATOM 1367 CG PRO B 685 -5.638 12.963 -30.124 1.00 0.00 C ATOM 1368 CD PRO B 685 -4.974 13.233 -28.776 1.00 0.00 C ATOM 0 HA PRO B 685 -6.742 10.828 -28.533 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -4.557 11.151 -30.668 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -6.288 11.040 -30.918 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -5.129 13.481 -30.937 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -6.677 13.292 -30.137 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -3.919 13.476 -28.906 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.439 14.085 -28.279 1.00 0.00 H new ATOM 1376 N GLN B 686 -3.792 9.394 -28.505 1.00 0.00 N ATOM 1377 CA GLN B 686 -3.192 8.058 -28.496 1.00 0.00 C ATOM 1378 C GLN B 686 -3.734 7.265 -27.307 1.00 0.00 C ATOM 1379 O GLN B 686 -4.294 6.178 -27.465 1.00 0.00 O ATOM 1380 CB GLN B 686 -1.653 8.162 -28.455 1.00 0.00 C ATOM 1381 CG GLN B 686 -0.942 6.821 -28.729 1.00 0.00 C ATOM 1382 CD GLN B 686 -1.049 5.777 -27.605 1.00 0.00 C ATOM 1383 OE1 GLN B 686 -0.896 6.086 -26.423 1.00 0.00 O ATOM 1384 NE2 GLN B 686 -1.324 4.530 -27.951 1.00 0.00 N ATOM 0 H GLN B 686 -3.123 10.159 -28.416 1.00 0.00 H new ATOM 0 HA GLN B 686 -3.459 7.530 -29.411 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -1.326 8.896 -29.192 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -1.347 8.534 -27.477 1.00 0.00 H new ATOM 0 HG2 GLN B 686 -1.354 6.391 -29.642 1.00 0.00 H new ATOM 0 HG3 GLN B 686 0.113 7.020 -28.918 1.00 0.00 H new ATOM 0 HE21 GLN B 686 -1.448 4.289 -28.934 1.00 0.00 H new ATOM 0 HE22 GLN B 686 -1.412 3.809 -27.234 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.603 7.832 -26.109 1.00 0.00 N ATOM 1394 CA VAL B 687 -4.037 7.156 -24.897 1.00 0.00 C ATOM 1395 C VAL B 687 -5.548 6.993 -24.909 1.00 0.00 C ATOM 1396 O VAL B 687 -6.111 6.012 -24.420 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.663 7.980 -23.666 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -3.827 7.069 -22.456 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.256 8.574 -23.721 1.00 0.00 C ATOM 0 H VAL B 687 -3.200 8.756 -25.956 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.548 6.183 -24.858 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.321 8.847 -23.611 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.570 7.618 -21.550 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -4.861 6.730 -22.393 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -3.168 6.207 -22.558 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -2.066 9.144 -22.812 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.525 7.770 -23.804 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -2.172 9.232 -24.586 1.00 0.00 H new ATOM 1409 N PHE B 688 -6.217 8.002 -25.438 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.647 8.075 -25.433 1.00 0.00 C ATOM 1411 C PHE B 688 -8.223 6.949 -26.303 1.00 0.00 C ATOM 1412 O PHE B 688 -9.221 6.344 -25.920 1.00 0.00 O ATOM 1413 CB PHE B 688 -7.980 9.497 -25.839 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.457 9.767 -26.085 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.438 9.357 -25.161 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -9.853 10.359 -27.300 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -11.805 9.531 -25.453 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -11.217 10.528 -27.597 1.00 0.00 C ATOM 1419 CZ PHE B 688 -12.192 10.110 -26.674 1.00 0.00 C ATOM 0 H PHE B 688 -5.766 8.799 -25.887 1.00 0.00 H new ATOM 0 HA PHE B 688 -8.114 7.897 -24.464 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -7.627 10.173 -25.060 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.426 9.739 -26.746 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -10.141 8.907 -24.225 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -9.105 10.685 -28.007 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.554 9.220 -24.740 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -11.515 10.978 -28.532 1.00 0.00 H new ATOM 0 HZ PHE B 688 -13.240 10.234 -26.904 1.00 0.00 H new ATOM 1429 N TYR B 689 -7.546 6.588 -27.396 1.00 0.00 N ATOM 1430 CA TYR B 689 -7.866 5.420 -28.204 1.00 0.00 C ATOM 1431 C TYR B 689 -7.402 4.106 -27.550 1.00 0.00 C ATOM 1432 O TYR B 689 -7.953 3.051 -27.874 1.00 0.00 O ATOM 1433 CB TYR B 689 -7.215 5.581 -29.586 1.00 0.00 C ATOM 1434 CG TYR B 689 -7.624 6.795 -30.416 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -8.872 7.439 -30.245 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -6.727 7.290 -31.388 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -9.202 8.567 -31.016 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -7.055 8.413 -32.168 1.00 0.00 C ATOM 1439 CZ TYR B 689 -8.297 9.062 -31.981 1.00 0.00 C ATOM 1440 OH TYR B 689 -8.639 10.155 -32.726 1.00 0.00 O ATOM 0 H TYR B 689 -6.745 7.113 -27.747 1.00 0.00 H new ATOM 0 HA TYR B 689 -8.950 5.359 -28.296 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -6.134 5.616 -29.448 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -7.433 4.686 -30.168 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -9.575 7.062 -29.518 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -5.776 6.799 -31.534 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -10.153 9.058 -30.870 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -6.359 8.779 -32.909 1.00 0.00 H new ATOM 0 HH TYR B 689 -7.910 10.371 -33.344 1.00 0.00 H new ATOM 1450 N GLU B 690 -6.400 4.130 -26.659 1.00 0.00 N ATOM 1451 CA GLU B 690 -5.903 2.943 -25.952 1.00 0.00 C ATOM 1452 C GLU B 690 -6.977 2.312 -25.042 1.00 0.00 C ATOM 1453 O GLU B 690 -7.082 1.085 -24.957 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.649 3.328 -25.144 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.727 2.143 -24.840 1.00 0.00 C ATOM 1456 CD GLU B 690 -2.949 1.692 -26.091 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -1.874 2.277 -26.371 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -3.398 0.749 -26.785 1.00 0.00 O ATOM 0 H GLU B 690 -5.906 4.986 -26.407 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.645 2.185 -26.691 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -4.088 4.081 -25.697 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -4.959 3.787 -24.205 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -3.024 2.421 -24.055 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -4.318 1.310 -24.459 1.00 0.00 H new ATOM 1465 N LEU B 691 -7.783 3.139 -24.370 1.00 0.00 N ATOM 1466 CA LEU B 691 -8.894 2.700 -23.509 1.00 0.00 C ATOM 1467 C LEU B 691 -10.100 2.240 -24.371 1.00 0.00 C ATOM 1468 O LEU B 691 -10.148 2.572 -25.553 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.190 3.841 -22.517 1.00 0.00 C ATOM 1470 CG LEU B 691 -10.194 4.903 -22.995 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -11.541 4.753 -22.290 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -9.646 6.272 -22.630 1.00 0.00 C ATOM 0 H LEU B 691 -7.683 4.153 -24.408 1.00 0.00 H new ATOM 0 HA LEU B 691 -8.639 1.819 -22.920 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -9.566 3.404 -21.592 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -8.251 4.339 -22.276 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.334 4.784 -24.069 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -12.228 5.519 -22.651 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -11.954 3.767 -22.501 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -11.403 4.866 -21.215 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -10.343 7.043 -22.960 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -9.519 6.337 -21.549 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -8.683 6.420 -23.118 1.00 0.00 H new ATOM 1484 N PRO B 692 -11.104 1.520 -23.831 1.00 0.00 N ATOM 1485 CA PRO B 692 -12.183 0.929 -24.635 1.00 0.00 C ATOM 1486 C PRO B 692 -13.108 1.994 -25.220 1.00 0.00 C ATOM 1487 O PRO B 692 -13.381 3.002 -24.568 1.00 0.00 O ATOM 1488 CB PRO B 692 -12.965 0.041 -23.658 1.00 0.00 C ATOM 1489 CG PRO B 692 -12.787 0.809 -22.353 1.00 0.00 C ATOM 1490 CD PRO B 692 -11.316 1.201 -22.428 1.00 0.00 C ATOM 0 HA PRO B 692 -11.779 0.377 -25.484 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -14.014 -0.056 -23.939 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -12.556 -0.968 -23.601 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -13.441 1.679 -22.297 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -13.003 0.191 -21.481 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -11.098 2.056 -21.788 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -10.669 0.386 -22.103 1.00 0.00 H new ATOM 1498 N GLU B 693 -13.698 1.743 -26.388 1.00 0.00 N ATOM 1499 CA GLU B 693 -14.585 2.711 -27.034 1.00 0.00 C ATOM 1500 C GLU B 693 -15.810 3.051 -26.192 1.00 0.00 C ATOM 1501 O GLU B 693 -16.324 4.157 -26.281 1.00 0.00 O ATOM 1502 CB GLU B 693 -15.005 2.243 -28.433 1.00 0.00 C ATOM 1503 CG GLU B 693 -15.901 0.994 -28.508 1.00 0.00 C ATOM 1504 CD GLU B 693 -16.623 0.923 -29.864 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -17.529 1.763 -30.096 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -16.293 0.038 -30.692 1.00 0.00 O ATOM 0 H GLU B 693 -13.577 0.874 -26.908 1.00 0.00 H new ATOM 0 HA GLU B 693 -14.004 3.628 -27.135 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -15.526 3.065 -28.924 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -14.102 2.048 -29.011 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -15.297 0.098 -28.365 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -16.634 1.017 -27.701 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.274 2.126 -25.356 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.478 2.304 -24.553 1.00 0.00 C ATOM 1515 C ALA B 694 -17.258 3.344 -23.449 1.00 0.00 C ATOM 1516 O ALA B 694 -18.042 4.280 -23.277 1.00 0.00 O ATOM 1517 CB ALA B 694 -17.803 0.934 -23.970 1.00 0.00 C ATOM 0 H ALA B 694 -15.820 1.224 -25.216 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.305 2.678 -25.157 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -18.700 1.004 -23.355 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -17.972 0.225 -24.780 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -16.969 0.592 -23.357 1.00 0.00 H new ATOM 1523 N VAL B 695 -16.128 3.231 -22.741 1.00 0.00 N ATOM 1524 CA VAL B 695 -15.775 4.224 -21.727 1.00 0.00 C ATOM 1525 C VAL B 695 -15.404 5.520 -22.447 1.00 0.00 C ATOM 1526 O VAL B 695 -15.742 6.590 -21.953 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.669 3.704 -20.785 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.408 4.684 -19.633 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -15.003 2.344 -20.150 1.00 0.00 C ATOM 0 H VAL B 695 -15.454 2.474 -22.850 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.624 4.422 -21.072 1.00 0.00 H new ATOM 0 HB VAL B 695 -13.790 3.599 -21.421 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -13.624 4.287 -18.988 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -14.093 5.646 -20.038 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.322 4.816 -19.053 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -14.185 2.035 -19.499 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -15.919 2.431 -19.565 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -15.143 1.600 -20.935 1.00 0.00 H new ATOM 1539 N GLN B 696 -14.790 5.453 -23.644 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.575 6.674 -24.423 1.00 0.00 C ATOM 1541 C GLN B 696 -15.915 7.349 -24.720 1.00 0.00 C ATOM 1542 O GLN B 696 -16.010 8.564 -24.624 1.00 0.00 O ATOM 1543 CB GLN B 696 -13.852 6.440 -25.758 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.397 5.974 -25.674 1.00 0.00 C ATOM 1545 CD GLN B 696 -11.883 5.619 -27.079 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -12.007 6.392 -28.027 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.371 4.413 -27.268 1.00 0.00 N ATOM 0 H GLN B 696 -14.447 4.595 -24.076 1.00 0.00 H new ATOM 0 HA GLN B 696 -13.935 7.306 -23.807 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.415 5.699 -26.326 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -13.881 7.368 -26.329 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -11.779 6.759 -25.238 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.320 5.106 -25.019 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.269 3.773 -26.480 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -11.079 4.124 -28.201 1.00 0.00 H new ATOM 1556 N LYS B 697 -16.955 6.570 -25.049 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.301 7.067 -25.329 1.00 0.00 C ATOM 1558 C LYS B 697 -18.819 7.883 -24.145 1.00 0.00 C ATOM 1559 O LYS B 697 -19.359 8.964 -24.366 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.257 5.898 -25.666 1.00 0.00 C ATOM 1561 CG LYS B 697 -20.098 6.115 -26.937 1.00 0.00 C ATOM 1562 CD LYS B 697 -19.771 5.138 -28.084 1.00 0.00 C ATOM 1563 CE LYS B 697 -18.350 5.318 -28.649 1.00 0.00 C ATOM 1564 NZ LYS B 697 -18.116 4.480 -29.863 1.00 0.00 N ATOM 0 H LYS B 697 -16.878 5.556 -25.128 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.259 7.721 -26.200 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -18.671 4.987 -25.783 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -19.929 5.738 -24.823 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -21.153 6.019 -26.682 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -19.947 7.135 -27.289 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -19.885 4.115 -27.725 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -20.494 5.276 -28.887 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -18.190 6.367 -28.897 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -17.620 5.057 -27.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -17.301 4.853 -30.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -17.923 3.499 -29.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -18.961 4.504 -30.469 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.599 7.409 -22.911 1.00 0.00 N ATOM 1579 CA GLU B 698 -18.961 8.181 -21.708 1.00 0.00 C ATOM 1580 C GLU B 698 -18.269 9.538 -21.766 1.00 0.00 C ATOM 1581 O GLU B 698 -18.902 10.588 -21.678 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.527 7.513 -20.376 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.663 7.524 -19.348 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.540 6.267 -19.450 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.509 6.259 -20.247 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.252 5.289 -18.719 1.00 0.00 O ATOM 0 H GLU B 698 -18.175 6.502 -22.717 1.00 0.00 H new ATOM 0 HA GLU B 698 -20.049 8.252 -21.713 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.217 6.486 -20.567 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.662 8.037 -19.970 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -19.244 7.594 -18.344 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -20.280 8.410 -19.498 1.00 0.00 H new ATOM 1593 N LEU B 699 -16.944 9.464 -21.907 1.00 0.00 N ATOM 1594 CA LEU B 699 -16.027 10.577 -21.796 1.00 0.00 C ATOM 1595 C LEU B 699 -16.398 11.634 -22.813 1.00 0.00 C ATOM 1596 O LEU B 699 -16.817 12.708 -22.421 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.602 10.039 -22.008 1.00 0.00 C ATOM 1598 CG LEU B 699 -13.853 9.555 -20.759 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.729 8.967 -19.645 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -12.836 8.509 -21.226 1.00 0.00 C ATOM 0 H LEU B 699 -16.470 8.584 -22.110 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.080 11.044 -20.812 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.653 9.212 -22.716 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -14.009 10.824 -22.477 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.392 10.430 -20.301 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -14.098 8.657 -18.812 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.438 9.721 -19.303 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.274 8.104 -20.028 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.278 8.135 -20.367 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.359 7.682 -21.706 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.146 8.964 -21.937 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.308 11.321 -24.104 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.534 12.283 -25.173 1.00 0.00 C ATOM 1614 C LEU B 700 -17.933 12.870 -25.118 1.00 0.00 C ATOM 1615 O LEU B 700 -18.073 14.061 -25.363 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.221 11.686 -26.554 1.00 0.00 C ATOM 1617 CG LEU B 700 -17.129 10.510 -26.959 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.268 10.946 -27.889 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -16.313 9.413 -27.652 1.00 0.00 C ATOM 0 H LEU B 700 -16.074 10.386 -24.437 1.00 0.00 H new ATOM 0 HA LEU B 700 -15.836 13.105 -25.014 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.308 12.472 -27.304 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.184 11.349 -26.564 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.568 10.125 -26.038 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -18.880 10.081 -28.146 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -18.885 11.690 -27.385 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -17.850 11.378 -28.799 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -16.972 8.591 -27.931 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -15.842 9.820 -28.547 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.544 9.047 -26.972 1.00 0.00 H new ATOM 1631 N ALA B 701 -18.958 12.072 -24.800 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.325 12.559 -24.826 1.00 0.00 C ATOM 1633 C ALA B 701 -20.500 13.611 -23.742 1.00 0.00 C ATOM 1634 O ALA B 701 -20.942 14.716 -24.040 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.289 11.389 -24.668 1.00 0.00 C ATOM 0 H ALA B 701 -18.860 11.095 -24.525 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.548 13.031 -25.783 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.315 11.757 -24.688 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.141 10.683 -25.485 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -21.101 10.889 -23.718 1.00 0.00 H new ATOM 1641 N GLU B 702 -20.076 13.313 -22.520 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.117 14.247 -21.416 1.00 0.00 C ATOM 1643 C GLU B 702 -19.188 15.425 -21.646 1.00 0.00 C ATOM 1644 O GLU B 702 -19.582 16.558 -21.370 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.691 13.534 -20.136 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.671 12.517 -19.579 1.00 0.00 C ATOM 1647 CD GLU B 702 -22.052 13.148 -19.325 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.269 13.737 -18.240 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -22.924 13.083 -20.226 1.00 0.00 O ATOM 0 H GLU B 702 -19.690 12.402 -22.271 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.137 14.621 -21.332 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.743 13.030 -20.324 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.505 14.287 -19.370 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -20.772 11.686 -20.277 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -20.281 12.105 -18.648 1.00 0.00 H new ATOM 1656 N TRP B 703 -17.974 15.191 -22.150 1.00 0.00 N ATOM 1657 CA TRP B 703 -17.000 16.251 -22.351 1.00 0.00 C ATOM 1658 C TRP B 703 -17.601 17.291 -23.313 1.00 0.00 C ATOM 1659 O TRP B 703 -17.554 18.492 -23.056 1.00 0.00 O ATOM 1660 CB TRP B 703 -15.686 15.694 -22.938 1.00 0.00 C ATOM 1661 CG TRP B 703 -14.777 14.761 -22.156 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.750 14.508 -20.821 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.738 13.888 -22.708 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.792 13.550 -20.533 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -13.076 13.192 -21.650 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.285 13.623 -24.016 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -12.004 12.307 -21.870 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.270 12.682 -24.256 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.642 12.017 -23.193 1.00 0.00 C ATOM 0 H TRP B 703 -17.646 14.266 -22.427 1.00 0.00 H new ATOM 0 HA TRP B 703 -16.768 16.710 -21.390 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -15.951 15.173 -23.858 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.081 16.555 -23.222 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.385 14.986 -20.089 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.637 13.158 -19.604 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -13.726 14.152 -24.848 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.474 11.863 -21.041 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -11.970 12.468 -25.271 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -10.878 11.280 -23.394 1.00 0.00 H new